Changeset 2cc1cb for tests/regression/Filling/SphericalSurface
- Timestamp:
- Jun 27, 2014, 11:45:15 AM (11 years ago)
- Branches:
- Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
- Children:
- 6d3cb8
- Parents:
- 1dbbeb
- git-author:
- Frederik Heber <heber@…> (06/24/14 21:29:38)
- git-committer:
- Frederik Heber <heber@…> (06/27/14 11:45:15)
- Location:
- tests/regression/Filling/SphericalSurface
- Files:
-
- 2 edited
-
post/tensid.data (modified) (1 diff)
-
testsuite-molecules-fill-spherical-surface.at (modified) (3 diffs)
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Filling/SphericalSurface/post/tensid.data
r1dbbeb r2cc1cb 1 1 # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge 2 2 # Box 20 0 0 0 20 0 0 0 20 3 1 NA SLES 1 4.02107 -4.48116 43.7702 NA 0 0 0 0 1 4 2 S SLES 1 2.20463 -1.46997 42.7784 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 2.90755 -2.54803 41.7055 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 1.26582 -2.23647 43.5712 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 3.27709 -0.982584 43.6203 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 1.5228 -0.350824 42.1483 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 2.50544 -2.22193 40.3083 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 1.38404 -2.19968 40.2127 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 2.91359 -1.20636 40.0469 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 3.11079 -3.32089 39.3125 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 2.77836 -4.3381 39.6232 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 4.22484 -3.2836 39.338 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 2.7762 -3.28401 37.8756 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 2.25049 -2.03999 37.367 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 1.32657 -1.92377 37.9668 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 3.00297 -1.2995 37.7203 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 1.92868 -1.78282 35.8612 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 0.871815 -2.05678 35.6513 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 2.06794 -0.706501 35.6359 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 2.5951 -2.48853 34.7654 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 2.71371 -1.72235 33.5113 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 2.08795 -0.818195 33.6212 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 3.78145 -1.42177 33.5407 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 2.39291 -2.42461 32.1328 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 2.06149 -3.46969 32.3245 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 3.32226 -2.46646 31.5236 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 1.25283 -1.65733 31.3022 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 0.299287 -2.2244 31.3887 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 1.09385 -0.655094 31.7477 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 1.61225 -1.48709 29.7679 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 1.04883 -2.24194 29.1806 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 2.69695 -1.68098 29.6235 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 1.26789 -0.0312294 29.2141 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 0.55459 0.462734 29.9103 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 2.20035 0.577798 29.1906 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 0.636498 -0.0569407 27.7712 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 -0.403207 -0.449052 27.837 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 0.585658 0.985902 27.3796 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 1.45011 -0.936645 26.7699 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 1.17526 -2.00436 26.9189 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 2.53573 -0.827612 26.9887 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 1.19198 -0.552239 25.2917 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 0.095189 -0.4404 25.1307 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 1.67255 0.430468 25.082 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 1.74403 -1.60753 24.3008 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 1.2852 -2.59606 24.5302 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 2.84446 -1.69835 24.4433 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 1.4543 -1.24774 22.8243 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 0.352407 -1.17976 22.676 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 1.89377 -0.24937 22.6003 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 2.03534 -2.29105 21.8334 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 1.58764 -3.28637 22.0571 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 3.1344 -2.36853 21.9978 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 1.77574 -1.94986 20.3432 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 1.19569 -2.7642 19.8556 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 2.73937 -1.82757 19.8011 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 1.19851 -1.00349 20.2576 HAL3 54 0 0 0 0.09 60 58 NA SLES 1 -3.44974 -6.19108 43.6102 NA 0 0 0 0 1 61 59 S SLES 1 -5.06533 -3.12802 42.4449 SL 60 61 62 63 1.33 62 60 OS1 SLES 1 -4.19357 -4.17039 41.4647 OSL 59 64 0 0 -0.28 63 61 OS2 SLES 1 -6.12647 -3.91596 43.037 O2L 59 0 0 0 -0.65 64 62 OS3 SLES 1 -4.1496 -2.68284 43.4744 O2L 59 0 0 0 -0.65 65 63 OS4 SLES 1 -5.62819 -1.97952 41.7531 O2L 59 0 0 0 -0.65 66 64 C2 SLES 1 -4.35283 -3.78741 40.0335 CC32A 60 65 66 67 -0.11 67 65 H2A SLES 1 -5.44186 -3.75152 39.7508 HCA2 64 0 0 0 0.09 68 66 H2B SLES 1 -3.90403 -2.76625 39.8849 HCA2 64 0 0 0 0.09 69 67 C1 SLES 1 -3.59032 -4.85275 39.1118 CC32A 64 68 69 70 -0.01 70 68 H1B SLES 1 -3.97285 -5.87812 39.3217 HCA2 67 0 0 0 0.09 71 69 H1A SLES 1 -2.49655 -4.82639 39.3266 HCA2 67 0 0 0 0.09 72 70 O1 SLES 1 -3.677 -4.75784 37.6417 OC30A 67 71 0 0 -0.34 73 71 C2 SLES 1 -4.10626 -3.49061 37.1009 CC32A 70 72 73 74 -0.01 74 72 H2A SLES 1 -5.11804 -3.38924 37.5401 HCA2 71 0 0 0 0.09 75 73 H2B SLES 1 -3.42266 -2.77094 37.605 HCA2 71 0 0 0 0.09 76 74 C1 SLES 1 -4.16817 -3.17306 35.5736 CC32A 71 75 76 77 -0.01 77 75 H1B SLES 1 -5.17495 -3.42935 35.1776 HCA2 74 0 0 0 0.09 78 76 H1A SLES 1 -3.99033 -2.09018 35.4175 HCA2 74 0 0 0 0.09 79 77 O1 SLES 1 -3.32766 -3.84217 34.5793 OC30A 74 78 0 0 -0.34 80 78 C1 SLES 1 -2.99688 -3.02957 33.3942 CTL2 77 79 80 81 -0.18 81 79 H11 SLES 1 -3.63015 -2.12475 33.4324 HAL2 78 0 0 0 0.09 82 80 H12 SLES 1 -1.94882 -2.73986 33.6154 HAL2 78 0 0 0 0.09 83 81 C2 SLES 1 -3.08155 -3.67559 31.9549 CTL2 78 82 83 84 -0.18 84 82 H21 SLES 1 -3.44303 -4.72427 32.0467 HAL2 81 0 0 0 0.09 85 83 H22 SLES 1 -2.06265 -3.70235 31.5103 HAL2 81 0 0 0 0.09 86 84 C3 SLES 1 -4.06296 -2.86692 30.9744 CTL2 81 85 86 87 -0.18 87 85 H31 SLES 1 -5.0187 -3.42837 30.8763 HAL2 84 0 0 0 0.09 88 86 H32 SLES 1 -4.29268 -1.88111 31.4257 HAL2 84 0 0 0 0.09 89 87 C4 SLES 1 -3.44884 -2.6412 29.5308 CTL2 84 88 89 90 -0.18 90 88 H41 SLES 1 -3.90656 -3.36795 28.8276 HAL2 87 0 0 0 0.09 91 89 H42 SLES 1 -2.35579 -2.83907 29.5641 HAL2 87 0 0 0 0.09 92 90 C5 SLES 1 -3.69123 -1.16218 28.9844 CTL2 87 91 92 93 -0.18 93 91 H51 SLES 1 -4.51085 -0.688925 29.569 HAL2 90 0 0 0 0.09 94 92 H52 SLES 1 -2.76684 -0.561033 29.1427 HAL2 90 0 0 0 0.09 95 93 C6 SLES 1 -4.06955 -1.12694 27.4557 CTL2 90 94 95 96 -0.18 96 94 H61 SLES 1 -5.10631 -1.51201 27.3295 HAL2 93 0 0 0 0.09 97 95 H62 SLES 1 -4.05103 -0.0694451 27.1024 HAL2 93 0 0 0 0.09 98 96 C7 SLES 1 -3.10036 -1.97484 26.5725 CTL2 93 97 98 99 -0.18 99 97 H71 SLES 1 -3.3989 -3.04499 26.6309 HAL2 96 0 0 0 0.09 100 98 H72 SLES 1 -2.06712 -1.88395 26.9756 HAL2 96 0 0 0 0.09 101 99 C8 SLES 1 -3.10388 -1.53178 25.0882 CTL2 96 100 101 102 -0.18 102 100 H81 SLES 1 -4.15738 -1.40408 24.7487 HAL2 99 0 0 0 0.09 103 101 H82 SLES 1 -2.59251 -0.546078 25.0014 HAL2 99 0 0 0 0.09 104 102 C9 SLES 1 -2.39463 -2.55319 24.164 CTL2 99 103 104 105 -0.18 105 103 H91 SLES 1 -2.88792 -3.54566 24.2737 HAL2 102 0 0 0 0.09 106 104 H92 SLES 1 -1.33435 -2.6592 24.4867 HAL2 102 0 0 0 0.09 107 105 C10 SLES 1 -2.42964 -2.13451 22.6751 CTL2 102 106 107 108 -0.18 108 106 H10 SLES 1 -3.49043 -2.05108 22.3457 HAL2 105 0 0 0 0.09 109 107 H10 SLES 1 -1.95633 -1.13224 22.568 HAL2 105 0 0 0 0.09 110 108 C11 SLES 1 -1.69179 -3.14421 21.7564 CTL2 105 109 110 111 -0.18 111 109 H11 SLES 1 -2.17316 -4.14334 21.862 HAL2 108 0 0 0 0.09 112 110 H11 SLES 1 -0.636544 -3.23773 22.1009 HAL2 108 0 0 0 0.09 113 111 C12 SLES 1 -1.69483 -2.74385 20.2583 CTL3 108 112 113 114 -0.27 114 112 H12 SLES 1 -2.18595 -3.53371 19.6482 HAL3 111 0 0 0 0.09 115 113 H12 SLES 1 -0.653139 -2.60947 19.8921 HAL3 111 0 0 0 0.09 116 114 H12 SLES 1 -2.2471 -1.7898 20.1137 HAL3 111 0 0 0 0.09 117 115 NA SLES 1 -5.70866 1.97152 43.7676 NA 0 0 0 0 1 118 116 S SLES 1 -7.21223 4.77986 41.978 SL 117 118 119 120 1.33 119 117 OS1 SLES 1 -6.3109 3.56819 41.2521 OSL 116 121 0 0 -0.28 120 118 OS2 SLES 1 -8.31463 4.12255 42.6489 O2L 116 0 0 0 -0.65 121 119 OS3 SLES 1 -6.34112 5.39999 42.9543 O2L 116 0 0 0 -0.65 122 120 OS4 SLES 1 -7.72053 5.7856 41.059 O2L 116 0 0 0 -0.65 123 121 C2 SLES 1 -6.39259 3.6823 39.7687 CC32A 117 122 123 124 -0.11 124 122 H2A SLES 1 -7.46553 3.67383 39.4282 HCA2 121 0 0 0 0.09 125 123 H2B SLES 1 -5.91967 4.65519 39.4587 HCA2 121 0 0 0 0.09 126 124 C1 SLES 1 -5.60365 2.45968 39.0989 CC32A 121 125 126 127 -0.01 127 125 H1B SLES 1 -6.0135 1.49344 39.4733 HCA2 124 0 0 0 0.09 128 126 H1A SLES 1 -4.52156 2.51679 39.3615 HCA2 124 0 0 0 0.09 129 127 O1 SLES 1 -5.61583 2.28291 37.6338 OC30A 124 128 0 0 -0.34 130 128 C2 SLES 1 -5.99617 3.43213 36.8482 CC32A 127 129 130 131 -0.01 131 129 H2A SLES 1 -7.02657 3.62036 37.2083 HCA2 128 0 0 0 0.09 132 130 H2B SLES 1 -5.32621 4.22708 37.2463 HCA2 128 0 0 0 0.09 133 131 C1 SLES 1 -5.977 3.46349 35.2874 CC32A 128 132 133 134 -0.01 134 132 H1B SLES 1 -6.96717 3.14636 34.8936 HCA2 131 0 0 0 0.09 135 133 H1A SLES 1 -5.77325 4.49772 34.9447 HCA2 131 0 0 0 0.09 136 134 O1 SLES 1 -5.09983 2.61634 34.4776 OC30A 131 135 0 0 -0.34 137 135 C1 SLES 1 -4.69703 3.19429 33.1824 CTL2 134 136 137 138 -0.18 138 136 H11 SLES 1 -5.31591 4.09546 33.021 HAL2 135 0 0 0 0.09 139 137 H12 SLES 1 -3.65641 3.51176 33.4005 HAL2 135 0 0 0 0.09 140 138 C2 SLES 1 -4.72134 2.29494 31.8836 CTL2 135 139 140 141 -0.18 141 139 H21 SLES 1 -5.10472 1.28389 32.1474 HAL2 138 0 0 0 0.09 142 140 H22 SLES 1 -3.68229 2.179 31.5048 HAL2 138 0 0 0 0.09 143 141 C3 SLES 1 -5.63912 2.91671 30.7219 CTL2 138 142 143 144 -0.18 144 142 H31 SLES 1 -6.59825 2.3541 30.6791 HAL2 141 0 0 0 0.09 145 143 H32 SLES 1 -5.87408 3.97048 30.9721 HAL2 141 0 0 0 0.09 146 144 C4 SLES 1 -4.95055 2.86805 29.2951 CTL2 141 145 146 147 -0.18 147 145 H41 SLES 1 -5.38522 2.02776 28.7145 HAL2 144 0 0 0 0.09 148 146 H42 SLES 1 -3.86402 2.67137 29.4208 HAL2 144 0 0 0 0.09 149 147 C5 SLES 1 -5.14039 4.22298 28.4748 CTL2 144 148 149 150 -0.18 150 148 H51 SLES 1 -5.97977 4.80201 28.9194 HAL2 147 0 0 0 0.09 151 149 H52 SLES 1 -4.21487 4.83592 28.5678 HAL2 147 0 0 0 0.09 152 150 C6 SLES 1 -5.44194 3.979 26.9481 CTL2 147 151 152 153 -0.18 153 151 H61 SLES 1 -6.47759 3.58521 26.8412 HAL2 150 0 0 0 0.09 154 152 H62 SLES 1 -5.38795 4.95319 26.4082 HAL2 150 0 0 0 0.09 155 153 C7 SLES 1 -4.44479 2.97561 26.2869 CTL2 150 154 155 156 -0.18 156 154 H71 SLES 1 -4.76404 1.93682 26.5251 HAL2 153 0 0 0 0.09 157 155 H72 SLES 1 -3.43138 3.13129 26.7194 HAL2 153 0 0 0 0.09 158 156 C8 SLES 1 -4.36731 3.13779 24.7483 CTL2 153 157 158 159 -0.18 159 157 H81 SLES 1 -5.40039 3.20883 24.3371 HAL2 156 0 0 0 0.09 160 158 H82 SLES 1 -3.83557 4.08673 24.5087 HAL2 156 0 0 0 0.09 161 159 C9 SLES 1 -3.63069 1.9583 24.0653 CTL2 156 160 161 162 -0.18 162 160 H91 SLES 1 -4.14562 1.00677 24.3295 HAL2 159 0 0 0 0.09 163 161 H92 SLES 1 -2.58963 1.90541 24.4563 HAL2 159 0 0 0 0.09 164 162 C10 SLES 1 -3.58484 2.09591 22.525 CTL2 159 163 164 165 -0.18 165 163 H10 SLES 1 -4.62645 2.12534 22.1314 HAL2 162 0 0 0 0.09 166 164 H10 SLES 1 -3.08981 3.05766 22.2604 HAL2 162 0 0 0 0.09 167 165 C11 SLES 1 -2.81972 0.928702 21.8467 CTL2 162 166 167 168 -0.18 168 166 H11 SLES 1 -3.32266 -0.0302035 22.1087 HAL2 165 0 0 0 0.09 169 167 H11 SLES 1 -1.78456 0.892162 22.2566 HAL2 165 0 0 0 0.09 170 168 C12 SLES 1 -2.7418 1.04637 20.3024 CTL3 165 169 170 171 -0.27 171 169 H12 SLES 1 -3.2155 0.161446 19.823 HAL3 168 0 0 0 0.09 172 170 H12 SLES 1 -1.68112 1.10306 19.9721 HAL3 168 0 0 0 0.09 173 171 H12 SLES 1 -3.26991 1.96167 19.9568 HAL3 168 0 0 0 0.09 174 172 NA SLES 1 1.17886 7.56311 43.5143 NA 0 0 0 0 1 175 173 S SLES 1 -0.563325 10.1665 41.6334 SL 174 175 176 177 1.33 176 174 OS1 SLES 1 0.205037 8.84975 40.9382 OSL 173 178 0 0 -0.28 177 175 OS2 SLES 1 -1.55298 9.62809 42.5434 O2L 173 0 0 0 -0.65 178 176 OS3 SLES 1 0.453617 10.8795 42.3777 O2L 173 0 0 0 -0.65 179 177 OS4 SLES 1 -1.20067 11.0633 40.6827 O2L 173 0 0 0 -0.65 180 178 C2 SLES 1 -0.105381 8.78035 39.4825 CC32A 174 179 180 181 -0.11 181 179 H2A SLES 1 -1.21823 8.75872 39.3143 HCA2 178 0 0 0 0.09 182 180 H2B SLES 1 0.320959 9.69381 38.9824 HCA2 178 0 0 0 0.09 183 181 C1 SLES 1 0.560597 7.46281 38.8609 CC32A 178 182 183 184 -0.01 184 182 H1B SLES 1 0.206622 6.56225 39.4136 HCA2 181 0 0 0 0.09 185 183 H1A SLES 1 1.67076 7.52274 38.9452 HCA2 181 0 0 0 0.09 186 184 O1 SLES 1 0.319496 7.1053 37.4495 OC30A 181 185 0 0 -0.34 187 185 C2 SLES 1 -0.169632 8.15761 36.5916 CC32A 184 186 187 188 -0.01 188 186 H2A SLES 1 -1.13007 8.41719 37.0784 HCA2 185 0 0 0 0.09 189 187 H2B SLES 1 0.560078 8.97746 36.7779 HCA2 185 0 0 0 0.09 190 188 C1 SLES 1 -0.393058 7.99376 35.0552 CC32A 185 189 190 191 -0.01 191 189 H1B SLES 1 -1.43476 7.6571 34.8614 HCA2 188 0 0 0 0.09 192 190 H1A SLES 1 -0.237234 8.97131 34.5565 HCA2 188 0 0 0 0.09 193 191 O1 SLES 1 0.341159 7.02879 34.2351 OC30A 188 192 0 0 -0.34 194 192 C1 SLES 1 0.542091 7.4297 32.8305 CTL2 191 193 194 195 -0.18 195 193 H11 SLES 1 -0.0875194 8.32025 32.6525 HAL2 192 0 0 0 0.09 196 194 H12 SLES 1 1.60635 7.74346 32.8444 HAL2 192 0 0 0 0.09 197 195 C2 SLES 1 0.309393 6.37656 31.6759 CTL2 192 196 197 198 -0.18 198 196 H21 SLES 1 -0.0359507 5.41707 32.1219 HAL2 195 0 0 0 0.09 199 197 H22 SLES 1 1.27603 6.18611 31.1603 HAL2 195 0 0 0 0.09 200 198 C3 SLES 1 -0.773068 6.8735 30.599 CTL2 195 199 200 201 -0.18 201 199 H31 SLES 1 -1.73142 6.33624 30.7757 HAL2 198 0 0 0 0.09 202 200 H32 SLES 1 -0.958301 7.95622 30.7461 HAL2 198 0 0 0 0.09 203 201 C4 SLES 1 -0.315031 6.62876 29.1015 CTL2 198 202 203 204 -0.18 204 202 H41 SLES 1 -0.841009 5.73483 28.7061 HAL2 201 0 0 0 0.09 205 203 H42 SLES 1 0.77631 6.41979 29.0832 HAL2 201 0 0 0 0.09 206 204 C5 SLES 1 -0.619813 7.87561 28.1543 CTL2 201 205 206 207 -0.18 207 205 H51 SLES 1 -1.37548 8.52813 28.6448 HAL2 204 0 0 0 0.09 208 206 H52 SLES 1 0.313523 8.46995 28.0255 HAL2 204 0 0 0 0.09 209 207 C6 SLES 1 -1.15684 7.45163 26.7354 CTL2 204 208 209 210 -0.18 210 208 H61 SLES 1 -2.19946 7.0759 26.8395 HAL2 207 0 0 0 0.09 211 209 H62 SLES 1 -1.18006 8.34914 26.074 HAL2 207 0 0 0 0.09 212 210 C7 SLES 1 -0.282211 6.34693 26.0624 CTL2 207 211 212 213 -0.18 213 211 H71 SLES 1 -0.568395 5.35498 26.477 HAL2 210 0 0 0 0.09 214 212 H72 SLES 1 0.787266 6.52766 26.3111 HAL2 210 0 0 0 0.09 215 213 C8 SLES 1 -0.443592 6.31401 24.5221 CTL2 210 214 215 216 -0.18 216 214 H81 SLES 1 -1.52747 6.36134 24.2684 HAL2 213 0 0 0 0.09 217 215 H82 SLES 1 0.0516128 7.2109 24.0851 HAL2 213 0 0 0 0.09 218 216 C9 SLES 1 0.168967 5.03902 23.89 CTL2 213 217 218 219 -0.18 219 217 H91 SLES 1 -0.305827 4.14219 24.3489 HAL2 216 0 0 0 0.09 220 218 H92 SLES 1 1.25772 5.00697 24.1205 HAL2 216 0 0 0 0.09 221 219 C10 SLES 1 -0.0241095 4.98239 22.3561 CTL2 216 220 221 222 -0.18 222 220 H10 SLES 1 -1.114 4.99087 22.1262 HAL2 219 0 0 0 0.09 223 221 H10 SLES 1 0.431033 5.88987 21.8986 HAL2 219 0 0 0 0.09 224 222 C11 SLES 1 0.617411 3.71939 21.7227 CTL2 219 223 224 225 -0.18 225 223 H11 SLES 1 0.154075 2.81464 22.1786 HAL2 222 0 0 0 0.09 226 224 H11 SLES 1 1.7034 3.70606 21.9704 HAL2 222 0 0 0 0.09 227 225 C12 SLES 1 0.45524 3.64161 20.1825 CTL3 222 226 227 228 -0.27 228 226 H12 SLES 1 -0.0938985 2.71706 19.8979 HAL3 225 0 0 0 0.09 229 227 H12 SLES 1 1.45209 3.62784 19.6891 HAL3 225 0 0 0 0.09 230 228 H12 SLES 1 -0.113235 4.52074 19.8082 HAL3 225 0 0 0 0.09 231 229 NA SLES 1 9.88637 4.83569 42.7897 NA 0 0 0 0 1 232 230 S SLES 1 7.88235 7.57771 41.4422 SL 231 232 233 234 1.33 233 231 OS1 SLES 1 8.46294 6.29456 40.5346 OSL 230 235 0 0 -0.28 234 232 OS2 SLES 1 7.07555 6.99977 42.497 O2L 230 0 0 0 -0.65 235 233 OS3 SLES 1 9.04471 8.2271 42.0113 O2L 230 0 0 0 -0.65 236 234 OS4 SLES 1 7.09625 8.54168 40.6891 O2L 230 0 0 0 -0.65 237 235 C2 SLES 1 7.87166 6.32031 39.1671 CC32A 231 236 237 238 -0.11 238 236 H2A SLES 1 6.74727 6.32674 39.2207 HCA2 235 0 0 0 0.09 239 237 H2B SLES 1 8.21694 7.25612 38.6462 HCA2 235 0 0 0 0.09 240 238 C1 SLES 1 8.36627 5.0334 38.3516 CC32A 235 239 240 241 -0.01 241 239 H1B SLES 1 8.10258 4.10607 38.9104 HCA2 238 0 0 0 0.09 242 240 H1A SLES 1 9.47266 5.07042 38.2187 HCA2 238 0 0 0 0.09 243 241 O1 SLES 1 7.84364 4.76779 36.9973 OC30A 238 242 0 0 -0.34 244 242 C2 SLES 1 7.22531 5.87879 36.3147 CC32A 241 243 244 245 -0.01 245 243 H2A SLES 1 6.38637 6.12291 36.9954 HCA2 242 0 0 0 0.09 246 244 H2B SLES 1 7.9998 6.67388 36.4004 HCA2 242 0 0 0 0.09 247 245 C1 SLES 1 6.70089 5.81391 34.8456 CC32A 242 246 247 248 -0.01 248 246 H1B SLES 1 5.63249 5.50641 34.8419 HCA2 245 0 0 0 0.09 249 247 H1A SLES 1 6.78304 6.81786 34.3831 HCA2 245 0 0 0 0.09 250 248 O1 SLES 1 7.23328 4.89005 33.8427 OC30A 245 249 0 0 -0.34 251 249 C1 SLES 1 7.16628 5.3739 32.4515 CTL2 248 250 251 252 -0.18 252 250 H11 SLES 1 6.5389 6.28361 32.4527 HAL2 249 0 0 0 0.09 253 251 H12 SLES 1 8.22094 5.66931 32.2734 HAL2 249 0 0 0 0.09 254 252 C2 SLES 1 6.68293 4.39806 31.3068 CTL2 249 253 254 255 -0.18 255 253 H21 SLES 1 6.40518 3.41838 31.7562 HAL2 252 0 0 0 0.09 256 254 H22 SLES 1 7.52421 4.22462 30.6006 HAL2 252 0 0 0 0.09 257 255 C3 SLES 1 5.42472 4.97777 30.4949 CTL2 252 256 257 258 -0.18 258 256 H31 SLES 1 4.50501 4.44583 30.8257 HAL2 255 0 0 0 0.09 259 257 H32 SLES 1 5.30192 6.05211 30.7376 HAL2 255 0 0 0 0.09 260 258 C4 SLES 1 5.57367 4.81897 28.9249 CTL2 255 259 260 261 -0.18 261 259 H41 SLES 1 4.9559 3.95966 28.5901 HAL2 258 0 0 0 0.09 262 260 H42 SLES 1 6.63408 4.59429 28.6798 HAL2 258 0 0 0 0.09 263 261 C5 SLES 1 5.12394 6.12672 28.1297 CTL2 258 262 263 264 -0.18 264 262 H51 SLES 1 4.49733 6.7595 28.7963 HAL2 261 0 0 0 0.09 265 263 H52 SLES 1 6.03008 6.71305 27.8539 HAL2 261 0 0 0 0.09 266 264 C6 SLES 1 4.30792 5.79992 26.8225 CTL2 261 265 266 267 -0.18 267 265 H61 SLES 1 3.29587 5.43502 27.1083 HAL2 264 0 0 0 0.09 268 266 H62 SLES 1 4.18049 6.7369 26.2315 HAL2 264 0 0 0 0.09 269 267 C7 SLES 1 5.00288 4.7253 25.9278 CTL2 264 268 269 270 -0.18 270 268 H71 SLES 1 4.77608 3.71425 26.3329 HAL2 267 0 0 0 0.09 271 269 H72 SLES 1 6.10496 4.87334 25.9709 HAL2 267 0 0 0 0.09 272 270 C8 SLES 1 4.54215 4.79034 24.4503 CTL2 267 271 272 273 -0.18 273 271 H81 SLES 1 3.43131 4.87043 24.4184 HAL2 270 0 0 0 0.09 274 272 H82 SLES 1 4.96683 5.70461 23.9766 HAL2 270 0 0 0 0.09 275 273 C9 SLES 1 4.98353 3.54738 23.6376 CTL2 270 274 275 276 -0.18 276 274 H91 SLES 1 4.58315 2.63148 24.1287 HAL2 273 0 0 0 0.09 277 275 H92 SLES 1 6.09501 3.48391 23.6466 HAL2 273 0 0 0 0.09 278 276 C10 SLES 1 4.49231 3.58886 22.1711 CTL2 273 277 278 279 -0.18 279 277 H10 SLES 1 3.37917 3.6288 22.1615 HAL2 276 0 0 0 0.09 280 278 H10 SLES 1 4.87399 4.5156 21.6859 HAL2 276 0 0 0 0.09 281 279 C11 SLES 1 4.96214 2.3575 21.352 CTL2 276 280 281 282 -0.18 282 280 H11 SLES 1 4.57219 1.4337 21.8375 HAL2 279 0 0 0 0.09 283 281 H11 SLES 1 6.07483 2.31167 21.3796 HAL2 279 0 0 0 0.09 284 282 C12 SLES 1 4.49941 2.37777 19.8722 CTL3 279 283 284 285 -0.27 285 283 H12 SLES 1 3.87978 1.48142 19.6486 HAL3 282 0 0 0 0.09 286 284 H12 SLES 1 5.37957 2.37879 19.192 HAL3 282 0 0 0 0.09 287 285 H12 SLES 1 3.89321 3.28727 19.6685 HAL3 282 0 0 0 0.09 288 286 NA SLES 1 13.4481 -3.75482 41.9181 NA 0 0 0 0 1 289 287 S SLES 1 11.4363 -0.768159 41.2993 SL 288 289 290 291 1.33 290 288 OS1 SLES 1 11.8984 -1.8603 40.1156 OSL 287 292 0 0 -0.28 291 289 OS2 SLES 1 10.6978 -1.52591 42.2881 O2L 287 0 0 0 -0.65 292 290 OS3 SLES 1 12.662 -0.262467 41.8813 O2L 287 0 0 0 -0.65 293 291 OS4 SLES 1 10.6254 0.337607 40.8155 O2L 287 0 0 0 -0.65 294 292 C2 SLES 1 11.2005 -1.55862 38.8342 CC32A 288 293 294 295 -0.11 295 293 H2A SLES 1 10.0849 -1.5429 38.9837 HCA2 292 0 0 0 0.09 296 294 H2B SLES 1 11.5343 -0.545616 38.4755 HCA2 292 0 0 0 0.09 297 295 C1 SLES 1 11.5842 -2.67085 37.7472 CC32A 292 296 297 298 -0.01 298 296 H1B SLES 1 11.335 -3.68437 38.1376 HCA2 295 0 0 0 0.09 299 297 H1A SLES 1 12.6769 -2.6282 37.5299 HCA2 295 0 0 0 0.09 300 298 O1 SLES 1 10.9458 -2.65869 36.4167 OC30A 295 299 0 0 -0.34 301 299 C2 SLES 1 10.3126 -1.42541 36.0158 CC32A 298 300 301 302 -0.01 302 300 H2A SLES 1 9.53978 -1.30361 36.7999 HCA2 299 0 0 0 0.09 303 301 H2B SLES 1 11.1179 -0.675967 36.1865 HCA2 299 0 0 0 0.09 304 302 C1 SLES 1 9.67003 -1.19405 34.6119 CC32A 299 303 304 305 -0.01 305 303 H1B SLES 1 8.59499 -1.47607 34.6404 HCA2 302 0 0 0 0.09 306 304 H1A SLES 1 9.7487 -0.120917 34.3459 HCA2 302 0 0 0 0.09 307 305 O1 SLES 1 10.0886 -1.91443 33.4083 OC30A 302 306 0 0 -0.34 308 306 C1 SLES 1 9.92653 -1.16812 32.1471 CTL2 305 307 308 309 -0.18 309 307 H11 SLES 1 9.33242 -0.265087 32.3767 HAL2 306 0 0 0 0.09 310 308 H12 SLES 1 10.9729 -0.862356 31.9398 HAL2 306 0 0 0 0.09 311 309 C2 SLES 1 9.32008 -1.89399 30.8816 CTL2 306 310 311 312 -0.18 312 310 H21 SLES 1 9.04631 -2.9373 31.1561 HAL2 309 0 0 0 0.09 313 311 H22 SLES 1 10.0956 -1.94156 30.086 HAL2 309 0 0 0 0.09 314 312 C3 SLES 1 8.02108 -1.14532 30.3067 CTL2 309 313 314 315 -0.18 315 313 H31 SLES 1 7.11344 -1.71514 30.6063 HAL2 312 0 0 0 0.09 316 314 H32 SLES 1 7.95459 -0.136723 30.7611 HAL2 312 0 0 0 0.09 317 315 C4 SLES 1 8.03803 -0.998312 28.7286 CTL2 312 316 317 318 -0.18 318 316 H41 SLES 1 7.36665 -1.76506 28.2887 HAL2 315 0 0 0 0.09 319 317 H42 SLES 1 9.06713 -1.18969 28.3553 HAL2 315 0 0 0 0.09 320 318 C5 SLES 1 7.57042 0.446854 28.2411 CTL2 315 319 320 321 -0.18 321 319 H51 SLES 1 7.02113 0.948839 29.068 HAL2 318 0 0 0 0.09 322 320 H52 SLES 1 8.47081 1.05956 28.007 HAL2 318 0 0 0 0.09 323 321 C6 SLES 1 6.64149 0.395008 26.97 CTL2 318 322 323 324 -0.18 324 322 H61 SLES 1 5.64388 -0.000601 27.2655 HAL2 321 0 0 0 0.09 325 323 H62 SLES 1 6.49879 1.43114 26.5833 HAL2 321 0 0 0 0.09 326 324 C7 SLES 1 7.2256 -0.497151 25.8293 CTL2 321 325 326 327 -0.18 327 325 H71 SLES 1 6.99797 -1.56353 26.0502 HAL2 324 0 0 0 0.09 328 326 H72 SLES 1 8.33195 -0.379774 25.8058 HAL2 324 0 0 0 0.09 329 327 C8 SLES 1 6.65019 -0.137851 24.4367 CTL2 324 328 329 330 -0.18 330 328 H81 SLES 1 5.54372 -0.0335032 24.5157 HAL2 327 0 0 0 0.09 331 329 H82 SLES 1 7.06616 0.84346 24.1133 HAL2 327 0 0 0 0.09 332 330 C9 SLES 1 6.98257 -1.20657 23.3654 CTL2 327 331 332 333 -0.18 333 331 H91 SLES 1 6.59215 -2.19328 23.7035 HAL2 330 0 0 0 0.09 334 332 H92 SLES 1 8.0884 -1.29018 23.2672 HAL2 330 0 0 0 0.09 335 333 C10 SLES 1 6.37688 -0.87199 21.9817 CTL2 330 334 335 336 -0.18 336 334 H10 SLES 1 5.26854 -0.81131 22.0749 HAL2 333 0 0 0 0.09 337 335 H10 SLES 1 6.7495 0.124567 21.653 HAL2 333 0 0 0 0.09 338 336 C11 SLES 1 6.73748 -1.9286 20.904 CTL2 333 337 338 339 -0.18 339 337 H11 SLES 1 6.35673 -2.92215 21.2341 HAL2 336 0 0 0 0.09 340 338 H11 SLES 1 7.8466 -1.99853 20.8272 HAL2 336 0 0 0 0.09 341 339 C12 SLES 1 6.15837 -1.61271 19.5006 CTL3 336 340 341 342 -0.27 342 340 H12 SLES 1 5.49282 -2.43739 19.1626 HAL3 339 0 0 0 0.09 343 341 H12 SLES 1 6.9806 -1.49492 18.7608 HAL3 339 0 0 0 0.09 344 342 H12 SLES 1 5.5689 -0.670426 19.5282 HAL3 339 0 0 0 0.09 345 343 NA SLES 1 9.76064 -12.457 41.2509 NA 0 0 0 0 1 346 344 S SLES 1 7.8725 -9.33328 41.0844 SL 345 346 347 348 1.33 347 345 OS1 SLES 1 8.41003 -10.187 39.7466 OSL 344 349 0 0 -0.28 348 346 OS2 SLES 1 7.03674 -10.2429 41.8405 O2L 344 0 0 0 -0.65 349 347 OS3 SLES 1 9.05477 -8.99894 41.8506 O2L 344 0 0 0 -0.65 350 348 OS4 SLES 1 7.12917 -8.12402 40.7688 O2L 344 0 0 0 -0.65 351 349 C2 SLES 1 7.82986 -9.61228 38.5002 CC32A 345 350 351 352 -0.11 352 350 H2A SLES 1 6.70619 -9.58435 38.5614 HCA2 349 0 0 0 0.09 353 351 H2B SLES 1 8.21435 -8.56173 38.3787 HCA2 349 0 0 0 0.09 354 352 C1 SLES 1 8.28069 -10.5018 37.2467 CC32A 349 353 354 355 -0.01 355 353 H1B SLES 1 7.9778 -11.5623 37.4059 HCA2 352 0 0 0 0.09 356 354 H1A SLES 1 9.3886 -10.4583 37.1293 HCA2 352 0 0 0 0.09 357 355 O1 SLES 1 7.7579 -10.2033 35.8993 OC30A 352 356 0 0 -0.34 358 356 C2 SLES 1 7.18734 -8.89216 35.7042 CC32A 355 357 358 359 -0.01 359 357 H2A SLES 1 6.35354 -8.89844 36.4333 HCA2 356 0 0 0 0.09 360 358 H2B SLES 1 7.99103 -8.22203 36.0842 HCA2 356 0 0 0 0.09 361 359 C1 SLES 1 6.67124 -8.36427 34.3286 CC32A 356 360 361 362 -0.01 362 360 H1B SLES 1 5.59192 -8.60562 34.2152 HCA2 359 0 0 0 0.09 363 361 H1A SLES 1 6.79497 -7.26348 34.2894 HCA2 359 0 0 0 0.09 364 362 O1 SLES 1 7.17502 -8.84823 33.0422 OC30A 359 363 0 0 -0.34 365 363 C1 SLES 1 7.13642 -7.86214 31.9467 CTL2 362 364 365 366 -0.18 366 364 H11 SLES 1 6.54428 -7.00044 32.3045 HAL2 363 0 0 0 0.09 367 365 H12 SLES 1 8.20283 -7.56115 31.8879 HAL2 363 0 0 0 0.09 368 366 C2 SLES 1 6.62424 -8.30062 30.5179 CTL2 363 367 368 369 -0.18 369 367 H21 SLES 1 6.30607 -9.36652 30.556 HAL2 366 0 0 0 0.09 370 368 H22 SLES 1 7.46326 -8.21947 29.7926 HAL2 366 0 0 0 0.09 371 369 C3 SLES 1 5.39488 -7.4048 30.0034 CTL2 366 370 371 372 -0.18 372 370 H31 SLES 1 4.4532 -7.98793 30.1106 HAL2 369 0 0 0 0.09 373 371 H32 SLES 1 5.31153 -6.50395 30.6435 HAL2 369 0 0 0 0.09 374 372 C4 SLES 1 5.54878 -6.95003 28.4929 CTL2 369 373 374 375 -0.18 375 373 H41 SLES 1 4.90099 -7.58904 27.8572 HAL2 372 0 0 0 0.09 376 374 H42 SLES 1 6.60154 -7.10263 28.1713 HAL2 372 0 0 0 0.09 377 375 C5 SLES 1 5.155 -5.42051 28.2686 CTL2 372 376 377 378 -0.18 378 376 H51 SLES 1 4.54833 -5.07123 29.1332 HAL2 375 0 0 0 0.09 379 377 H52 SLES 1 6.08483 -4.80803 28.2334 HAL2 375 0 0 0 0.09 380 378 C6 SLES 1 4.33637 -5.18545 26.9435 CTL2 375 379 380 381 -0.18 381 379 H61 SLES 1 3.30911 -5.59371 27.0744 HAL2 378 0 0 0 0.09 382 380 H62 SLES 1 4.24904 -4.08875 26.7616 HAL2 378 0 0 0 0.09 383 381 C7 SLES 1 4.99607 -5.85634 25.6973 CTL2 378 382 383 384 -0.18 384 382 H71 SLES 1 4.72792 -6.93598 25.682 HAL2 381 0 0 0 0.09 385 383 H72 SLES 1 6.10267 -5.77843 25.7851 HAL2 381 0 0 0 0.09 386 384 C8 SLES 1 4.54864 -5.20787 24.3636 CTL2 381 385 386 387 -0.18 387 385 H81 SLES 1 3.44192 -5.07953 24.3743 HAL2 384 0 0 0 0.09 388 386 H82 SLES 1 5.0113 -4.19842 24.2766 HAL2 384 0 0 0 0.09 389 387 C9 SLES 1 4.94793 -6.05592 23.13 CTL2 384 388 389 390 -0.18 390 388 H91 SLES 1 4.50936 -7.07452 23.2323 HAL2 387 0 0 0 0.09 391 389 H92 SLES 1 6.05608 -6.16013 23.1046 HAL2 387 0 0 0 0.09 392 390 C10 SLES 1 4.46905 -5.43229 21.7977 CTL2 387 391 392 393 -0.18 393 391 H10 SLES 1 3.35835 -5.34947 21.8134 HAL2 390 0 0 0 0.09 394 392 H10 SLES 1 4.8893 -4.40523 21.7051 HAL2 390 0 0 0 0.09 395 393 C11 SLES 1 4.89727 -6.26828 20.5625 CTL2 390 394 395 396 -0.18 396 394 H11 SLES 1 4.46886 -7.29237 20.6564 HAL2 393 0 0 0 0.09 397 395 H11 SLES 1 6.00716 -6.36344 20.561 HAL2 393 0 0 0 0.09 398 396 C12 SLES 1 4.44613 -5.66007 19.2093 CTL3 393 397 398 399 -0.27 399 397 H12 SLES 1 3.7943 -6.37615 18.6618 HAL3 396 0 0 0 0.09 400 398 H12 SLES 1 5.33049 -5.42968 18.5751 HAL3 396 0 0 0 0.09 401 399 H12 SLES 1 3.8766 -4.72023 19.378 HAL3 396 0 0 0 0.09 402 400 NA SLES 1 1.04409 -16.5187 40.9649 NA 0 0 0 0 1 403 401 S SLES 1 -0.698472 -13.3155 40.7335 SL 402 403 404 405 1.33 404 402 OS1 SLES 1 0.0745747 -14.0675 39.4512 OSL 401 406 0 0 -0.28 405 403 OS2 SLES 1 -1.68947 -14.2532 41.2195 O2L 401 0 0 0 -0.65 406 404 OS3 SLES 1 0.314921 -13.1018 41.7454 O2L 401 0 0 0 -0.65 407 405 OS4 SLES 1 -1.33512 -12.0524 40.3965 O2L 401 0 0 0 -0.65 408 406 C2 SLES 1 -0.231723 -13.3589 38.1766 CC32A 402 407 408 409 -0.11 409 407 H2A SLES 1 -1.34406 -13.289 38.0186 HCA2 406 0 0 0 0.09 410 408 H2B SLES 1 0.194041 -12.3189 38.2349 HCA2 406 0 0 0 0.09 411 409 C1 SLES 1 0.438742 -14.1504 36.956 CC32A 406 410 411 412 -0.01 412 410 H1B SLES 1 0.0851723 -15.2071 36.9496 HCA2 409 0 0 0 0.09 413 411 H1A SLES 1 1.54854 -14.1435 37.0631 HCA2 409 0 0 0 0.09 414 412 O1 SLES 1 0.202252 -13.71 35.5675 OC30A 409 413 0 0 -0.34 415 413 C2 SLES 1 -0.286765 -12.3637 35.3918 CC32A 412 414 415 416 -0.01 416 414 H2A SLES 1 -1.24908 -12.4002 35.939 HCA2 413 0 0 0 0.09 417 415 H2B SLES 1 0.440693 -11.7651 35.9849 HCA2 413 0 0 0 0.09 418 416 C1 SLES 1 -0.50565 -11.6928 33.9992 CC32A 413 417 418 419 -0.01 419 417 H1B SLES 1 -1.54611 -11.8771 33.6534 HCA2 416 0 0 0 0.09 420 418 H1A SLES 1 -0.35054 -10.5992 34.0914 HCA2 416 0 0 0 0.09 421 419 O1 SLES 1 0.232847 -12.08 32.796 OC30A 416 420 0 0 -0.34 422 420 C1 SLES 1 0.436759 -10.9987 31.8147 CTL2 419 421 422 423 -0.18 423 421 H11 SLES 1 -0.194251 -10.1483 32.1308 HAL2 420 0 0 0 0.09 424 422 H12 SLES 1 1.50031 -10.739 31.9956 HAL2 420 0 0 0 0.09 425 423 C2 SLES 1 0.209446 -11.2848 30.2776 CTL2 420 424 425 426 -0.18 426 424 H21 SLES 1 -0.135077 -12.3353 30.1494 HAL2 423 0 0 0 0.09 427 425 H22 SLES 1 1.17789 -11.1743 29.7423 HAL2 423 0 0 0 0.09 428 426 C3 SLES 1 -0.871125 -10.2951 29.6209 CTL2 423 427 428 429 -0.18 429 427 H31 SLES 1 -1.82881 -10.8451 29.4844 HAL2 426 0 0 0 0.09 430 428 H32 SLES 1 -1.05905 -9.45271 30.3161 HAL2 426 0 0 0 0.09 431 429 C4 SLES 1 -0.408486 -9.71321 28.221 CTL2 426 430 431 432 -0.18 432 430 H41 SLES 1 -0.931485 -10.2644 27.4118 HAL2 429 0 0 0 0.09 433 431 H42 SLES 1 0.683342 -9.88071 28.099 HAL2 429 0 0 0 0.09 434 432 C5 SLES 1 -0.713326 -8.15442 28.0726 CTL2 429 433 434 435 -0.18 435 433 H51 SLES 1 -1.47171 -7.85893 28.8308 HAL2 432 0 0 0 0.09 436 434 H52 SLES 1 0.219095 -7.58119 28.2798 HAL2 432 0 0 0 0.09 437 435 C6 SLES 1 -1.24558 -7.76667 26.6416 CTL2 432 436 437 438 -0.18 438 436 H61 SLES 1 -2.28768 -8.14118 26.5283 HAL2 435 0 0 0 0.09 439 437 H62 SLES 1 -1.2689 -6.65535 26.5528 HAL2 435 0 0 0 0.09 440 438 C7 SLES 1 -0.366777 -8.3501 25.4902 CTL2 435 439 440 441 -0.18 441 439 H71 SLES 1 -0.651986 -9.41166 25.3185 HAL2 438 0 0 0 0.09 442 440 H72 SLES 1 0.701632 -8.32733 25.8006 HAL2 438 0 0 0 0.09 443 441 C8 SLES 1 -0.523885 -7.56594 24.1636 CTL2 438 442 443 444 -0.18 444 442 H81 SLES 1 -1.60716 -7.39233 23.9692 HAL2 441 0 0 0 0.09 445 443 H82 SLES 1 -0.029393 -6.57326 24.2669 HAL2 441 0 0 0 0.09 446 444 C9 SLES 1 0.0930999 -8.31575 22.9563 CTL2 441 445 446 447 -0.18 447 445 H91 SLES 1 -0.38104 -9.31993 22.8717 HAL2 444 0 0 0 0.09 448 446 H92 SLES 1 1.18128 -8.4641 23.139 HAL2 444 0 0 0 0.09 449 447 C10 SLES 1 -0.0956706 -7.5551 21.6225 CTL2 444 448 449 450 -0.18 450 448 H10 SLES 1 -1.18494 -7.42706 21.4279 HAL2 447 0 0 0 0.09 451 449 H10 SLES 1 0.358793 -6.5426 21.7138 HAL2 447 0 0 0 0.09 452 450 C11 SLES 1 0.550253 -8.29399 20.4205 CTL2 447 451 452 453 -0.18 453 451 H11 SLES 1 0.0875952 -9.30331 20.3292 HAL2 450 0 0 0 0.09 454 452 H11 SLES 1 1.63559 -8.43556 20.6277 HAL2 450 0 0 0 0.09 455 453 C12 SLES 1 0.392451 -7.54799 19.0703 CTL3 450 454 455 456 -0.27 456 454 H12 SLES 1 -0.153947 -8.18367 18.339 HAL3 453 0 0 0 0.09 457 455 H12 SLES 1 1.39067 -7.29915 18.6472 HAL3 453 0 0 0 0.09 458 456 H12 SLES 1 -0.176865 -6.60385 19.2138 HAL3 453 0 0 0 0.09 459 457 NA SLES 1 -8.45055 -14.0612 41.0238 NA 0 0 0 0 1 460 458 S SLES 1 -9.96544 -10.8262 40.2554 SL 459 460 461 462 1.33 461 459 OS1 SLES 1 -8.96854 -11.6767 39.2112 OSL 458 463 0 0 -0.28 462 460 OS2 SLES 1 -11.0764 -11.7026 40.5637 O2L 458 0 0 0 -0.65 463 461 OS3 SLES 1 -9.18395 -10.5832 41.4499 O2L 458 0 0 0 -0.65 464 462 OS4 SLES 1 -10.4609 -9.56679 39.7236 O2L 458 0 0 0 -0.65 465 463 C2 SLES 1 -8.96456 -11.0367 37.8655 CC32A 459 464 465 466 -0.11 466 464 H2A SLES 1 -10.0133 -10.9427 37.4674 HCA2 463 0 0 0 0.09 467 465 H2B SLES 1 -8.51731 -10.0085 37.9603 HCA2 463 0 0 0 0.09 468 466 C1 SLES 1 -8.08266 -11.9198 36.8614 CC32A 463 467 468 469 -0.01 469 467 H1B SLES 1 -8.47124 -12.9638 36.8336 HCA2 466 0 0 0 0.09 470 468 H1A SLES 1 -7.02222 -11.9402 37.2052 HCA2 466 0 0 0 0.09 471 469 O1 SLES 1 -7.99756 -11.5564 35.4336 OC30A 466 470 0 0 -0.34 472 470 C2 SLES 1 -8.37995 -10.2088 35.0867 CC32A 469 471 472 473 -0.01 473 471 H2A SLES 1 -9.43775 -10.1832 35.4142 HCA2 470 0 0 0 0.09 474 472 H2B SLES 1 -7.77152 -9.59806 35.7912 HCA2 470 0 0 0 0.09 475 473 C1 SLES 1 -8.267 -9.61613 33.6468 CC32A 470 474 475 476 -0.01 476 474 H1B SLES 1 -9.21622 -9.78909 33.0944 HCA2 473 0 0 0 0.09 477 475 H1A SLES 1 -8.08888 -8.52414 33.7135 HCA2 473 0 0 0 0.09 478 476 O1 SLES 1 -7.30526 -10.0969 32.6535 OC30A 473 477 0 0 -0.34 479 477 C1 SLES 1 -6.85027 -9.08286 31.6845 CTL2 476 478 479 480 -0.18 480 478 H11 SLES 1 -7.49759 -8.19639 31.8123 HAL2 477 0 0 0 0.09 481 479 H12 SLES 1 -5.84004 -8.84525 32.0773 HAL2 477 0 0 0 0.09 482 480 C2 SLES 1 -6.7553 -9.45344 30.1516 CTL2 477 481 482 483 -0.18 483 481 H21 SLES 1 -7.10874 -10.4989 30.0067 HAL2 480 0 0 0 0.09 484 482 H22 SLES 1 -5.69094 -9.40465 29.8333 HAL2 480 0 0 0 0.09 485 483 C3 SLES 1 -7.62721 -8.47248 29.2264 CTL2 480 484 485 486 -0.18 486 484 H31 SLES 1 -8.55598 -9.00035 28.915 HAL2 483 0 0 0 0.09 487 485 H32 SLES 1 -7.92359 -7.58471 29.8199 HAL2 483 0 0 0 0.09 488 486 C4 SLES 1 -6.85138 -7.98975 27.9313 CTL2 483 487 488 489 -0.18 489 487 H41 SLES 1 -7.21204 -8.57232 27.058 HAL2 486 0 0 0 0.09 490 488 H42 SLES 1 -5.76687 -8.1973 28.057 HAL2 486 0 0 0 0.09 491 489 C5 SLES 1 -7.05085 -6.43412 27.6398 CTL2 486 490 491 492 -0.18 492 490 H51 SLES 1 -7.94068 -6.0709 28.1999 HAL2 489 0 0 0 0.09 493 491 H52 SLES 1 -6.16088 -5.87806 28.0136 HAL2 489 0 0 0 0.09 494 492 C6 SLES 1 -7.24753 -6.11675 26.1095 CTL2 489 493 494 495 -0.18 495 493 H61 SLES 1 -8.25621 -6.46558 25.7933 HAL2 492 0 0 0 0.09 496 494 H62 SLES 1 -7.20405 -5.01254 25.9602 HAL2 492 0 0 0 0.09 497 495 C7 SLES 1 -6.1683 -6.79444 25.2071 CTL2 492 496 497 498 -0.18 498 496 H71 SLES 1 -6.455 -7.85523 25.0331 HAL2 495 0 0 0 0.09 499 497 H72 SLES 1 -5.19109 -6.78555 25.7394 HAL2 495 0 0 0 0.09 500 498 C8 SLES 1 -6.00436 -6.08668 23.839 CTL2 495 499 500 501 -0.18 501 499 H81 SLES 1 -7.01256 -5.89224 23.4064 HAL2 498 0 0 0 0.09 502 500 H82 SLES 1 -5.5017 -5.10505 23.995 HAL2 498 0 0 0 0.09 503 501 C9 SLES 1 -5.17574 -6.92578 22.8342 CTL2 498 502 503 504 -0.18 504 502 H91 SLES 1 -5.66303 -7.91838 22.7014 HAL2 501 0 0 0 0.09 505 503 H92 SLES 1 -4.15917 -7.09587 23.2551 HAL2 501 0 0 0 0.09 506 504 C10 SLES 1 -5.04216 -6.24095 21.4534 CTL2 501 505 506 507 -0.18 507 505 H10 SLES 1 -6.05809 -6.09181 21.0216 HAL2 504 0 0 0 0.09 508 506 H10 SLES 1 -4.57514 -5.23906 21.588 HAL2 504 0 0 0 0.09 509 507 C11 SLES 1 -4.18596 -7.06972 20.4594 CTL2 504 508 509 510 -0.18 510 508 H11 SLES 1 -4.66083 -8.06819 20.3228 HAL2 507 0 0 0 0.09 511 509 H11 SLES 1 -3.17714 -7.23149 20.9033 HAL2 507 0 0 0 0.09 512 510 C12 SLES 1 -4.01927 -6.40142 19.0701 CTL3 507 511 512 513 -0.27 513 511 H12 SLES 1 -4.42303 -7.06287 18.2721 HAL3 510 0 0 0 0.09 514 512 H12 SLES 1 -2.94398 -6.20875 18.8604 HAL3 510 0 0 0 0.09 515 513 H12 SLES 1 -4.56546 -5.43355 19.038 HAL3 510 0 0 0 0.09 516 514 NA SLES 1 -14.6026 -6.15921 41.2421 NA 0 0 0 0 1 517 515 S SLES 1 -15.8297 -3.07695 39.711 SL 516 517 518 519 1.33 518 516 OS1 SLES 1 -14.7475 -4.12938 38.9841 OSL 515 520 0 0 -0.28 519 517 OS2 SLES 1 -17.0163 -3.85238 40.0083 O2L 515 0 0 0 -0.65 520 518 OS3 SLES 1 -15.204 -2.64289 40.9425 O2L 515 0 0 0 -0.65 521 519 OS4 SLES 1 -16.183 -1.92171 38.9016 O2L 515 0 0 0 -0.65 522 520 C2 SLES 1 -14.5295 -3.74422 37.5612 CC32A 516 521 522 523 -0.11 523 521 H2A SLES 1 -15.509 -3.69536 37.0086 HCA2 520 0 0 0 0.09 524 522 H2B SLES 1 -14.046 -2.72843 37.5362 HCA2 520 0 0 0 0.09 525 523 C1 SLES 1 -13.5681 -4.81833 36.8628 CC32A 520 524 525 526 -0.01 526 524 H1B SLES 1 -14.0034 -5.83914 36.9641 HCA2 523 0 0 0 0.09 527 525 H1A SLES 1 -12.5659 -4.80499 37.3513 HCA2 523 0 0 0 0.09 528 526 O1 SLES 1 -13.2733 -4.72208 35.42 OC30A 523 527 0 0 -0.34 529 527 C2 SLES 1 -13.5348 -3.44973 34.7912 CC32A 526 528 529 530 -0.01 530 528 H2A SLES 1 -14.6242 -3.33646 34.9562 HCA2 527 0 0 0 0.09 531 529 H2B SLES 1 -12.9954 -2.73832 35.4563 HCA2 527 0 0 0 0.09 532 530 C1 SLES 1 -13.1988 -3.13113 33.3003 CC32A 527 531 532 533 -0.01 533 531 H1B SLES 1 -14.073 -3.37538 32.6583 HCA2 530 0 0 0 0.09 534 532 H1A SLES 1 -12.9745 -2.05041 33.1986 HCA2 530 0 0 0 0.09 535 533 O1 SLES 1 -12.1389 -3.80995 32.5529 OC30A 530 534 0 0 -0.34 536 534 C1 SLES 1 -11.5057 -3.00107 31.4952 CTL2 533 535 536 537 -0.18 537 535 H11 SLES 1 -12.1171 -2.08882 31.3724 HAL2 534 0 0 0 0.09 538 536 H12 SLES 1 -10.5463 -2.72386 31.979 HAL2 534 0 0 0 0.09 539 537 C2 SLES 1 -11.2253 -3.64573 30.0803 CTL2 534 538 539 540 -0.18 540 538 H21 SLES 1 -11.6101 -4.69007 30.0728 HAL2 537 0 0 0 0.09 541 539 H22 SLES 1 -10.1267 -3.68447 29.9121 HAL2 537 0 0 0 0.09 542 540 C3 SLES 1 -11.9127 -2.82526 28.8833 CTL2 537 541 542 543 -0.18 543 541 H31 SLES 1 -12.8175 -3.37532 28.5413 HAL2 540 0 0 0 0.09 544 542 H32 SLES 1 -12.2393 -1.8369 29.2637 HAL2 540 0 0 0 0.09 545 543 C4 SLES 1 -10.9459 -2.60653 27.6465 CTL2 540 544 545 546 -0.18 546 544 H41 SLES 1 -11.216 -3.32764 26.847 HAL2 543 0 0 0 0.09 547 545 H42 SLES 1 -9.90044 -2.81736 27.9588 HAL2 543 0 0 0 0.09 548 546 C5 SLES 1 -11.023 -1.12462 27.061 CTL2 543 547 548 549 -0.18 549 547 H51 SLES 1 -11.9598 -0.641804 27.4171 HAL2 546 0 0 0 0.09 550 548 H52 SLES 1 -10.1635 -0.534514 27.4533 HAL2 546 0 0 0 0.09 551 549 C6 SLES 1 -10.9957 -1.08457 25.4865 CTL2 546 550 551 552 -0.18 552 550 H61 SLES 1 -11.9696 -1.45728 25.0972 HAL2 549 0 0 0 0.09 553 551 H62 SLES 1 -10.875 -0.0272857 25.1533 HAL2 549 0 0 0 0.09 554 552 C7 SLES 1 -9.84195 -1.94371 24.8791 CTL2 549 553 554 555 -0.18 555 553 H71 SLES 1 -10.1577 -3.01025 24.8554 HAL2 552 0 0 0 0.09 556 554 H72 SLES 1 -8.9459 -1.86517 25.5343 HAL2 552 0 0 0 0.09 557 555 C8 SLES 1 -9.45915 -1.50031 23.445 CTL2 552 556 557 558 -0.18 558 556 H81 SLES 1 -10.3886 -1.36005 22.8469 HAL2 555 0 0 0 0.09 559 557 H82 SLES 1 -8.93145 -0.520727 23.4957 HAL2 555 0 0 0 0.09 560 558 C9 SLES 1 -8.54809 -2.52986 22.7307 CTL2 555 559 560 561 -0.18 561 559 H91 SLES 1 -9.06427 -3.51643 22.7067 HAL2 558 0 0 0 0.09 562 560 H92 SLES 1 -7.60749 -2.64852 23.3144 HAL2 558 0 0 0 0.09 563 561 C10 SLES 1 -8.19483 -2.11047 21.2841 CTL2 558 562 563 564 -0.18 564 562 H10 SLES 1 -9.13443 -2.01439 20.6936 HAL2 561 0 0 0 0.09 565 563 H10 SLES 1 -7.69848 -1.11387 21.3053 HAL2 561 0 0 0 0.09 566 564 C11 SLES 1 -7.25738 -3.12866 20.5823 CTL2 561 565 566 567 -0.18 567 565 H11 SLES 1 -7.76108 -4.12203 20.5575 HAL2 564 0 0 0 0.09 568 566 H11 SLES 1 -6.3271 -3.23476 21.1858 HAL2 564 0 0 0 0.09 569 567 C12 SLES 1 -6.87108 -2.72796 19.135 CTL3 564 568 569 570 -0.27 570 568 H12 SLES 1 -7.19803 -3.5118 18.4166 HAL3 567 0 0 0 0.09 571 569 H12 SLES 1 -5.7688 -2.60587 19.0489 HAL3 567 0 0 0 0.09 572 570 H12 SLES 1 -7.35677 -1.7674 18.8565 HAL3 567 0 0 0 0.09 573 571 NA SLES 1 -14.9235 4.0506 41.388 NA 0 0 0 0 1 574 572 S SLES 1 -16.0123 6.75032 39.1797 SL 573 574 575 576 1.33 575 573 OS1 SLES 1 -14.9759 5.51493 38.7247 OSL 572 577 0 0 -0.28 576 574 OS2 SLES 1 -17.2321 6.11411 39.6324 O2L 572 0 0 0 -0.65 577 575 OS3 SLES 1 -15.3702 7.42756 40.2868 O2L 572 0 0 0 -0.65 578 576 OS4 SLES 1 -16.3134 7.70386 38.124 O2L 572 0 0 0 -0.65 579 577 C2 SLES 1 -14.7391 5.55518 37.2541 CC32A 573 578 579 580 -0.11 580 578 H2A SLES 1 -15.7146 5.51771 36.6936 HCA2 577 0 0 0 0.09 581 579 H2B SLES 1 -14.2116 6.51706 37.0035 HCA2 577 0 0 0 0.09 582 580 C1 SLES 1 -13.8244 4.31032 36.8304 CC32A 577 581 582 583 -0.01 583 581 H1B SLES 1 -14.304 3.35896 37.157 HCA2 580 0 0 0 0.09 584 582 H1A SLES 1 -12.8234 4.39265 37.3145 HCA2 580 0 0 0 0.09 585 583 O1 SLES 1 -13.5234 4.06176 35.4072 OC30A 580 584 0 0 -0.34 586 584 C2 SLES 1 -13.728 5.16661 34.5017 CC32A 583 585 586 587 -0.01 587 585 H2A SLES 1 -14.8117 5.36044 34.6239 HCA2 584 0 0 0 0.09 588 586 H2B SLES 1 -13.1591 5.98778 34.993 HCA2 584 0 0 0 0.09 589 587 C1 SLES 1 -13.3761 5.12158 32.9814 CC32A 584 588 589 590 -0.01 590 588 H1B SLES 1 -14.2591 4.77418 32.402 HCA2 587 0 0 0 0.09 591 589 H1A SLES 1 -13.1046 6.14002 32.6383 HCA2 587 0 0 0 0.09 592 590 O1 SLES 1 -12.3456 4.24585 32.421 OC30A 587 591 0 0 -0.34 593 591 C1 SLES 1 -11.676 4.76415 31.2139 CTL2 590 592 593 594 -0.18 594 592 H11 SLES 1 -12.2468 5.64915 30.8791 HAL2 591 0 0 0 0.09 595 593 H12 SLES 1 -10.7062 5.10386 31.6327 HAL2 591 0 0 0 0.09 596 594 C2 SLES 1 -11.4218 3.80195 29.9868 CTL2 591 595 596 597 -0.18 597 595 H21 SLES 1 -11.8519 2.80073 30.2135 HAL2 594 0 0 0 0.09 598 596 H22 SLES 1 -10.3257 3.6795 29.8446 HAL2 594 0 0 0 0.09 599 597 C3 SLES 1 -12.0708 4.35541 28.6264 CTL2 594 598 599 600 -0.18 600 598 H31 SLES 1 -12.9983 3.7804 28.4085 HAL2 597 0 0 0 0.09 601 599 H32 SLES 1 -12.3545 5.41741 28.7673 HAL2 597 0 0 0 0.09 602 600 C4 SLES 1 -11.0934 4.24471 27.3835 CTL2 597 601 602 603 -0.18 603 601 H41 SLES 1 -11.3935 3.37202 26.7666 HAL2 600 0 0 0 0.09 604 602 H42 SLES 1 -10.0586 4.06692 27.7477 HAL2 600 0 0 0 0.09 605 603 C5 SLES 1 -11.1048 5.5555 26.4744 CTL2 600 604 605 606 -0.18 606 604 H51 SLES 1 -12.0201 6.14598 26.7 HAL2 603 0 0 0 0.09 607 605 H52 SLES 1 -10.2209 6.18285 26.7315 HAL2 603 0 0 0 0.09 608 606 C6 SLES 1 -11.0732 5.23348 24.9327 CTL2 603 607 608 609 -0.18 609 607 H61 SLES 1 -12.0618 4.82305 24.6275 HAL2 606 0 0 0 0.09 610 608 H62 SLES 1 -10.9059 6.18056 24.3684 HAL2 606 0 0 0 0.09 611 609 C7 SLES 1 -9.95712 4.21036 24.5507 CTL2 606 610 611 612 -0.18 612 610 H71 SLES 1 -10.3191 3.18092 24.7674 HAL2 609 0 0 0 0.09 613 611 H72 SLES 1 -9.05954 4.3987 25.181 HAL2 609 0 0 0 0.09 614 612 C8 SLES 1 -9.55303 4.29775 23.0579 CTL2 609 613 614 615 -0.18 615 613 H81 SLES 1 -10.4745 4.33667 22.4328 HAL2 612 0 0 0 0.09 616 614 H82 SLES 1 -8.98311 5.23984 22.8897 HAL2 612 0 0 0 0.09 617 615 C9 SLES 1 -8.68669 3.09471 22.6079 CTL2 612 616 617 618 -0.18 618 616 H91 SLES 1 -9.24545 2.15144 22.8038 HAL2 615 0 0 0 0.09 619 617 H92 SLES 1 -7.7531 3.07302 23.2141 HAL2 615 0 0 0 0.09 620 618 C10 SLES 1 -8.31313 3.15711 21.1079 CTL2 615 619 620 621 -0.18 621 619 H10 SLES 1 -9.2467 3.15524 20.5003 HAL2 618 0 0 0 0.09 622 620 H10 SLES 1 -7.77374 4.11035 20.9069 HAL2 618 0 0 0 0.09 623 621 C11 SLES 1 -7.41995 1.96689 20.668 CTL2 618 622 623 624 -0.18 624 622 H11 SLES 1 -7.96654 1.01628 20.8647 HAL2 621 0 0 0 0.09 625 623 H11 SLES 1 -6.49616 1.96239 21.2905 HAL2 621 0 0 0 0.09 626 624 C12 SLES 1 -7.01421 2.00955 19.1719 CTL3 621 625 626 627 -0.27 627 625 H12 SLES 1 -7.37395 1.09679 18.6477 HAL3 624 0 0 0 0.09 628 626 H12 SLES 1 -5.90751 2.06214 19.073 HAL3 624 0 0 0 0.09 629 627 H12 SLES 1 -7.45702 2.90067 18.676 HAL3 624 0 0 0 0.09 630 628 NA SLES 1 -9.25791 12.7554 41.2756 NA 0 0 0 0 1 631 629 S SLES 1 -10.5336 15.042 38.7272 SL 630 631 632 633 1.33 632 630 OS1 SLES 1 -9.60757 13.6839 38.4023 OSL 629 634 0 0 -0.28 633 631 OS2 SLES 1 -11.7047 14.5765 39.4409 O2L 629 0 0 0 -0.65 634 632 OS3 SLES 1 -9.7303 15.8797 39.5929 O2L 629 0 0 0 -0.65 635 633 OS4 SLES 1 -10.9375 15.792 37.5487 O2L 629 0 0 0 -0.65 636 634 C2 SLES 1 -9.56316 13.4283 36.935 CC32A 630 635 636 637 -0.11 637 635 H2A SLES 1 -10.6041 13.3415 36.5154 HCA2 634 0 0 0 0.09 638 636 H2B SLES 1 -9.04073 14.292 36.4377 HCA2 634 0 0 0 0.09 639 637 C1 SLES 1 -8.75398 12.0741 36.6573 CC32A 634 638 639 640 -0.01 640 638 H1B SLES 1 -9.21874 11.2325 37.2207 HCA2 637 0 0 0 0.09 641 639 H1A SLES 1 -7.69621 12.1888 36.9907 HCA2 637 0 0 0 0.09 642 640 O1 SLES 1 -8.64951 11.5408 35.2852 OC30A 637 641 0 0 -0.34 643 641 C2 SLES 1 -8.93309 12.4622 34.2113 CC32A 640 642 643 644 -0.01 644 642 H2A SLES 1 -9.98444 12.7388 34.4234 HCA2 641 0 0 0 0.09 645 643 H2B SLES 1 -8.27767 13.3274 34.4585 HCA2 641 0 0 0 0.09 646 644 C1 SLES 1 -8.78398 12.1068 32.6985 CC32A 641 645 646 647 -0.01 647 645 H1B SLES 1 -9.74617 11.7072 32.3104 HCA2 644 0 0 0 0.09 648 646 H1A SLES 1 -8.52538 13.0232 32.1311 HCA2 644 0 0 0 0.09 649 647 O1 SLES 1 -7.86542 11.0813 32.2009 OC30A 644 648 0 0 -0.34 650 648 C1 SLES 1 -7.3417 11.3192 30.8433 CTL2 647 649 650 651 -0.18 651 649 H11 SLES 1 -7.92114 12.1557 30.4124 HAL2 648 0 0 0 0.09 652 650 H12 SLES 1 -6.3147 11.6754 31.0662 HAL2 648 0 0 0 0.09 653 651 C2 SLES 1 -7.28212 10.1269 29.8084 CTL2 648 652 653 654 -0.18 654 652 H21 SLES 1 -7.71253 9.21441 30.2783 HAL2 651 0 0 0 0.09 655 653 H22 SLES 1 -6.21869 9.91566 29.5612 HAL2 651 0 0 0 0.09 656 654 C3 SLES 1 -8.08389 10.447 28.4544 CTL2 651 655 656 657 -0.18 657 655 H31 SLES 1 -9.05067 9.89617 28.4682 HAL2 654 0 0 0 0.09 658 656 H32 SLES 1 -8.31089 11.5311 28.4166 HAL2 654 0 0 0 0.09 659 657 C4 SLES 1 -7.2811 10.0437 27.1486 CTL2 654 658 659 660 -0.18 660 658 H41 SLES 1 -7.68821 9.08827 26.7569 HAL2 657 0 0 0 0.09 661 659 H42 SLES 1 -6.21426 9.87868 27.4125 HAL2 657 0 0 0 0.09 662 660 C5 SLES 1 -7.36662 11.1549 26.0072 CTL2 657 661 662 663 -0.18 663 661 H51 SLES 1 -8.22435 11.8301 26.2213 HAL2 660 0 0 0 0.09 664 662 H52 SLES 1 -6.43613 11.7671 26.0265 HAL2 660 0 0 0 0.09 665 663 C6 SLES 1 -7.54708 10.5427 24.567 CTL2 660 664 665 666 -0.18 666 664 H61 SLES 1 -8.58035 10.14 24.4708 HAL2 663 0 0 0 0.09 667 665 H62 SLES 1 -7.42294 11.353 23.811 HAL2 663 0 0 0 0.09 668 666 C7 SLES 1 -6.52542 9.40199 24.2617 CTL2 663 667 668 669 -0.18 669 667 H71 SLES 1 -6.89055 8.45593 24.7193 HAL2 666 0 0 0 0.09 670 668 H72 SLES 1 -5.54754 9.65456 24.7289 HAL2 666 0 0 0 0.09 671 669 C8 SLES 1 -6.3166 9.17853 22.7432 CTL2 666 670 671 672 -0.18 672 670 H81 SLES 1 -7.30987 9.15101 22.2391 HAL2 669 0 0 0 0.09 673 671 H82 SLES 1 -5.74204 10.0361 22.3248 HAL2 669 0 0 0 0.09 674 672 C9 SLES 1 -5.55731 7.86309 22.4375 CTL2 669 673 674 675 -0.18 675 673 H91 SLES 1 -6.11724 7.009 22.8818 HAL2 672 0 0 0 0.09 676 674 H92 SLES 1 -4.55396 7.90317 22.9183 HAL2 672 0 0 0 0.09 677 675 C10 SLES 1 -5.38052 7.61557 20.9207 CTL2 672 676 677 678 -0.18 678 676 H10 SLES 1 -6.38483 7.55212 20.4431 HAL2 675 0 0 0 0.09 679 677 H10 SLES 1 -4.84012 8.47957 20.4718 HAL2 675 0 0 0 0.09 680 678 C11 SLES 1 -4.5929 6.31304 20.6189 CTL2 675 679 680 681 -0.18 681 679 H11 SLES 1 -5.1409 5.45121 21.064 HAL2 678 0 0 0 0.09 682 680 H11 SLES 1 -3.59654 6.37365 21.1134 HAL2 678 0 0 0 0.09 683 681 C12 SLES 1 -4.38436 6.04505 19.1059 CTL3 678 682 683 684 -0.27 684 682 H12 SLES 1 -4.8399 5.07152 18.8194 HAL3 681 0 0 0 0.09 685 683 H12 SLES 1 -3.29885 6.01295 18.8651 HAL3 681 0 0 0 0.09 686 684 H12 SLES 1 -4.85774 6.84922 18.5015 HAL3 681 0 0 0 0.09 687 685 NA SLES 1 0.404653 16.9 40.8204 NA 0 0 0 0 1 688 686 S SLES 1 -1.30273 19.0229 38.3855 SL 687 688 689 690 1.33 689 687 OS1 SLES 1 -0.522559 17.5887 38.0087 OSL 686 691 0 0 -0.28 690 688 OS2 SLES 1 -2.30867 18.693 39.3738 O2L 686 0 0 0 -0.65 691 689 OS3 SLES 1 -0.298977 19.885 38.9735 O2L 686 0 0 0 -0.65 692 690 OS4 SLES 1 -1.92267 19.6878 37.2506 O2L 686 0 0 0 -0.65 693 691 C2 SLES 1 -0.806966 17.2016 36.5982 CC32A 687 692 693 694 -0.11 694 692 H2A SLES 1 -1.91664 17.1397 36.4194 HCA2 691 0 0 0 0.09 695 693 H2B SLES 1 -0.371436 17.9851 35.918 HCA2 691 0 0 0 0.09 696 694 C1 SLES 1 -0.130477 15.7824 36.2915 CC32A 691 695 696 697 -0.01 697 695 H1B SLES 1 -0.494589 15.0232 37.0215 HCA2 694 0 0 0 0.09 698 696 H1A SLES 1 0.978023 15.8632 36.3801 HCA2 694 0 0 0 0.09 699 697 O1 SLES 1 -0.346476 15.124 34.9885 OC30A 694 698 0 0 -0.34 700 698 C2 SLES 1 -0.819828 15.9615 33.9128 CC32A 697 699 700 701 -0.01 701 699 H2A SLES 1 -1.78871 16.3178 34.3142 HCA2 698 0 0 0 0.09 702 700 H2B SLES 1 -0.0932636 16.8048 33.9281 HCA2 698 0 0 0 0.09 703 701 C1 SLES 1 -1.01585 15.4648 32.4458 CC32A 698 702 703 704 -0.01 704 702 H1B SLES 1 -2.05406 15.0902 32.3121 HCA2 701 0 0 0 0.09 705 703 H1A SLES 1 -0.850796 16.3102 31.7481 HCA2 701 0 0 0 0.09 706 704 O1 SLES 1 -0.267464 14.3465 31.8696 OC30A 701 705 0 0 -0.34 707 705 C1 SLES 1 -0.0413455 14.4312 30.415 CTL2 704 706 707 708 -0.18 708 706 H11 SLES 1 -0.667354 15.2591 30.0355 HAL2 705 0 0 0 0.09 709 707 H12 SLES 1 1.02261 14.7442 30.3786 HAL2 705 0 0 0 0.09 710 708 C2 SLES 1 -0.25378 13.1503 29.5149 CTL2 705 709 710 711 -0.18 711 709 H21 SLES 1 -0.607378 12.3103 30.1538 HAL2 708 0 0 0 0.09 712 710 H22 SLES 1 0.721837 12.8551 29.0703 HAL2 708 0 0 0 0.09 713 711 C3 SLES 1 -1.31666 13.3958 28.3366 CTL2 708 712 713 714 -0.18 714 712 H31 SLES 1 -2.27821 12.9068 28.6096 HAL2 711 0 0 0 0.09 715 713 H32 SLES 1 -1.5041 14.4839 28.24 HAL2 711 0 0 0 0.09 716 714 C4 SLES 1 -0.832057 12.8312 26.9371 CTL2 711 715 716 717 -0.18 717 715 H41 SLES 1 -1.35122 11.8705 26.7376 HAL2 714 0 0 0 0.09 718 716 H42 SLES 1 0.259361 12.6271 26.984 HAL2 714 0 0 0 0.09 719 717 C5 SLES 1 -1.11943 13.8396 25.7349 CTL2 714 718 719 720 -0.18 720 718 H51 SLES 1 -1.88349 14.5809 26.0575 HAL2 717 0 0 0 0.09 721 719 H52 SLES 1 -0.183726 14.3947 25.4956 HAL2 717 0 0 0 0.09 722 720 C6 SLES 1 -1.63119 13.1137 24.4339 CTL2 717 721 722 723 -0.18 723 721 H61 SLES 1 -2.67565 12.7661 24.5994 HAL2 720 0 0 0 0.09 724 722 H62 SLES 1 -1.64228 13.8448 23.592 HAL2 720 0 0 0 0.09 725 723 C7 SLES 1 -0.745093 11.8917 24.0342 CTL2 720 724 725 726 -0.18 726 724 H71 SLES 1 -1.03899 11.0134 24.6506 HAL2 723 0 0 0 0.09 727 725 H72 SLES 1 0.319838 12.1262 24.2561 HAL2 723 0 0 0 0.09 728 726 C8 SLES 1 -0.878965 11.5221 22.5358 CTL2 723 727 728 729 -0.18 729 727 H81 SLES 1 -1.95812 11.509 22.259 HAL2 726 0 0 0 0.09 730 728 H82 SLES 1 -0.375712 12.3035 21.922 HAL2 726 0 0 0 0.09 731 729 C9 SLES 1 -0.255684 10.142 22.2088 CTL2 726 730 731 732 -0.18 732 730 H91 SLES 1 -0.73892 9.36553 22.8443 HAL2 729 0 0 0 0.09 733 731 H92 SLES 1 0.828767 10.165 22.4596 HAL2 729 0 0 0 0.09 734 732 C10 SLES 1 -0.421369 9.75059 20.7212 CTL2 729 733 734 735 -0.18 735 733 H10 SLES 1 -1.50698 9.70472 20.476 HAL2 732 0 0 0 0.09 736 734 H10 SLES 1 0.0421989 10.5377 20.0843 HAL2 732 0 0 0 0.09 737 735 C11 SLES 1 0.230897 8.38192 20.3907 CTL2 732 736 737 738 -0.18 738 736 H11 SLES 1 -0.240832 7.59713 21.0253 HAL2 735 0 0 0 0.09 739 737 H11 SLES 1 1.31229 8.42695 20.6543 HAL2 735 0 0 0 0.09 740 738 C12 SLES 1 0.096218 7.96863 18.9022 CTL3 735 739 740 741 -0.27 741 739 H12 SLES 1 -0.448089 7.00228 18.8171 HAL3 738 0 0 0 0.09 742 740 H12 SLES 1 1.10171 7.85084 18.4413 HAL3 738 0 0 0 0.09 743 741 H12 SLES 1 -0.465165 8.74261 18.3348 HAL3 738 0 0 0 0.09 744 742 NA SLES 1 10.8582 15.1672 40.0517 NA 0 0 0 0 1 745 743 S SLES 1 8.75279 17.468 38.148 SL 744 745 746 747 1.33 746 744 OS1 SLES 1 9.34158 16.0147 37.5574 OSL 743 748 0 0 -0.28 747 745 OS2 SLES 1 7.98793 17.1465 39.3351 O2L 743 0 0 0 -0.65 748 746 OS3 SLES 1 9.91289 18.256 38.5084 O2L 743 0 0 0 -0.65 749 747 OS4 SLES 1 7.92392 18.2081 37.2101 O2L 743 0 0 0 -0.65 750 748 C2 SLES 1 8.71494 15.7001 36.2426 CC32A 744 749 750 751 -0.11 751 749 H2A SLES 1 7.59248 15.699 36.3278 HCA2 748 0 0 0 0.09 752 750 H2B SLES 1 9.02339 16.4891 35.502 HCA2 748 0 0 0 0.09 753 751 C1 SLES 1 9.22027 14.2638 35.745 CC32A 748 752 753 754 -0.01 754 752 H1B SLES 1 8.99412 13.4936 36.518 HCA2 751 0 0 0 0.09 755 753 H1A SLES 1 10.3216 14.2876 35.573 HCA2 751 0 0 0 0.09 756 754 O1 SLES 1 8.66981 13.6708 34.5108 OC30A 751 755 0 0 -0.34 757 755 C2 SLES 1 8.00676 14.5736 33.6009 CC32A 754 756 757 758 -0.01 758 756 H2A SLES 1 7.17976 14.9592 34.2288 HCA2 755 0 0 0 0.09 759 757 H2B SLES 1 8.76321 15.3797 33.4693 HCA2 755 0 0 0 0.09 760 758 C1 SLES 1 7.44658 14.1477 32.2073 CC32A 755 759 760 761 -0.01 761 759 H1B SLES 1 6.3864 13.8292 32.3106 HCA2 758 0 0 0 0.09 762 760 H1A SLES 1 7.49187 15.0121 31.515 HCA2 758 0 0 0 0.09 763 761 O1 SLES 1 7.97584 13.0193 31.4395 OC30A 758 762 0 0 -0.34 764 762 C1 SLES 1 7.86116 13.1529 29.9756 CTL2 761 763 764 765 -0.18 765 763 H11 SLES 1 7.21162 14.0247 29.7778 HAL2 762 0 0 0 0.09 766 764 H12 SLES 1 8.90323 13.4156 29.6994 HAL2 762 0 0 0 0.09 767 765 C2 SLES 1 7.37297 11.9218 29.1141 CTL2 762 766 767 768 -0.18 768 766 H21 SLES 1 7.13126 11.0742 29.7938 HAL2 765 0 0 0 0.09 769 767 H22 SLES 1 8.19989 11.5986 28.4446 HAL2 765 0 0 0 0.09 770 768 C3 SLES 1 6.08032 12.2664 28.226 CTL2 765 769 770 771 -0.18 771 769 H31 SLES 1 5.1829 11.8133 28.7032 HAL2 768 0 0 0 0.09 772 770 H32 SLES 1 5.93715 13.3652 28.2075 HAL2 768 0 0 0 0.09 773 771 C4 SLES 1 6.19283 11.7371 26.7362 CTL2 768 772 773 774 -0.18 774 772 H41 SLES 1 5.5882 10.8116 26.6368 HAL2 771 0 0 0 0.09 775 773 H42 SLES 1 7.25185 11.4791 26.5196 HAL2 771 0 0 0 0.09 776 774 C5 SLES 1 5.69049 12.8068 25.6647 CTL2 771 775 776 777 -0.18 777 775 H51 SLES 1 5.06568 13.5701 26.179 HAL2 774 0 0 0 0.09 778 776 H52 SLES 1 6.57442 13.3257 25.2284 HAL2 774 0 0 0 0.09 779 777 C6 SLES 1 4.84956 12.1605 24.5 CTL2 774 778 779 780 -0.18 780 778 H61 SLES 1 3.85455 11.857 24.8961 HAL2 777 0 0 0 0.09 781 779 H62 SLES 1 4.68378 12.9253 23.7056 HAL2 777 0 0 0 0.09 782 780 C7 SLES 1 5.54781 10.9148 23.8684 CTL2 777 781 782 783 -0.18 783 781 H71 SLES 1 5.35665 10.027 24.5111 HAL2 780 0 0 0 0.09 784 782 H72 SLES 1 6.64661 11.0886 23.8406 HAL2 780 0 0 0 0.09 785 783 C8 SLES 1 5.04783 10.6141 22.4334 CTL2 780 784 785 786 -0.18 786 784 H81 SLES 1 3.93489 10.6642 22.4175 HAL2 783 0 0 0 0.09 787 785 H82 SLES 1 5.43737 11.395 21.7412 HAL2 783 0 0 0 0.09 788 786 C9 SLES 1 5.49894 9.22018 21.9295 CTL2 783 787 788 789 -0.18 789 787 H91 SLES 1 5.13416 8.44235 22.6382 HAL2 786 0 0 0 0.09 790 788 H92 SLES 1 6.61152 9.18069 21.9192 HAL2 786 0 0 0 0.09 791 789 C10 SLES 1 4.96937 8.89874 20.5119 CTL2 786 790 791 792 -0.18 792 790 H10 SLES 1 3.85569 8.91521 20.5273 HAL2 789 0 0 0 0.09 793 791 H10 SLES 1 5.31533 9.68815 19.8068 HAL2 789 0 0 0 0.09 794 792 C11 SLES 1 5.44845 7.51507 19.9982 CTL2 789 793 794 795 -0.18 795 793 H11 SLES 1 5.09415 6.72841 20.703 HAL2 792 0 0 0 0.09 796 794 H11 SLES 1 6.56228 7.4972 20.0016 HAL2 792 0 0 0 0.09 797 795 C12 SLES 1 4.94753 7.17032 18.5717 CTL3 792 796 797 798 -0.27 798 796 H12 SLES 1 4.34482 6.23556 18.5892 HAL3 795 0 0 0 0.09 799 797 H12 SLES 1 5.80964 7.02342 17.8843 HAL3 795 0 0 0 0.09 800 798 H12 SLES 1 4.3139 7.99307 18.1746 HAL3 795 0 0 0 0.09 801 799 NA SLES 1 18.8954 8.1911 39.089 NA 0 0 0 0 1 802 800 S SLES 1 16.6475 10.848 37.9762 SL 801 802 803 804 1.33 803 801 OS1 SLES 1 17.0184 9.48346 37.0774 OSL 800 805 0 0 -0.28 804 802 OS2 SLES 1 16.0876 10.3745 39.2252 O2L 800 0 0 0 -0.65 805 803 OS3 SLES 1 17.9053 11.521 38.2244 O2L 800 0 0 0 -0.65 806 804 OS4 SLES 1 15.7172 11.7603 37.3307 O2L 800 0 0 0 -0.65 807 805 C2 SLES 1 16.1457 9.40637 35.8721 CC32A 801 806 807 808 -0.11 808 806 H2A SLES 1 15.0594 9.43784 36.1657 HCA2 805 0 0 0 0.09 809 807 H2B SLES 1 16.3703 10.2892 35.2115 HCA2 805 0 0 0 0.09 810 808 C1 SLES 1 16.4525 8.04733 35.0818 CC32A 805 809 810 811 -0.01 811 809 H1B SLES 1 16.3158 7.1746 35.7611 HCA2 808 0 0 0 0.09 812 810 H1A SLES 1 17.5041 8.05289 34.7112 HCA2 808 0 0 0 0.09 813 811 O1 SLES 1 15.6497 7.67977 33.8993 OC30A 808 812 0 0 -0.34 814 812 C2 SLES 1 14.8985 8.74137 33.2738 CC32A 811 813 814 815 -0.01 815 813 H2A SLES 1 14.2264 9.05653 34.0958 HCA2 812 0 0 0 0.09 816 814 H2B SLES 1 15.6732 9.52651 33.1228 HCA2 812 0 0 0 0.09 817 815 C1 SLES 1 14.0691 8.56432 31.963 CC32A 812 816 817 818 -0.01 818 816 H1B SLES 1 13.0252 8.27721 32.2155 HCA2 815 0 0 0 0.09 819 817 H1A SLES 1 14.0494 9.52471 31.4099 HCA2 815 0 0 0 0.09 820 818 O1 SLES 1 14.3724 7.55075 30.9513 OC30A 815 819 0 0 -0.34 821 819 C1 SLES 1 14.0064 7.91852 29.5711 CTL2 818 820 821 822 -0.18 822 820 H11 SLES 1 13.3941 8.83653 29.6299 HAL2 819 0 0 0 0.09 823 821 H12 SLES 1 14.9977 8.17874 29.1458 HAL2 819 0 0 0 0.09 824 822 C2 SLES 1 13.2873 6.85999 28.6446 CTL2 819 823 824 825 -0.18 825 823 H21 SLES 1 13.1132 5.92628 29.2248 HAL2 822 0 0 0 0.09 826 824 H22 SLES 1 13.9562 6.61311 27.7912 HAL2 822 0 0 0 0.09 827 825 C3 SLES 1 11.8834 7.39322 28.0761 CTL2 822 826 827 828 -0.18 828 826 H31 SLES 1 11.0569 6.90755 28.6412 HAL2 825 0 0 0 0.09 829 827 H32 SLES 1 11.8158 8.48608 28.2473 HAL2 825 0 0 0 0.09 830 828 C4 SLES 1 11.6897 7.10186 26.5302 CTL2 825 829 830 831 -0.18 831 829 H41 SLES 1 11.0142 6.22918 26.4106 HAL2 828 0 0 0 0.09 832 830 H42 SLES 1 12.6721 6.83821 26.0826 HAL2 828 0 0 0 0.09 833 831 C5 SLES 1 11.0787 8.34707 25.7422 CTL2 828 832 833 834 -0.18 834 832 H51 SLES 1 10.6109 9.04441 26.4717 HAL2 831 0 0 0 0.09 835 833 H52 SLES 1 11.9039 8.89176 25.229 HAL2 831 0 0 0 0.09 836 834 C6 SLES 1 9.99966 7.92784 24.6739 CTL2 831 835 836 837 -0.18 837 835 H61 SLES 1 9.07324 7.60655 25.2008 HAL2 834 0 0 0 0.09 838 836 H62 SLES 1 9.74753 8.81467 24.0467 HAL2 834 0 0 0 0.09 839 837 C7 SLES 1 10.485 6.77006 23.7453 CTL2 834 838 839 840 -0.18 840 838 H71 SLES 1 10.3511 5.80047 24.2742 HAL2 837 0 0 0 0.09 841 839 H72 SLES 1 11.5704 6.90094 23.5374 HAL2 837 0 0 0 0.09 842 840 C8 SLES 1 9.71601 6.72058 22.4016 CTL2 837 841 842 843 -0.18 843 841 H81 SLES 1 8.62449 6.81809 22.6028 HAL2 840 0 0 0 0.09 844 842 H82 SLES 1 10.0283 7.58442 21.7716 HAL2 840 0 0 0 0.09 845 843 C9 SLES 1 9.97147 5.40653 21.6216 CTL2 840 844 845 846 -0.18 846 844 H91 SLES 1 9.68666 4.54208 22.2634 HAL2 843 0 0 0 0.09 847 845 H92 SLES 1 11.0587 5.32367 21.3966 HAL2 843 0 0 0 0.09 848 846 C10 SLES 1 9.1751 5.33506 20.2972 CTL2 843 847 848 849 -0.18 849 847 H10 SLES 1 8.08615 5.39446 20.524 HAL2 846 0 0 0 0.09 850 848 H10 SLES 1 9.44289 6.21115 19.6641 HAL2 846 0 0 0 0.09 851 849 C11 SLES 1 9.45696 4.03152 19.5039 CTL2 846 850 851 852 -0.18 852 850 H11 SLES 1 9.18112 3.15854 20.1387 HAL2 849 0 0 0 0.09 853 851 H11 SLES 1 10.5493 3.96776 19.2952 HAL2 849 0 0 0 0.09 854 852 C12 SLES 1 8.6855 3.93728 18.1621 CTL3 849 853 854 855 -0.27 855 853 H12 SLES 1 8.03226 3.03696 18.1542 HAL3 852 0 0 0 0.09 856 854 H12 SLES 1 9.39795 3.86567 17.3108 HAL3 852 0 0 0 0.09 857 855 H12 SLES 1 8.04958 4.83767 18.0171 HAL3 852 0 0 0 0.09 858 856 NA SLES 1 22.2908 -1.92498 38.0985 NA 0 0 0 0 1 859 857 S SLES 1 20.1503 1.02257 37.8144 SL 858 859 860 861 1.33 860 858 OS1 SLES 1 20.3595 -0.11577 36.6029 OSL 857 862 0 0 -0.28 861 859 OS2 SLES 1 19.6552 0.303069 38.9697 O2L 857 0 0 0 -0.65 862 860 OS3 SLES 1 21.4658 1.5586 38.095 O2L 857 0 0 0 -0.65 863 861 OS4 SLES 1 19.2379 2.10284 37.4753 O2L 857 0 0 0 -0.65 864 862 C2 SLES 1 19.3954 0.128299 35.4933 CC32A 858 863 864 865 -0.11 865 863 H2A SLES 1 18.3389 0.144441 35.8815 HCA2 862 0 0 0 0.09 866 864 H2B SLES 1 19.6289 1.12712 35.0305 HCA2 862 0 0 0 0.09 867 865 C1 SLES 1 19.5495 -1.02647 34.3939 CC32A 862 866 867 868 -0.01 868 866 H1B SLES 1 19.4055 -2.02403 34.8692 HCA2 865 0 0 0 0.09 869 867 H1A SLES 1 20.5681 -0.987248 33.9424 HCA2 865 0 0 0 0.09 870 868 O1 SLES 1 18.637 -1.0734 33.2349 OC30A 865 869 0 0 -0.34 871 869 C2 SLES 1 17.9144 0.138676 32.9329 CC32A 868 870 871 872 -0.01 872 870 H2A SLES 1 17.3288 0.289177 33.861 HCA2 869 0 0 0 0.09 873 871 H2B SLES 1 18.7268 0.898811 32.8942 HCA2 869 0 0 0 0.09 874 872 C1 SLES 1 16.9787 0.307652 31.6946 CC32A 869 873 874 875 -0.01 875 873 H1B SLES 1 15.9397 0.0214639 31.9677 HCA2 872 0 0 0 0.09 876 874 H1A SLES 1 16.9824 1.3691 31.3754 HCA2 872 0 0 0 0.09 877 875 O1 SLES 1 17.1359 -0.46032 30.4584 OC30A 872 876 0 0 -0.34 878 876 C1 SLES 1 16.6929 0.23164 29.234 CTL2 875 877 878 879 -0.18 879 877 H11 SLES 1 16.1501 1.14038 29.5515 HAL2 876 0 0 0 0.09 880 878 H12 SLES 1 17.6647 0.533911 28.7919 HAL2 876 0 0 0 0.09 881 879 C2 SLES 1 15.8362 -0.549778 28.1608 CTL2 876 880 881 882 -0.18 882 880 H21 SLES 1 15.6436 -1.58209 28.5296 HAL2 879 0 0 0 0.09 883 881 H22 SLES 1 16.4209 -0.626584 27.218 HAL2 879 0 0 0 0.09 884 882 C3 SLES 1 14.4328 0.167352 27.8533 CTL2 879 883 884 885 -0.18 885 883 H31 SLES 1 13.6202 -0.394156 28.3659 HAL2 882 0 0 0 0.09 886 884 H32 SLES 1 14.4524 1.19374 28.2709 HAL2 882 0 0 0 0.09 887 885 C4 SLES 1 14.1042 0.248201 26.3049 CTL2 882 886 887 888 -0.18 888 886 H41 SLES 1 13.3643 -0.539802 26.0526 HAL2 885 0 0 0 0.09 889 887 H42 SLES 1 15.0302 0.0467279 25.7243 HAL2 885 0 0 0 0.09 890 888 C5 SLES 1 13.5213 1.66921 25.8739 CTL2 885 889 890 891 -0.18 891 889 H51 SLES 1 13.1578 2.20252 26.78 HAL2 888 0 0 0 0.09 892 890 H52 SLES 1 14.3405 2.27627 25.4251 HAL2 888 0 0 0 0.09 893 891 C6 SLES 1 12.3391 1.5593 24.8387 CTL2 888 892 893 894 -0.18 894 892 H61 SLES 1 11.4353 1.17121 25.3599 HAL2 891 0 0 0 0.09 895 893 H62 SLES 1 12.1011 2.57757 24.4515 HAL2 891 0 0 0 0.09 896 894 C7 SLES 1 12.6739 0.623201 23.6346 CTL2 891 895 896 897 -0.18 897 895 H71 SLES 1 12.515 -0.434158 23.9419 HAL2 894 0 0 0 0.09 898 896 H72 SLES 1 13.7469 0.745272 23.3661 HAL2 894 0 0 0 0.09 899 897 C8 SLES 1 11.8045 0.920828 22.3875 CTL2 894 898 899 900 -0.18 900 898 H81 SLES 1 10.7403 1.02261 22.7014 HAL2 897 0 0 0 0.09 901 899 H82 SLES 1 12.1262 1.88989 21.9425 HAL2 897 0 0 0 0.09 902 900 C9 SLES 1 11.9112 -0.19008 21.3129 CTL2 897 901 902 903 -0.18 903 901 H91 SLES 1 11.6177 -1.16379 21.7669 HAL2 900 0 0 0 0.09 904 902 H92 SLES 1 12.9703 -0.271956 20.9796 HAL2 900 0 0 0 0.09 905 903 C10 SLES 1 11.0145 0.0830618 20.0822 CTL2 900 904 905 906 -0.18 906 904 H10 SLES 1 9.95222 0.141802 20.4121 HAL2 903 0 0 0 0.09 907 905 H10 SLES 1 11.2926 1.0669 19.6408 HAL2 903 0 0 0 0.09 908 906 C11 SLES 1 11.1472 -1.01587 18.9947 CTL2 903 907 908 909 -0.18 909 907 H11 SLES 1 10.8615 -1.99669 19.439 HAL2 906 0 0 0 0.09 910 908 H11 SLES 1 12.214 -1.08317 18.681 HAL2 906 0 0 0 0.09 911 909 C12 SLES 1 10.2725 -0.762083 17.7397 CTL3 906 910 911 912 -0.27 912 910 H12 SLES 1 9.56114 -1.60368 17.5878 HAL3 909 0 0 0 0.09 913 911 H12 SLES 1 10.9124 -0.671106 16.8344 HAL3 909 0 0 0 0.09 914 912 H12 SLES 1 9.68975 0.177433 17.8575 HAL3 909 0 0 0 0.09 915 913 NA SLES 1 20.2591 -12.4325 37.2436 NA 0 0 0 0 1 916 914 S SLES 1 18.3036 -9.36744 37.6064 SL 915 916 917 918 1.33 917 915 OS1 SLES 1 18.5076 -10.195 36.1639 OSL 914 919 0 0 -0.28 918 916 OS2 SLES 1 17.713 -10.3075 38.5365 O2L 914 0 0 0 -0.65 919 917 OS3 SLES 1 19.6317 -9.00205 38.0526 O2L 914 0 0 0 -0.65 920 918 OS4 SLES 1 17.4708 -8.17955 37.5071 O2L 914 0 0 0 -0.65 921 919 C2 SLES 1 17.6142 -9.6299 35.1138 CC32A 915 920 921 922 -0.11 922 920 H2A SLES 1 16.5425 -9.63707 35.4583 HCA2 919 0 0 0 0.09 923 921 H2B SLES 1 17.9255 -8.56718 34.9139 HCA2 919 0 0 0 0.09 924 922 C1 SLES 1 17.7568 -10.4965 33.7742 CC32A 919 923 924 925 -0.01 925 923 H1B SLES 1 17.5342 -11.5669 33.9896 HCA2 922 0 0 0 0.09 926 924 H1A SLES 1 18.797 -10.418 33.3803 HCA2 922 0 0 0 0.09 927 925 O1 SLES 1 16.9009 -10.205 32.6078 OC30A 922 926 0 0 -0.34 928 926 C2 SLES 1 16.2629 -8.91079 32.5827 CC32A 925 927 928 929 -0.01 929 927 H2A SLES 1 15.642 -8.94779 33.4993 HCA2 926 0 0 0 0.09 930 928 H2B SLES 1 17.1176 -8.2188 32.7562 HCA2 926 0 0 0 0.09 931 929 C1 SLES 1 15.3999 -8.38966 31.3907 CC32A 926 930 931 932 -0.01 932 930 H1B SLES 1 14.3343 -8.66341 31.5512 HCA2 929 0 0 0 0.09 933 931 H1A SLES 1 15.4786 -7.28532 31.3373 HCA2 929 0 0 0 0.09 934 932 O1 SLES 1 15.574 -8.84901 30.0118 OC30A 929 933 0 0 -0.34 935 933 C1 SLES 1 15.2308 -7.85708 28.9763 CTL2 932 934 935 936 -0.18 936 934 H11 SLES 1 14.7249 -7.01654 29.4849 HAL2 933 0 0 0 0.09 937 935 H12 SLES 1 16.2385 -7.52294 28.6534 HAL2 933 0 0 0 0.09 938 936 C2 SLES 1 14.3852 -8.30136 27.7178 CTL2 933 937 938 939 -0.18 939 937 H21 SLES 1 14.1172 -9.37679 27.8199 HAL2 936 0 0 0 0.09 940 938 H22 SLES 1 15.01 -8.18938 26.8047 HAL2 936 0 0 0 0.09 941 939 C3 SLES 1 13.0409 -7.44039 27.5449 CTL2 936 940 941 942 -0.18 942 940 H31 SLES 1 12.174 -8.05301 27.8788 HAL2 939 0 0 0 0.09 943 941 H32 SLES 1 13.0975 -6.54694 28.1981 HAL2 939 0 0 0 0.09 944 942 C4 SLES 1 12.7934 -6.97073 26.0514 CTL2 939 943 944 945 -0.18 945 943 H41 SLES 1 12.0237 -7.62505 25.5915 HAL2 942 0 0 0 0.09 946 944 H42 SLES 1 13.7339 -7.08857 25.4712 HAL2 942 0 0 0 0.09 947 945 C5 SLES 1 12.3128 -5.45259 25.9564 CTL2 942 946 947 948 -0.18 948 946 H51 SLES 1 11.9359 -5.12813 26.9515 HAL2 945 0 0 0 0.09 949 947 H52 SLES 1 13.1856 -4.81149 25.6955 HAL2 945 0 0 0 0.09 950 948 C6 SLES 1 11.1783 -5.23382 24.8857 CTL2 945 949 950 951 -0.18 951 949 H61 SLES 1 10.2298 -5.67447 25.2669 HAL2 948 0 0 0 0.09 952 950 H62 SLES 1 11.0168 -4.13912 24.7478 HAL2 948 0 0 0 0.09 953 951 C7 SLES 1 11.5186 -5.87548 23.5034 CTL2 948 952 953 954 -0.18 954 952 H71 SLES 1 11.2858 -6.96274 23.541 HAL2 951 0 0 0 0.09 955 953 H72 SLES 1 12.6086 -5.76406 23.3089 HAL2 951 0 0 0 0.09 956 954 C8 SLES 1 10.7292 -5.23199 22.3362 CTL2 951 955 956 957 -0.18 957 955 H81 SLES 1 9.65829 -5.13794 22.629 HAL2 954 0 0 0 0.09 958 956 H82 SLES 1 11.126 -4.20817 22.1494 HAL2 954 0 0 0 0.09 959 957 C9 SLES 1 10.8259 -6.05884 21.0296 CTL2 954 958 959 960 -0.18 960 958 H91 SLES 1 10.4565 -7.09116 21.225 HAL2 957 0 0 0 0.09 961 959 H92 SLES 1 11.8938 -6.12863 20.7226 HAL2 957 0 0 0 0.09 962 960 C10 SLES 1 10.0072 -5.44116 19.8714 CTL2 957 961 962 963 -0.18 963 961 H10 SLES 1 8.93495 -5.39275 20.1694 HAL2 960 0 0 0 0.09 964 962 H10 SLES 1 10.3611 -4.40101 19.6901 HAL2 960 0 0 0 0.09 965 963 C11 SLES 1 10.1311 -6.25505 18.556 CTL2 960 964 965 966 -0.18 966 964 H11 SLES 1 9.76951 -7.29249 18.7407 HAL2 963 0 0 0 0.09 967 965 H11 SLES 1 11.2065 -6.31591 18.2718 HAL2 963 0 0 0 0.09 968 966 C12 SLES 1 9.3343 -5.65178 17.3704 CTL3 963 967 968 969 -0.27 969 967 H12 SLES 1 8.58523 -6.38386 16.9958 HAL3 966 0 0 0 0.09 970 968 H12 SLES 1 10.0218 -5.38987 16.5361 HAL3 966 0 0 0 0.09 971 969 H12 SLES 1 8.80006 -4.73114 17.6915 HAL3 966 0 0 0 0.09 972 970 NA SLES 1 13.4091 -20.7249 36.6436 NA 0 0 0 0 1 973 971 S SLES 1 11.5732 -17.6368 37.3097 SL 972 973 974 975 1.33 974 972 OS1 SLES 1 11.9645 -18.1941 35.7788 OSL 971 976 0 0 -0.28 975 973 OS2 SLES 1 10.7962 -18.6844 37.9393 O2L 971 0 0 0 -0.65 976 974 OS3 SLES 1 12.8292 -17.4671 38.0099 O2L 971 0 0 0 -0.65 977 975 OS4 SLES 1 10.8262 -16.3893 37.3243 O2L 971 0 0 0 -0.65 978 976 C2 SLES 1 11.2792 -17.3742 34.7403 CC32A 972 977 978 979 -0.11 979 977 H2A SLES 1 10.1672 -17.3609 34.9148 HCA2 976 0 0 0 0.09 980 978 H2B SLES 1 11.6702 -16.3208 34.8014 HCA2 976 0 0 0 0.09 981 979 C1 SLES 1 11.5916 -17.984 33.2924 CC32A 976 980 981 982 -0.01 982 980 H1B SLES 1 11.2853 -19.0549 33.2579 HCA2 979 0 0 0 0.09 983 981 H1A SLES 1 12.684 -17.9158 33.0794 HCA2 979 0 0 0 0.09 984 982 O1 SLES 1 10.9486 -17.4133 32.0929 OC30A 979 983 0 0 -0.34 985 983 C2 SLES 1 10.387 -16.091 32.229 CC32A 982 984 985 986 -0.01 986 984 H2A SLES 1 9.62647 -16.2492 33.0186 HCA2 983 0 0 0 0.09 987 985 H2B SLES 1 11.2358 -15.5132 32.6592 HCA2 983 0 0 0 0.09 988 986 C1 SLES 1 9.75224 -15.29 31.0488 CC32A 983 987 988 989 -0.01 989 987 H1B SLES 1 8.66265 -15.504 30.9934 HCA2 986 0 0 0 0.09 990 988 H1A SLES 1 9.8925 -14.2049 31.2258 HCA2 986 0 0 0 0.09 991 989 O1 SLES 1 10.1219 -15.4962 29.6475 OC30A 986 990 0 0 -0.34 992 990 C1 SLES 1 9.99778 -14.3045 28.7882 CTL2 989 991 992 993 -0.18 993 991 H11 SLES 1 9.45885 -13.5364 29.372 HAL2 990 0 0 0 0.09 994 992 H12 SLES 1 11.0592 -13.9966 28.6895 HAL2 990 0 0 0 0.09 995 993 C2 SLES 1 9.34356 -14.4379 27.3563 CTL2 990 994 995 996 -0.18 996 994 H21 SLES 1 9.01034 -15.489 27.2042 HAL2 993 0 0 0 0.09 997 995 H22 SLES 1 10.111 -14.2072 26.5854 HAL2 993 0 0 0 0.09 998 996 C3 SLES 1 8.08798 -13.4564 27.1597 CTL2 993 997 998 999 -0.18 999 997 H31 SLES 1 7.14991 -14.0503 27.2352 HAL2 996 0 0 0 0.09 1000 998 H32 SLES 1 8.08306 -12.7079 27.977 HAL2 996 0 0 0 0.09 1001 999 C4 SLES 1 8.10582 -12.6983 25.768 CTL2 996 1000 1001 1002 -0.18 1002 1000 H41 SLES 1 7.38843 -13.1924 25.08 HAL2 999 0 0 0 0.09 1003 1001 H42 SLES 1 9.12007 -12.7796 25.321 HAL2 999 0 0 0 0.09 1004 1002 C5 SLES 1 7.72151 -11.156 25.9036 CTL2 999 1003 1004 1005 -0.18 1005 1003 H51 SLES 1 7.2067 -10.9942 26.8763 HAL2 1002 0 0 0 0.09 1006 1004 H52 SLES 1 8.65518 -10.5483 25.9054 HAL2 1002 0 0 0 0.09 1007 1005 C6 SLES 1 6.78494 -10.6523 24.7414 CTL2 1002 1006 1007 1008 -0.18 1008 1006 H61 SLES 1 5.76728 -11.0801 24.8844 HAL2 1005 0 0 0 0.09 1009 1007 H62 SLES 1 6.70146 -9.54186 24.7992 HAL2 1005 0 0 0 0.09 1010 1008 C7 SLES 1 7.31007 -11.0495 23.3255 CTL2 1005 1009 1010 1011 -0.18 1011 1009 H71 SLES 1 7.02129 -12.1029 23.1139 HAL2 1008 0 0 0 0.09 1012 1010 H72 SLES 1 8.42127 -10.9902 23.3196 HAL2 1008 0 0 0 0.09 1013 1011 C8 SLES 1 6.74995 -10.1392 22.2043 CTL2 1008 1012 1013 1014 -0.18 1014 1012 H81 SLES 1 5.65192 -10.0173 22.3487 HAL2 1011 0 0 0 0.09 1015 1013 H82 SLES 1 7.22125 -9.13311 22.283 HAL2 1011 0 0 0 0.09 1016 1014 C9 SLES 1 7.01375 -10.7127 20.7894 CTL2 1011 1015 1016 1017 -0.18 1017 1015 H91 SLES 1 6.56772 -11.7309 20.7213 HAL2 1014 0 0 0 0.09 1018 1016 H92 SLES 1 8.11227 -10.808 20.6355 HAL2 1014 0 0 0 0.09 1019 1017 C10 SLES 1 6.422 -9.82702 19.6674 CTL2 1014 1018 1019 1020 -0.18 1020 1018 H10 SLES 1 5.31962 -9.75062 19.8077 HAL2 1017 0 0 0 0.09 1021 1019 H10 SLES 1 6.8509 -8.80257 19.7485 HAL2 1017 0 0 0 0.09 1022 1020 C11 SLES 1 6.71466 -10.3883 18.2507 CTL2 1017 1021 1022 1023 -0.18 1023 1021 H11 SLES 1 6.27783 -11.4101 18.1723 HAL2 1020 0 0 0 0.09 1024 1022 H11 SLES 1 7.81737 -10.4797 18.1218 HAL2 1020 0 0 0 0.09 1025 1023 C12 SLES 1 6.14825 -9.51337 17.1025 CTL3 1020 1024 1025 1026 -0.27 1026 1024 H12 SLES 1 5.43377 -10.1012 16.485 HAL3 1023 0 0 0 0.09 1027 1025 H12 SLES 1 6.97235 -9.15544 16.4467 HAL3 1023 0 0 0 0.09 1028 1026 H12 SLES 1 5.61528 -8.6296 17.5161 HAL3 1023 0 0 0 0.09 1029 1027 NA SLES 1 3.39474 -24.885 36.3496 NA 0 0 0 0 1 1030 1028 S SLES 1 1.62918 -21.7346 36.9048 SL 1029 1030 1031 1032 1.33 1031 1029 OS1 SLES 1 2.33246 -22.1823 35.4514 OSL 1028 1033 0 0 -0.28 1032 1030 OS2 SLES 1 0.670612 -22.7702 37.2307 O2L 1028 0 0 0 -0.65 1033 1031 OS3 SLES 1 2.69661 -21.7264 37.8831 O2L 1028 0 0 0 -0.65 1034 1032 OS4 SLES 1 0.969666 -20.4389 36.8813 O2L 1028 0 0 0 -0.65 1035 1033 C2 SLES 1 1.95268 -21.2224 34.3769 CC32A 1029 1034 1035 1036 -0.11 1036 1034 H2A SLES 1 0.83298 -21.1379 34.2974 HCA2 1033 0 0 0 0.09 1037 1035 H2B SLES 1 2.37686 -20.2123 34.634 HCA2 1033 0 0 0 0.09 1038 1036 C1 SLES 1 2.55713 -21.7235 32.9807 CC32A 1033 1037 1038 1039 -0.01 1039 1037 H1B SLES 1 2.20798 -22.7598 32.7666 HCA2 1036 0 0 0 0.09 1040 1038 H1A SLES 1 3.67114 -21.722 33.027 HCA2 1036 0 0 0 0.09 1041 1039 O1 SLES 1 2.24176 -20.9999 31.7337 OC30A 1036 1040 0 0 -0.34 1042 1040 C2 SLES 1 1.73832 -19.6551 31.8775 CC32A 1039 1041 1042 1043 -0.01 1043 1041 H2A SLES 1 0.808197 -19.8232 32.455 HCA2 1040 0 0 0 0.09 1044 1042 H2B SLES 1 2.49534 -19.1859 32.5454 HCA2 1040 0 0 0 0.09 1045 1043 C1 SLES 1 1.43937 -18.7053 30.6751 CC32A 1040 1044 1045 1046 -0.01 1046 1044 H1B SLES 1 0.381985 -18.8278 30.3542 HCA2 1043 0 0 0 0.09 1047 1045 H1A SLES 1 1.59501 -17.6545 30.9914 HCA2 1043 0 0 0 0.09 1048 1046 O1 SLES 1 2.11111 -18.8143 29.379 OC30A 1043 1047 0 0 -0.34 1049 1047 C1 SLES 1 2.25561 -17.5448 28.6431 CTL2 1046 1048 1049 1050 -0.18 1050 1048 H11 SLES 1 1.63984 -16.792 29.1677 HAL2 1047 0 0 0 0.09 1051 1049 H12 SLES 1 3.32655 -17.3131 28.8182 HAL2 1047 0 0 0 0.09 1052 1050 C2 SLES 1 1.94402 -17.4989 27.0949 CTL2 1047 1051 1052 1053 -0.18 1053 1051 H21 SLES 1 1.59708 -18.503 26.7629 HAL2 1050 0 0 0 0.09 1054 1052 H22 SLES 1 2.88063 -17.2611 26.5446 HAL2 1050 0 0 0 0.09 1055 1053 C3 SLES 1 0.82453 -16.4088 26.7248 CTL2 1050 1054 1055 1056 -0.18 1056 1054 H31 SLES 1 -0.137075 -16.932 26.525 HAL2 1053 0 0 0 0.09 1057 1055 H32 SLES 1 0.672326 -15.7379 27.5936 HAL2 1053 0 0 0 0.09 1058 1056 C4 SLES 1 1.20599 -15.5336 25.4596 CTL2 1053 1057 1058 1059 -0.18 1059 1057 H41 SLES 1 0.640858 -15.9071 24.5803 HAL2 1056 0 0 0 0.09 1060 1058 H42 SLES 1 2.28997 -15.6537 25.2461 HAL2 1056 0 0 0 0.09 1061 1059 C5 SLES 1 0.88711 -13.9842 25.6657 CTL2 1056 1060 1061 1062 -0.18 1062 1060 H51 SLES 1 0.17105 -13.8699 26.5093 HAL2 1059 0 0 0 0.09 1063 1061 H52 SLES 1 1.82734 -13.4538 25.9408 HAL2 1059 0 0 0 0.09 1064 1062 C6 SLES 1 0.274279 -13.3076 24.3819 CTL2 1059 1063 1064 1065 -0.18 1065 1063 H61 SLES 1 -0.771019 -13.6657 24.247 HAL2 1062 0 0 0 0.09 1066 1064 H62 SLES 1 0.241593 -12.2036 24.5351 HAL2 1062 0 0 0 0.09 1067 1065 C7 SLES 1 1.08978 -13.6171 23.0867 CTL2 1062 1066 1067 1068 -0.18 1068 1066 H71 SLES 1 0.799679 -14.6217 22.7067 HAL2 1065 0 0 0 0.09 1069 1067 H72 SLES 1 2.17375 -13.6443 23.337 HAL2 1065 0 0 0 0.09 1070 1068 C8 SLES 1 0.855745 -12.5697 21.9697 CTL2 1065 1069 1070 1071 -0.18 1071 1069 H81 SLES 1 -0.237377 -12.3758 21.8755 HAL2 1068 0 0 0 0.09 1072 1070 H82 SLES 1 1.35126 -11.6145 22.2569 HAL2 1068 0 0 0 0.09 1073 1071 C9 SLES 1 1.40739 -13.0339 20.5983 CTL2 1068 1072 1073 1074 -0.18 1074 1072 H91 SLES 1 0.933283 -14.0041 20.3258 HAL2 1071 0 0 0 0.09 1075 1073 H92 SLES 1 2.50465 -13.2006 20.6862 HAL2 1071 0 0 0 0.09 1076 1074 C10 SLES 1 1.14143 -12.0085 19.4709 CTL2 1071 1075 1076 1077 -0.18 1077 1075 H10 SLES 1 0.0424904 -11.8591 19.367 HAL2 1074 0 0 0 0.09 1078 1076 H10 SLES 1 1.59623 -11.0319 19.7528 HAL2 1074 0 0 0 0.09 1079 1077 C11 SLES 1 1.72221 -12.4626 18.1054 CTL2 1074 1078 1079 1080 -0.18 1080 1078 H11 SLES 1 1.25922 -13.4362 17.8246 HAL2 1077 0 0 0 0.09 1081 1079 H11 SLES 1 2.81798 -12.628 18.2189 HAL2 1077 0 0 0 0.09 1082 1080 C12 SLES 1 1.48632 -11.4475 16.9572 CTL3 1077 1081 1082 1083 -0.27 1083 1081 H12 SLES 1 0.902511 -11.9206 16.137 HAL3 1080 0 0 0 0.09 1084 1082 H12 SLES 1 2.45837 -11.0981 16.5444 HAL3 1080 0 0 0 0.09 1085 1083 H12 SLES 1 0.922133 -10.5652 17.3304 HAL3 1080 0 0 0 0.09 1086 1084 NA SLES 1 -7.53703 -23.976 36.3377 NA 0 0 0 0 1 1087 1085 S SLES 1 -9.15264 -20.6993 36.3975 SL 1086 1087 1088 1089 1.33 1088 1086 OS1 SLES 1 -8.14504 -21.2357 35.171 OSL 1085 1090 0 0 -0.28 1089 1087 OS2 SLES 1 -10.2344 -21.6582 36.4861 O2L 1085 0 0 0 -0.65 1090 1088 OS3 SLES 1 -8.36358 -20.7339 37.6111 O2L 1085 0 0 0 -0.65 1091 1089 OS4 SLES 1 -9.69027 -19.3635 36.1949 O2L 1085 0 0 0 -0.65 1092 1090 C2 SLES 1 -8.17597 -20.2845 34.0245 CC32A 1086 1091 1092 1093 -0.11 1093 1091 H2A SLES 1 -9.23182 -20.1276 33.6671 HCA2 1090 0 0 0 0.09 1094 1092 H2B SLES 1 -7.75697 -19.298 34.3674 HCA2 1090 0 0 0 0.09 1095 1093 C1 SLES 1 -7.28189 -20.8659 32.8293 CC32A 1090 1094 1095 1096 -0.01 1096 1094 H1B SLES 1 -7.64098 -21.8824 32.5471 HCA2 1093 0 0 0 0.09 1097 1095 H1A SLES 1 -6.21711 -20.9378 33.1521 HCA2 1093 0 0 0 0.09 1098 1096 O1 SLES 1 -7.22491 -20.1599 31.5346 OC30A 1093 1097 0 0 -0.34 1099 1097 C2 SLES 1 -7.64971 -18.7807 31.5323 CC32A 1096 1098 1099 1100 -0.01 1100 1098 H2A SLES 1 -8.70365 -18.8689 31.8614 HCA2 1097 0 0 0 0.09 1101 1099 H2B SLES 1 -7.05017 -18.3438 32.3624 HCA2 1097 0 0 0 0.09 1102 1100 C1 SLES 1 -7.57155 -17.8488 30.2822 CC32A 1097 1101 1102 1103 -0.01 1103 1101 H1B SLES 1 -8.52227 -17.9094 29.7091 HCA2 1100 0 0 0 0.09 1104 1102 H1A SLES 1 -7.42371 -16.8019 30.615 HCA2 1100 0 0 0 0.09 1105 1103 O1 SLES 1 -6.60897 -18.0406 29.1962 OC30A 1100 1104 0 0 -0.34 1106 1104 C1 SLES 1 -6.19505 -16.8059 28.5047 CTL2 1103 1105 1106 1107 -0.18 1107 1105 H11 SLES 1 -6.86565 -15.9984 28.8502 HAL2 1104 0 0 0 0.09 1108 1106 H12 SLES 1 -5.18717 -16.6415 28.9388 HAL2 1104 0 0 0 0.09 1109 1107 C2 SLES 1 -6.10865 -16.7848 26.9273 CTL2 1104 1108 1109 1110 -0.18 1110 1108 H21 SLES 1 -6.43403 -17.7727 26.5311 HAL2 1107 0 0 0 0.09 1111 1109 H22 SLES 1 -5.05015 -16.6266 26.6254 HAL2 1107 0 0 0 0.09 1112 1110 C3 SLES 1 -7.01951 -15.6335 26.2767 CTL2 1107 1111 1112 1113 -0.18 1113 1111 H31 SLES 1 -7.93672 -16.0966 25.8495 HAL2 1110 0 0 0 0.09 1114 1112 H32 SLES 1 -7.33359 -14.9286 27.0721 HAL2 1110 0 0 0 0.09 1115 1113 C4 SLES 1 -6.27387 -14.8234 25.1365 CTL2 1110 1114 1115 1116 -0.18 1116 1114 H41 SLES 1 -6.62866 -15.1839 24.1484 HAL2 1113 0 0 0 0.09 1117 1115 H42 SLES 1 -5.18243 -15.0222 25.2017 HAL2 1113 0 0 0 0.09 1118 1116 C5 SLES 1 -6.52106 -13.2507 25.2382 CTL2 1113 1117 1118 1119 -0.18 1119 1117 H51 SLES 1 -7.41382 -13.0639 25.875 HAL2 1116 0 0 0 0.09 1120 1118 H52 SLES 1 -5.64267 -12.7768 25.7329 HAL2 1116 0 0 0 0.09 1121 1119 C6 SLES 1 -6.74569 -12.5727 23.8342 CTL2 1116 1120 1121 1122 -0.18 1122 1120 H61 SLES 1 -7.7479 -12.8636 23.4469 HAL2 1119 0 0 0 0.09 1123 1121 H62 SLES 1 -6.73546 -11.4649 23.9613 HAL2 1119 0 0 0 0.09 1124 1122 C7 SLES 1 -5.65894 -12.9741 22.7873 CTL2 1119 1123 1124 1125 -0.18 1125 1123 H71 SLES 1 -5.91753 -13.9677 22.3588 HAL2 1122 0 0 0 0.09 1126 1124 H72 SLES 1 -4.67583 -13.0666 23.3004 HAL2 1122 0 0 0 0.09 1127 1125 C8 SLES 1 -5.53219 -11.9468 21.6348 CTL2 1122 1126 1127 1128 -0.18 1128 1126 H81 SLES 1 -6.55081 -11.6828 21.2686 HAL2 1125 0 0 0 0.09 1129 1127 H82 SLES 1 -5.05572 -11.0188 22.0254 HAL2 1125 0 0 0 0.09 1130 1128 C9 SLES 1 -4.69263 -12.487 20.4501 CTL2 1125 1129 1130 1131 -0.18 1131 1129 H91 SLES 1 -5.15314 -13.4308 20.0793 HAL2 1128 0 0 0 0.09 1132 1130 H92 SLES 1 -3.66648 -12.7243 20.811 HAL2 1128 0 0 0 0.09 1133 1131 C10 SLES 1 -4.59573 -11.4797 19.2799 CTL2 1128 1132 1133 1134 -0.18 1134 1132 H10 SLES 1 -5.62078 -11.26 18.9034 HAL2 1131 0 0 0 0.09 1135 1133 H10 SLES 1 -4.15573 -10.5279 19.6549 HAL2 1131 0 0 0 0.09 1136 1134 C11 SLES 1 -3.72876 -12.0118 18.1081 CTL2 1131 1135 1136 1137 -0.18 1137 1135 H11 SLES 1 -4.17674 -12.96 17.7322 HAL2 1134 0 0 0 0.09 1138 1136 H11 SLES 1 -2.71031 -12.2469 18.4934 HAL2 1134 0 0 0 0.09 1139 1137 C12 SLES 1 -3.59841 -11.0174 16.9254 CTL3 1134 1138 1139 1140 -0.27 1140 1138 H12 SLES 1 -3.9931 -11.4741 15.9911 HAL3 1137 0 0 0 0.09 1141 1139 H12 SLES 1 -2.53171 -10.7462 16.7642 HAL3 1137 0 0 0 0.09 1142 1140 H12 SLES 1 -4.17223 -10.0886 17.1356 HAL3 1137 0 0 0 0.09 1143 1141 NA SLES 1 -17.0078 -18.1394 36.5209 NA 0 0 0 0 1 1144 1142 S SLES 1 -18.3092 -14.7988 35.8159 SL 1143 1144 1145 1146 1.33 1145 1143 OS1 SLES 1 -17.1184 -15.5602 34.9161 OSL 1142 1147 0 0 -0.28 1146 1144 OS2 SLES 1 -19.4648 -15.6713 35.7853 O2L 1142 0 0 0 -0.65 1147 1145 OS3 SLES 1 -17.7968 -14.7078 37.1671 O2L 1142 0 0 0 -0.65 1148 1146 OS4 SLES 1 -18.6745 -13.4759 35.3353 O2L 1142 0 0 0 -0.65 1149 1147 C2 SLES 1 -16.8267 -14.7798 33.6807 CC32A 1143 1148 1149 1150 -0.11 1150 1148 H2A SLES 1 -17.767 -14.6138 33.0846 HCA2 1147 0 0 0 0.09 1151 1149 H2B SLES 1 -16.4043 -13.7809 33.9807 HCA2 1147 0 0 0 0.09 1152 1150 C1 SLES 1 -15.7569 -15.5747 32.7921 CC32A 1147 1151 1152 1153 -0.01 1153 1151 H1B SLES 1 -16.1362 -16.5982 32.5677 HCA2 1150 0 0 0 0.09 1154 1152 H1A SLES 1 -14.7933 -15.6621 33.3461 HCA2 1150 0 0 0 0.09 1155 1153 O1 SLES 1 -15.3699 -15.0626 31.4632 OC30A 1150 1154 0 0 -0.34 1156 1154 C2 SLES 1 -15.6633 -13.6752 31.1957 CC32A 1153 1155 1156 1157 -0.01 1157 1155 H2A SLES 1 -16.7663 -13.6549 31.2949 HCA2 1154 0 0 0 0.09 1158 1156 H2B SLES 1 -15.2145 -13.1613 32.0753 HCA2 1154 0 0 0 0.09 1159 1157 C1 SLES 1 -15.2453 -12.9348 29.8863 CC32A 1154 1158 1159 1160 -0.01 1160 1158 H1B SLES 1 -16.0572 -13.0203 29.1315 HCA2 1157 0 0 0 0.09 1161 1159 H1A SLES 1 -15.0797 -11.8618 30.1096 HCA2 1157 0 0 0 0.09 1162 1160 O1 SLES 1 -14.0978 -13.3333 29.0695 OC30A 1157 1161 0 0 -0.34 1163 1161 C1 SLES 1 -13.4429 -12.2345 28.3362 CTL2 1160 1162 1163 1164 -0.18 1164 1162 H11 SLES 1 -14.098 -11.3488 28.423 HAL2 1161 0 0 0 0.09 1165 1163 H12 SLES 1 -12.5374 -12.0693 28.9559 HAL2 1161 0 0 0 0.09 1166 1164 C2 SLES 1 -13.0278 -12.4408 26.8258 CTL2 1161 1165 1166 1167 -0.18 1167 1165 H21 SLES 1 -13.348 -13.4541 26.4949 HAL2 1164 0 0 0 0.09 1168 1166 H22 SLES 1 -11.92 -12.3885 26.7451 HAL2 1164 0 0 0 0.09 1169 1167 C3 SLES 1 -13.6793 -11.3417 25.8531 CTL2 1164 1168 1169 1170 -0.18 1170 1168 H31 SLES 1 -14.5239 -11.8064 25.2973 HAL2 1167 0 0 0 0.09 1171 1169 H32 SLES 1 -14.0899 -10.5147 26.4661 HAL2 1167 0 0 0 0.09 1172 1170 C4 SLES 1 -12.6446 -10.745 24.8112 CTL2 1167 1171 1172 1173 -0.18 1173 1171 H41 SLES 1 -12.8154 -11.2199 23.8226 HAL2 1170 0 0 0 0.09 1174 1172 H42 SLES 1 -11.6123 -10.9956 25.1376 HAL2 1170 0 0 0 0.09 1175 1173 C5 SLES 1 -12.7699 -9.16198 24.6589 CTL2 1170 1174 1175 1176 -0.18 1176 1174 H51 SLES 1 -13.7562 -8.83582 25.0568 HAL2 1173 0 0 0 0.09 1177 1175 H52 SLES 1 -11.9762 -8.67487 25.2702 HAL2 1173 0 0 0 0.09 1178 1176 C6 SLES 1 -12.6368 -8.67661 23.1662 CTL2 1173 1177 1178 1179 -0.18 1179 1177 H61 SLES 1 -13.5576 -8.96058 22.6089 HAL2 1176 0 0 0 0.09 1180 1178 H62 SLES 1 -12.5571 -7.56445 23.1528 HAL2 1176 0 0 0 0.09 1181 1179 C7 SLES 1 -11.3947 -9.28394 22.4406 CTL2 1176 1180 1181 1182 -0.18 1182 1180 H71 SLES 1 -11.6436 -10.3113 22.0937 HAL2 1179 0 0 0 0.09 1183 1181 H72 SLES 1 -10.5521 -9.36012 23.1635 HAL2 1179 0 0 0 0.09 1184 1182 C8 SLES 1 -10.9415 -8.43829 21.2244 CTL2 1179 1183 1184 1185 -0.18 1185 1183 H81 SLES 1 -11.8344 -8.16986 20.6144 HAL2 1182 0 0 0 0.09 1186 1184 H82 SLES 1 -10.4781 -7.49383 21.5903 HAL2 1182 0 0 0 0.09 1187 1185 C9 SLES 1 -9.92345 -9.18789 20.3288 CTL2 1182 1186 1187 1188 -0.18 1188 1186 H91 SLES 1 -10.3768 -10.1462 19.9875 HAL2 1185 0 0 0 0.09 1189 1187 H92 SLES 1 -9.01978 -9.43109 20.9319 HAL2 1185 0 0 0 0.09 1190 1188 C10 SLES 1 -9.49734 -8.36281 19.0915 CTL2 1185 1189 1190 1191 -0.18 1191 1189 H10 SLES 1 -10.3982 -8.13927 18.4756 HAL2 1188 0 0 0 0.09 1192 1190 H10 SLES 1 -9.06419 -7.39488 19.4314 HAL2 1188 0 0 0 0.09 1193 1191 C11 SLES 1 -8.45458 -9.10408 18.2133 CTL2 1188 1192 1193 1194 -0.18 1194 1192 H11 SLES 1 -8.89499 -10.0682 17.8703 HAL2 1191 0 0 0 0.09 1195 1193 H11 SLES 1 -7.5633 -9.34127 18.8381 HAL2 1191 0 0 0 0.09 1196 1194 C12 SLES 1 -7.9944 -8.29546 16.9728 CTL3 1191 1195 1196 1197 -0.27 1197 1195 H12 SLES 1 -8.22367 -8.85559 16.0395 HAL3 1194 0 0 0 0.09 1198 1196 H12 SLES 1 -6.8981 -8.11209 17.0159 HAL3 1194 0 0 0 0.09 1199 1197 H12 SLES 1 -8.51645 -7.31457 16.9346 HAL3 1194 0 0 0 0.09 1200 1198 NA SLES 1 -22.9559 -8.53707 36.7726 NA 0 0 0 0 1 1201 1199 S SLES 1 -23.8546 -5.3626 35.2024 SL 1200 1201 1202 1203 1.33 1202 1200 OS1 SLES 1 -22.6349 -6.37525 34.66 OSL 1199 1204 0 0 -0.28 1203 1201 OS2 SLES 1 -25.0712 -6.14831 35.195 O2L 1199 0 0 0 -0.65 1204 1202 OS3 SLES 1 -23.5072 -5.0061 36.5621 O2L 1199 0 0 0 -0.65 1205 1203 OS4 SLES 1 -24.0373 -4.15927 34.4068 O2L 1199 0 0 0 -0.65 1206 1204 C2 SLES 1 -22.1236 -5.90691 33.341 CC32A 1200 1205 1206 1207 -0.11 1207 1205 H2A SLES 1 -22.9642 -5.8201 32.5974 HCA2 1204 0 0 0 0.09 1208 1206 H2B SLES 1 -21.6536 -4.89392 33.4795 HCA2 1204 0 0 0 0.09 1209 1207 C1 SLES 1 -21.0279 -6.94228 32.7995 CC32A 1204 1208 1209 1210 -0.01 1210 1208 H1B SLES 1 -21.467 -7.96508 32.7454 HCA2 1207 0 0 0 0.09 1211 1209 H1A SLES 1 -20.152 -6.96329 33.489 HCA2 1207 0 0 0 0.09 1212 1210 O1 SLES 1 -20.4351 -6.76153 31.4602 OC30A 1207 1211 0 0 -0.34 1213 1211 C2 SLES 1 -20.5673 -5.45257 30.8671 CC32A 1210 1212 1213 1214 -0.01 1214 1212 H2A SLES 1 -21.6677 -5.34377 30.8041 HCA2 1211 0 0 0 0.09 1215 1213 H2B SLES 1 -20.1864 -4.78493 31.6724 HCA2 1211 0 0 0 0.09 1216 1214 C1 SLES 1 -19.9257 -5.04719 29.5028 CC32A 1211 1215 1216 1217 -0.01 1217 1215 H1B SLES 1 -20.6423 -5.24817 28.6768 HCA2 1214 0 0 0 0.09 1218 1216 H1A SLES 1 -19.6932 -3.96349 29.5154 HCA2 1214 0 0 0 0.09 1219 1217 O1 SLES 1 -18.7264 -5.68557 28.9579 OC30A 1214 1218 0 0 -0.34 1220 1218 C1 SLES 1 -17.8898 -4.81821 28.1083 CTL2 1217 1219 1220 1221 -0.18 1221 1219 H11 SLES 1 -18.4684 -3.89713 27.9132 HAL2 1218 0 0 0 0.09 1222 1220 H12 SLES 1 -17.0567 -4.57532 28.7999 HAL2 1218 0 0 0 0.09 1223 1221 C2 SLES 1 -17.3112 -5.37863 26.7491 CTL2 1218 1222 1223 1224 -0.18 1224 1222 H21 SLES 1 -17.6778 -6.41866 26.5981 HAL2 1221 0 0 0 0.09 1225 1223 H22 SLES 1 -16.2017 -5.41288 26.8153 HAL2 1221 0 0 0 0.09 1226 1224 C3 SLES 1 -17.7359 -4.4846 25.4846 CTL2 1221 1225 1226 1227 -0.18 1227 1225 H31 SLES 1 -18.5436 -5.00859 24.9266 HAL2 1224 0 0 0 0.09 1228 1226 H32 SLES 1 -18.1433 -3.51907 25.8453 HAL2 1224 0 0 0 0.09 1229 1227 C4 SLES 1 -16.5309 -4.19733 24.4959 CTL2 1224 1228 1229 1230 -0.18 1230 1228 H41 SLES 1 -16.6201 -4.868 23.6159 HAL2 1227 0 0 0 0.09 1231 1229 H42 SLES 1 -15.5737 -4.43179 25.0094 HAL2 1227 0 0 0 0.09 1232 1230 C5 SLES 1 -16.4937 -2.68271 23.9966 CTL2 1227 1231 1232 1233 -0.18 1233 1231 H51 SLES 1 -17.4883 -2.21724 24.1742 HAL2 1230 0 0 0 0.09 1234 1232 H52 SLES 1 -15.7412 -2.12151 24.5964 HAL2 1230 0 0 0 0.09 1235 1233 C6 SLES 1 -16.1339 -2.54881 22.4688 CTL2 1230 1234 1235 1236 -0.18 1236 1234 H61 SLES 1 -17.0004 -2.8926 21.8605 HAL2 1233 0 0 0 0.09 1237 1235 H62 SLES 1 -15.9535 -1.47415 22.2322 HAL2 1233 0 0 0 0.09 1238 1236 C7 SLES 1 -14.8711 -3.37603 22.0695 CTL2 1233 1237 1238 1239 -0.18 1239 1237 H71 SLES 1 -15.1665 -4.43762 21.916 HAL2 1236 0 0 0 0.09 1240 1238 H72 SLES 1 -14.1348 -3.34137 22.9031 HAL2 1236 0 0 0 0.09 1241 1239 C8 SLES 1 -14.1968 -2.84973 20.778 CTL2 1236 1240 1241 1242 -0.18 1242 1240 H81 SLES 1 -14.9796 -2.66922 20.006 HAL2 1239 0 0 0 0.09 1243 1241 H82 SLES 1 -13.6993 -1.87764 20.9975 HAL2 1239 0 0 0 0.09 1244 1242 C9 SLES 1 -13.1473 -3.83942 20.2129 CTL2 1239 1243 1244 1245 -0.18 1245 1243 H91 SLES 1 -13.6391 -4.82014 20.0215 HAL2 1242 0 0 0 0.09 1246 1244 H92 SLES 1 -12.3507 -3.99755 20.9744 HAL2 1242 0 0 0 0.09 1247 1245 C10 SLES 1 -12.499 -3.33617 18.9015 CTL2 1242 1246 1247 1248 -0.18 1248 1246 H10 SLES 1 -13.293 -3.20018 18.1321 HAL2 1245 0 0 0 0.09 1249 1247 H10 SLES 1 -12.026 -2.34518 19.0866 HAL2 1245 0 0 0 0.09 1250 1248 C11 SLES 1 -11.4265 -4.31541 18.3549 CTL2 1245 1249 1250 1251 -0.18 1251 1249 H11 SLES 1 -11.9059 -5.30293 18.1649 HAL2 1248 0 0 0 0.09 1252 1250 H11 SLES 1 -10.6443 -4.46214 19.1344 HAL2 1248 0 0 0 0.09 1253 1251 C12 SLES 1 -10.7456 -3.83095 17.0487 CTL3 1248 1252 1253 1254 -0.27 1254 1252 H12 SLES 1 -10.907 -4.56879 16.2321 HAL3 1251 0 0 0 0.09 1255 1253 H12 SLES 1 -9.651 -3.70959 17.2054 HAL3 1251 0 0 0 0.09 1256 1254 H12 SLES 1 -11.1686 -2.85299 16.7313 HAL3 1251 0 0 0 0.09 1257 1255 NA SLES 1 -24.0435 2.874 36.9558 NA 0 0 0 0 1 1258 1256 S SLES 1 -24.6616 5.60124 34.6041 SL 1257 1258 1259 1260 1.33 1259 1257 OS1 SLES 1 -23.5212 4.39503 34.3764 OSL 1256 1261 0 0 -0.28 1260 1258 OS2 SLES 1 -25.9377 4.93333 34.7556 O2L 1256 0 0 0 -0.65 1261 1259 OS3 SLES 1 -24.3039 6.2656 35.8399 O2L 1256 0 0 0 -0.65 1262 1260 OS4 SLES 1 -24.7359 6.57205 33.5241 O2L 1256 0 0 0 -0.65 1263 1261 C2 SLES 1 -22.9567 4.47171 32.9995 CC32A 1257 1262 1263 1264 -0.11 1264 1262 H2A SLES 1 -23.7778 4.42888 32.2307 HCA2 1261 0 0 0 0.09 1265 1263 H2B SLES 1 -22.4078 5.44822 32.8924 HCA2 1261 0 0 0 0.09 1266 1264 C1 SLES 1 -21.9417 3.25315 32.7743 CC32A 1261 1265 1266 1267 -0.01 1267 1265 H1B SLES 1 -22.4615 2.28637 32.9665 HCA2 1264 0 0 0 0.09 1268 1266 H1A SLES 1 -21.0793 3.34296 33.4753 HCA2 1264 0 0 0 0.09 1269 1267 O1 SLES 1 -21.3189 3.04126 31.4532 OC30A 1264 1268 0 0 -0.34 1270 1268 C2 SLES 1 -21.3369 4.16177 30.544 CC32A 1267 1269 1270 1271 -0.01 1271 1269 H2A SLES 1 -22.424 4.33326 30.4191 HCA2 1268 0 0 0 0.09 1272 1270 H2B SLES 1 -20.9135 4.98215 31.1661 HCA2 1268 0 0 0 0.09 1273 1271 C1 SLES 1 -20.6471 4.15638 29.1435 CC32A 1268 1272 1273 1274 -0.01 1274 1272 H1B SLES 1 -21.3669 3.80582 28.3721 HCA2 1271 0 0 0 0.09 1275 1273 H1A SLES 1 -20.3277 5.18682 28.8889 HCA2 1271 0 0 0 0.09 1276 1274 O1 SLES 1 -19.4966 3.31189 28.818 OC30A 1271 1275 0 0 -0.34 1277 1275 C1 SLES 1 -18.5816 3.86847 27.8046 CTL2 1274 1276 1277 1278 -0.18 1278 1276 H11 SLES 1 -19.081 4.75013 27.3637 HAL2 1275 0 0 0 0.09 1279 1277 H12 SLES 1 -17.7405 4.21643 28.4393 HAL2 1275 0 0 0 0.09 1280 1278 C2 SLES 1 -18.0329 2.9381 26.6515 CTL2 1275 1279 1280 1281 -0.18 1281 1279 H21 SLES 1 -18.4806 1.92455 26.7568 HAL2 1278 0 0 0 0.09 1282 1280 H22 SLES 1 -16.9308 2.83862 26.761 HAL2 1278 0 0 0 0.09 1283 1281 C3 SLES 1 -18.3674 3.50936 25.1886 CTL2 1278 1282 1283 1284 -0.18 1284 1282 H31 SLES 1 -19.2077 2.92258 24.755 HAL2 1281 0 0 0 0.09 1285 1283 H32 SLES 1 -18.6997 4.56272 25.2793 HAL2 1281 0 0 0 0.09 1286 1284 C4 SLES 1 -17.1305 3.44356 24.1997 CTL2 1281 1285 1286 1287 -0.18 1287 1285 H41 SLES 1 -17.2624 2.57929 23.5158 HAL2 1284 0 0 0 0.09 1288 1286 H42 SLES 1 -16.2021 3.27658 24.7872 HAL2 1284 0 0 0 0.09 1289 1287 C5 SLES 1 -16.9641 4.7735 23.3346 CTL2 1284 1288 1289 1290 -0.18 1290 1288 H51 SLES 1 -17.9199 5.34225 23.3556 HAL2 1287 0 0 0 0.09 1291 1289 H52 SLES 1 -16.1764 5.41095 23.7973 HAL2 1287 0 0 0 0.09 1292 1290 C6 SLES 1 -16.575 4.48589 21.8355 CTL2 1287 1291 1292 1293 -0.18 1293 1291 H61 SLES 1 -17.4587 4.06444 21.3058 HAL2 1290 0 0 0 0.09 1294 1292 H62 SLES 1 -16.3051 5.44796 21.3406 HAL2 1290 0 0 0 0.09 1295 1293 C7 SLES 1 -15.3785 3.49172 21.7007 CTL2 1290 1294 1295 1296 -0.18 1296 1294 H71 SLES 1 -15.757 2.45141 21.8114 HAL2 1293 0 0 0 0.09 1297 1295 H72 SLES 1 -14.6525 3.68242 22.5222 HAL2 1293 0 0 0 0.09 1298 1296 C8 SLES 1 -14.6472 3.61903 20.3411 CTL2 1293 1297 1298 1299 -0.18 1299 1297 H81 SLES 1 -15.4028 3.65495 19.5231 HAL2 1296 0 0 0 0.09 1300 1298 H82 SLES 1 -14.0754 4.57472 20.3236 HAL2 1296 0 0 0 0.09 1301 1299 C9 SLES 1 -13.6742 2.44197 20.08 CTL2 1296 1300 1301 1302 -0.18 1302 1300 H91 SLES 1 -14.2414 1.4847 20.1271 HAL2 1299 0 0 0 0.09 1303 1301 H92 SLES 1 -12.9029 2.42391 20.8827 HAL2 1299 0 0 0 0.09 1304 1302 C10 SLES 1 -12.9704 2.54391 18.7061 CTL2 1299 1303 1304 1305 -0.18 1305 1303 H10 SLES 1 -13.7408 2.53845 17.9016 HAL2 1302 0 0 0 0.09 1306 1304 H10 SLES 1 -12.421 3.51091 18.6498 HAL2 1302 0 0 0 0.09 1307 1305 C11 SLES 1 -11.9738 1.37993 18.4611 CTL2 1302 1306 1307 1308 -0.18 1308 1306 H11 SLES 1 -12.5293 0.415528 18.5116 HAL2 1305 0 0 0 0.09 1309 1307 H11 SLES 1 -11.2162 1.37852 19.2778 HAL2 1305 0 0 0 0.09 1310 1308 C12 SLES 1 -11.2392 1.46263 17.098 CTL3 1305 1309 1310 1311 -0.27 1311 1309 H12 SLES 1 -11.4494 0.555201 16.49 HAL3 1308 0 0 0 0.09 1312 1310 H12 SLES 1 -10.1405 1.53737 17.2551 HAL3 1308 0 0 0 0.09 1313 1311 H12 SLES 1 -11.5774 2.35623 16.5295 HAL3 1308 0 0 0 0.09 1314 1312 NA SLES 1 -19.9491 13.7375 36.9512 NA 0 0 0 0 1 1315 1313 S SLES 1 -20.6085 15.8757 34.0627 SL 1314 1315 1316 1317 1.33 1316 1314 OS1 SLES 1 -19.5837 14.5502 34.0451 OSL 1313 1318 0 0 -0.28 1317 1315 OS2 SLES 1 -21.9064 15.3829 34.4751 O2L 1313 0 0 0 -0.65 1318 1316 OS3 SLES 1 -20.083 16.7778 35.0659 O2L 1313 0 0 0 -0.65 1319 1317 OS4 SLES 1 -20.723 16.5659 32.7879 O2L 1313 0 0 0 -0.65 1320 1318 C2 SLES 1 -19.1564 14.2466 32.6502 CC32A 1314 1319 1320 1321 -0.11 1321 1319 H2A SLES 1 -20.0516 14.0987 31.984 HCA2 1318 0 0 0 0.09 1322 1320 H2B SLES 1 -18.5543 15.1152 32.264 HCA2 1318 0 0 0 0.09 1323 1321 C1 SLES 1 -18.2568 12.9213 32.6482 CC32A 1318 1322 1323 1324 -0.01 1324 1322 H1B SLES 1 -18.8208 12.0795 33.1119 HCA2 1321 0 0 0 0.09 1325 1323 H1A SLES 1 -17.3242 13.0947 33.2342 HCA2 1321 0 0 0 0.09 1326 1324 O1 SLES 1 -17.7862 12.3464 31.3731 OC30A 1321 1325 0 0 -0.34 1327 1325 C2 SLES 1 -17.8172 13.2167 30.2223 CC32A 1324 1326 1327 1328 -0.01 1328 1326 H2A SLES 1 -18.8968 13.453 30.1474 HCA2 1325 0 0 0 0.09 1329 1327 H2B SLES 1 -17.2772 14.1185 30.5891 HCA2 1325 0 0 0 0.09 1330 1328 C1 SLES 1 -17.2737 12.8166 28.8145 CC32A 1325 1329 1330 1331 -0.01 1331 1329 H1B SLES 1 -18.0901 12.3611 28.2127 HCA2 1328 0 0 0 0.09 1332 1330 H1A SLES 1 -16.9103 13.7236 28.2912 HCA2 1328 0 0 0 0.09 1333 1331 O1 SLES 1 -16.2234 11.8169 28.6133 OC30A 1328 1332 0 0 -0.34 1334 1332 C1 SLES 1 -15.3783 12.0312 27.4243 CTL2 1331 1333 1334 1335 -0.18 1335 1333 H11 SLES 1 -15.8567 12.8256 26.8233 HAL2 1332 0 0 0 0.09 1336 1334 H12 SLES 1 -14.4555 12.4406 27.8849 HAL2 1332 0 0 0 0.09 1337 1335 C2 SLES 1 -15.0146 10.808 26.4929 CTL2 1332 1336 1337 1338 -0.18 1338 1336 H21 SLES 1 -15.5191 9.89375 26.8782 HAL2 1335 0 0 0 0.09 1339 1337 H22 SLES 1 -13.9166 10.6363 26.534 HAL2 1335 0 0 0 0.09 1340 1338 C3 SLES 1 -15.4537 11.0451 24.9666 CTL2 1335 1339 1340 1341 -0.18 1341 1339 H31 SLES 1 -16.3721 10.4522 24.7587 HAL2 1338 0 0 0 0.09 1342 1340 H32 SLES 1 -15.7008 12.1159 24.8239 HAL2 1338 0 0 0 0.09 1343 1341 C4 SLES 1 -14.33 10.6336 23.9273 CTL2 1338 1342 1343 1344 -0.18 1344 1342 H41 SLES 1 -14.5899 9.64794 23.488 HAL2 1341 0 0 0 0.09 1345 1343 H42 SLES 1 -13.3611 10.5257 24.4609 HAL2 1341 0 0 0 0.09 1346 1344 C5 SLES 1 -14.1589 11.6999 22.7532 CTL2 1341 1345 1346 1347 -0.18 1347 1345 H51 SLES 1 -15.0657 12.3429 22.7117 HAL2 1344 0 0 0 0.09 1348 1346 H52 SLES 1 -13.2861 12.3535 22.9812 HAL2 1344 0 0 0 0.09 1349 1347 C6 SLES 1 -13.9435 11.0312 21.3433 CTL2 1344 1348 1349 1350 -0.18 1350 1348 H61 SLES 1 -14.9031 10.5795 21.0056 HAL2 1347 0 0 0 0.09 1351 1349 H62 SLES 1 -13.6581 11.8197 20.6084 HAL2 1347 0 0 0 0.09 1352 1350 C7 SLES 1 -12.8389 9.92762 21.3592 CTL2 1347 1351 1352 1353 -0.18 1353 1351 H71 SLES 1 -13.276 8.98241 21.7507 HAL2 1350 0 0 0 0.09 1354 1352 H72 SLES 1 -12.0225 10.2397 22.048 HAL2 1350 0 0 0 0.09 1355 1353 C8 SLES 1 -12.2407 9.66171 19.9553 CTL2 1350 1354 1355 1356 -0.18 1356 1354 H81 SLES 1 -13.0704 9.57236 19.2169 HAL2 1353 0 0 0 0.09 1357 1355 H82 SLES 1 -11.6083 10.5293 19.6589 HAL2 1353 0 0 0 0.09 1358 1356 C9 SLES 1 -11.3835 8.37195 19.9118 CTL2 1353 1357 1358 1359 -0.18 1359 1357 H91 SLES 1 -12.0085 7.50936 20.2368 HAL2 1356 0 0 0 0.09 1360 1358 H92 SLES 1 -10.5386 8.47351 20.6297 HAL2 1356 0 0 0 0.09 1361 1359 C10 SLES 1 -10.8159 8.08065 18.5024 CTL2 1356 1360 1361 1362 -0.18 1362 1360 H10 SLES 1 -11.6617 7.95583 17.7884 HAL2 1359 0 0 0 0.09 1363 1361 H10 SLES 1 -10.2088 8.9521 18.1676 HAL2 1359 0 0 0 0.09 1364 1362 C11 SLES 1 -9.93268 6.80518 18.4695 CTL2 1359 1363 1364 1365 -0.18 1365 1363 H11 SLES 1 -10.5462 5.93542 18.7985 HAL2 1362 0 0 0 0.09 1366 1364 H11 SLES 1 -9.09878 6.92739 19.1979 HAL2 1362 0 0 0 0.09 1367 1365 C12 SLES 1 -9.3347 6.495 17.0728 CTL3 1362 1366 1367 1368 -0.27 1368 1366 H12 SLES 1 -9.66777 5.49274 16.7237 HAL3 1365 0 0 0 0.09 1369 1367 H12 SLES 1 -8.22327 6.50339 17.1176 HAL3 1365 0 0 0 0.09 1370 1368 H12 SLES 1 -9.66516 7.25588 16.3325 HAL3 1365 0 0 0 0.09 1371 1369 NA SLES 1 -11.4483 21.8082 36.68 NA 0 0 0 0 1 1372 1370 S SLES 1 -12.511 23.4747 33.6069 SL 1371 1372 1373 1374 1.33 1373 1371 OS1 SLES 1 -11.5998 22.0695 33.6553 OSL 1370 1375 0 0 -0.28 1374 1372 OS2 SLES 1 -13.7343 23.1931 34.3293 O2L 1370 0 0 0 -0.65 1375 1373 OS3 SLES 1 -11.7421 24.4779 34.3131 O2L 1370 0 0 0 -0.65 1376 1374 OS4 SLES 1 -12.8241 23.944 32.2667 O2L 1370 0 0 0 -0.65 1377 1375 C2 SLES 1 -11.4721 21.4897 32.2886 CC32A 1371 1376 1377 1378 -0.11 1378 1376 H2A SLES 1 -12.4873 21.3207 31.8325 HCA2 1375 0 0 0 0.09 1379 1377 H2B SLES 1 -10.8998 22.2142 31.6453 HCA2 1375 0 0 0 0.09 1380 1378 C1 SLES 1 -10.6802 20.1 32.3743 CC32A 1375 1379 1380 1381 -0.01 1381 1379 H1B SLES 1 -11.1986 19.4113 33.0806 HCA2 1378 0 0 0 0.09 1382 1380 H1A SLES 1 -9.64232 20.2765 32.7413 HCA2 1378 0 0 0 0.09 1383 1381 O1 SLES 1 -10.5051 19.2705 31.1663 OC30A 1378 1382 0 0 -0.34 1384 1382 C2 SLES 1 -10.7005 19.9292 29.8972 CC32A 1381 1383 1384 1385 -0.01 1385 1383 H2A SLES 1 -11.7559 20.2566 29.9734 HCA2 1382 0 0 0 0.09 1386 1384 H2B SLES 1 -10.0408 20.8215 29.9862 HCA2 1382 0 0 0 0.09 1387 1385 C1 SLES 1 -10.468 19.2409 28.5154 CC32A 1382 1386 1387 1388 -0.01 1388 1386 H1B SLES 1 -11.4141 18.7736 28.1652 HCA2 1385 0 0 0 0.09 1389 1387 H1A SLES 1 -10.1534 20.0036 27.7751 HCA2 1385 0 0 0 0.09 1390 1388 O1 SLES 1 -9.54573 18.121 28.3208 OC30A 1385 1389 0 0 -0.34 1391 1389 C1 SLES 1 -8.93466 18.0421 26.9813 CTL2 1388 1390 1391 1392 -0.18 1392 1390 H11 SLES 1 -9.4665 18.7656 26.3373 HAL2 1389 0 0 0 0.09 1393 1391 H12 SLES 1 -7.91491 18.4294 27.1848 HAL2 1389 0 0 0 0.09 1394 1392 C2 SLES 1 -8.84072 16.6469 26.2458 CTL2 1389 1393 1394 1395 -0.18 1395 1393 H21 SLES 1 -9.32076 15.8678 26.8794 HAL2 1392 0 0 0 0.09 1396 1394 H22 SLES 1 -7.76958 16.3752 26.1218 HAL2 1392 0 0 0 0.09 1397 1395 C3 SLES 1 -9.55054 16.6617 24.8056 CTL2 1392 1396 1397 1398 -0.18 1398 1396 H31 SLES 1 -10.5293 16.1375 24.8797 HAL2 1395 0 0 0 0.09 1399 1397 H32 SLES 1 -9.74874 17.7116 24.5112 HAL2 1395 0 0 0 0.09 1400 1398 C4 SLES 1 -8.67955 15.9671 23.6781 CTL2 1395 1399 1400 1401 -0.18 1401 1399 H41 SLES 1 -9.08483 14.952 23.4849 HAL2 1398 0 0 0 0.09 1402 1400 H42 SLES 1 -7.63505 15.8554 24.0408 HAL2 1398 0 0 0 0.09 1403 1401 C5 SLES 1 -8.66863 16.7936 22.3137 CTL2 1398 1402 1403 1404 -0.18 1404 1402 H51 SLES 1 -9.52137 17.5079 22.315 HAL2 1401 0 0 0 0.09 1405 1403 H52 SLES 1 -7.72663 17.3854 22.2557 HAL2 1401 0 0 0 0.09 1406 1404 C6 SLES 1 -8.77559 15.8748 21.0387 CTL2 1401 1405 1406 1407 -0.18 1407 1405 H61 SLES 1 -9.81044 15.4708 20.9684 HAL2 1404 0 0 0 0.09 1408 1406 H62 SLES 1 -8.58618 16.4928 20.1301 HAL2 1404 0 0 0 0.09 1409 1407 C7 SLES 1 -7.76489 14.6847 21.0636 CTL2 1404 1408 1409 1410 -0.18 1410 1408 H71 SLES 1 -8.17985 13.8695 21.6969 HAL2 1407 0 0 0 0.09 1411 1409 H72 SLES 1 -6.81154 15.0265 21.5247 HAL2 1407 0 0 0 0.09 1412 1410 C8 SLES 1 -7.4693 14.1232 19.6505 CTL2 1407 1411 1412 1413 -0.18 1413 1411 H81 SLES 1 -8.43037 13.9925 19.1022 HAL2 1410 0 0 0 0.09 1414 1412 H82 SLES 1 -6.84989 14.859 19.0888 HAL2 1410 0 0 0 0.09 1415 1413 C9 SLES 1 -6.72458 12.7654 19.6972 CTL2 1410 1414 1415 1416 -0.18 1416 1414 H91 SLES 1 -7.33089 12.0387 20.2842 HAL2 1413 0 0 0 0.09 1417 1415 H92 SLES 1 -5.75173 12.903 20.2208 HAL2 1413 0 0 0 0.09 1418 1416 C10 SLES 1 -6.46163 12.1811 18.289 CTL2 1413 1417 1418 1419 -0.18 1419 1417 H10 SLES 1 -7.4362 12.0215 17.7737 HAL2 1416 0 0 0 0.09 1420 1418 H10 SLES 1 -5.87429 12.9166 17.694 HAL2 1416 0 0 0 0.09 1421 1419 C11 SLES 1 -5.68857 10.8365 18.3385 CTL2 1416 1420 1421 1422 -0.18 1422 1420 H11 SLES 1 -6.28321 10.1023 18.9288 HAL2 1419 0 0 0 0.09 1423 1421 H11 SLES 1 -4.72305 10.9972 18.8703 HAL2 1419 0 0 0 0.09 1424 1422 C12 SLES 1 -5.39467 10.2328 16.9407 CTL3 1419 1423 1424 1425 -0.27 1425 1423 H12 SLES 1 -5.85513 9.22423 16.8507 HAL3 1422 0 0 0 0.09 1426 1424 H12 SLES 1 -4.29758 10.1368 16.7841 HAL3 1422 0 0 0 0.09 1427 1425 H12 SLES 1 -5.81088 10.8848 16.1421 HAL3 1422 0 0 0 0.09 1428 1426 NA SLES 1 -0.232203 25.4495 36.1158 NA 0 0 0 0 1 1429 1427 S SLES 1 -1.8995 26.9811 33.248 SL 1428 1429 1430 1431 1.33 1430 1428 OS1 SLES 1 -1.11432 25.5015 33.2074 OSL 1427 1432 0 0 -0.28 1431 1429 OS2 SLES 1 -2.92118 26.8733 34.2688 O2L 1427 0 0 0 -0.65 1432 1430 OS3 SLES 1 -0.904676 27.9541 33.648 O2L 1427 0 0 0 -0.65 1433 1431 OS4 SLES 1 -2.50098 27.3789 31.9853 O2L 1427 0 0 0 -0.65 1434 1432 C2 SLES 1 -1.37657 24.8133 31.912 CC32A 1428 1433 1434 1435 -0.11 1435 1433 H2A SLES 1 -2.48331 24.7105 31.7339 HCA2 1432 0 0 0 0.09 1436 1434 H2B SLES 1 -0.929841 25.4296 31.0833 HCA2 1432 0 0 0 0.09 1437 1435 C1 SLES 1 -0.696159 23.3633 31.935 CC32A 1432 1436 1437 1438 -0.01 1438 1436 H1B SLES 1 -1.07225 22.7819 32.8081 HCA2 1435 0 0 0 0.09 1439 1437 H1A SLES 1 0.410847 23.4649 32.0209 HCA2 1435 0 0 0 0.09 1440 1438 O1 SLES 1 -0.891874 22.4344 30.8051 OC30A 1435 1439 0 0 -0.34 1441 1439 C2 SLES 1 -1.34761 23.014 29.5645 CC32A 1438 1440 1441 1442 -0.01 1442 1440 H2A SLES 1 -2.32253 23.4469 29.8628 HCA2 1439 0 0 0 0.09 1443 1441 H2B SLES 1 -0.620875 23.8422 29.4056 HCA2 1439 0 0 0 0.09 1444 1442 C1 SLES 1 -1.52066 22.2068 28.2394 CC32A 1439 1443 1444 1445 -0.01 1445 1443 H1B SLES 1 -2.55684 21.809 28.1751 HCA2 1442 0 0 0 0.09 1446 1444 H1A SLES 1 -1.34406 22.8789 27.3759 HCA2 1442 0 0 0 0.09 1447 1445 O1 SLES 1 -0.763907 20.9914 27.9345 OC30A 1442 1446 0 0 -0.34 1448 1446 C1 SLES 1 -0.514712 20.7555 26.5006 CTL2 1445 1447 1448 1449 -0.18 1449 1447 H11 SLES 1 -1.13413 21.478 25.9389 HAL2 1446 0 0 0 0.09 1450 1448 H12 SLES 1 0.549871 21.0559 26.4129 HAL2 1446 0 0 0 0.09 1451 1449 C2 SLES 1 -0.713624 19.3076 25.9004 CTL2 1446 1450 1451 1452 -0.18 1452 1450 H21 SLES 1 -1.07781 18.6273 26.7025 HAL2 1449 0 0 0 0.09 1453 1451 H22 SLES 1 0.268738 18.9248 25.5467 HAL2 1449 0 0 0 0.09 1454 1452 C3 SLES 1 -1.75755 19.2854 24.6805 CTL2 1449 1453 1454 1455 -0.18 1455 1453 H31 SLES 1 -2.7236 18.8655 25.0392 HAL2 1452 0 0 0 0.09 1456 1454 H32 SLES 1 -1.94278 20.3252 24.3445 HAL2 1452 0 0 0 0.09 1457 1455 C4 SLES 1 -1.25116 18.4287 23.4468 CTL2 1452 1456 1457 1458 -0.18 1458 1456 H41 SLES 1 -1.76768 17.4462 23.455 HAL2 1455 0 0 0 0.09 1459 1457 H42 SLES 1 -0.16075 18.2431 23.5544 HAL2 1455 0 0 0 0.09 1460 1458 C5 SLES 1 -1.51884 19.1478 22.0483 CTL2 1455 1459 1460 1461 -0.18 1461 1459 H51 SLES 1 -2.28748 19.9397 22.1883 HAL2 1458 0 0 0 0.09 1462 1460 H52 SLES 1 -0.579128 19.6396 21.7076 HAL2 1458 0 0 0 0.09 1463 1461 C6 SLES 1 -2.01036 18.1526 20.9305 CTL2 1458 1462 1463 1464 -0.18 1464 1462 H61 SLES 1 -3.05751 17.8468 21.152 HAL2 1461 0 0 0 0.09 1465 1463 H62 SLES 1 -2.00766 18.681 19.9486 HAL2 1461 0 0 0 0.09 1466 1464 C7 SLES 1 -1.11877 16.8752 20.8227 CTL2 1461 1465 1466 1467 -0.18 1467 1465 H71 SLES 1 -1.42293 16.1528 21.6123 HAL2 1464 0 0 0 0.09 1468 1466 H72 SLES 1 -0.057347 17.1558 21.0043 HAL2 1464 0 0 0 0.09 1469 1467 C8 SLES 1 -1.2291 16.1854 19.4401 CTL2 1464 1468 1469 1470 -0.18 1470 1468 H81 SLES 1 -2.30374 16.1087 19.1561 HAL2 1467 0 0 0 0.09 1471 1469 H82 SLES 1 -0.71571 16.8144 18.6777 HAL2 1467 0 0 0 0.09 1472 1470 C9 SLES 1 -0.601542 14.7689 19.4338 CTL2 1467 1471 1472 1473 -0.18 1473 1471 H91 SLES 1 -1.09526 14.1495 20.2167 HAL2 1470 0 0 0 0.09 1474 1472 H92 SLES 1 0.478811 14.8495 19.6904 HAL2 1470 0 0 0 0.09 1475 1473 C10 SLES 1 -0.743865 14.06 18.0661 CTL2 1470 1474 1475 1476 -0.18 1476 1474 H10 SLES 1 -1.82548 13.9583 17.82 HAL2 1473 0 0 0 0.09 1477 1475 H10 SLES 1 -0.269787 14.6894 17.2792 HAL2 1473 0 0 0 0.09 1478 1476 C11 SLES 1 -0.0872653 12.6541 18.0543 CTL2 1473 1477 1478 1479 -0.18 1479 1477 H11 SLES 1 -0.569466 12.0264 18.8382 HAL2 1476 0 0 0 0.09 1480 1478 H11 SLES 1 0.989839 12.759 18.3184 HAL2 1476 0 0 0 0.09 1481 1479 C12 SLES 1 -0.198585 11.9238 16.6909 CTL3 1476 1480 1481 1482 -0.27 1482 1480 H12 SLES 1 -0.742056 10.9607 16.8116 HAL3 1479 0 0 0 0.09 1483 1481 H12 SLES 1 0.814019 11.7106 16.2828 HAL3 1479 0 0 0 0.09 1484 1482 H12 SLES 1 -0.750439 12.5527 15.9587 HAL3 1479 0 0 0 0.09 1485 1483 NA SLES 1 11.4964 23.9735 35.2872 NA 0 0 0 0 1 1486 1484 S SLES 1 9.29212 25.751 32.9781 SL 1485 1486 1487 1488 1.33 1487 1485 OS1 SLES 1 9.89931 24.2123 32.7119 OSL 1484 1489 0 0 -0.28 1488 1486 OS2 SLES 1 8.5645 25.6922 34.2289 O2L 1484 0 0 0 -0.65 1489 1487 OS3 SLES 1 10.4424 26.6193 33.1181 O2L 1484 0 0 0 -0.65 1490 1488 OS4 SLES 1 8.42349 26.2471 31.9226 O2L 1484 0 0 0 -0.65 1491 1489 C2 SLES 1 9.24767 23.5992 31.5203 CC32A 1485 1490 1491 1492 -0.11 1492 1490 H2A SLES 1 8.12798 23.5985 31.6364 HCA2 1489 0 0 0 0.09 1493 1491 H2B SLES 1 9.51947 24.2063 30.6127 HCA2 1489 0 0 0 0.09 1494 1492 C1 SLES 1 9.77335 22.0965 31.3433 CC32A 1489 1493 1494 1495 -0.01 1495 1493 H1B SLES 1 9.58418 21.5164 32.2757 HCA2 1492 0 0 0 0.09 1496 1494 H1A SLES 1 10.8693 22.0995 31.1381 HCA2 1492 0 0 0 0.09 1497 1495 O1 SLES 1 9.20624 21.2317 30.2905 OC30A 1492 1496 0 0 -0.34 1498 1496 C2 SLES 1 8.50029 21.8953 29.2209 CC32A 1495 1497 1498 1499 -0.01 1499 1497 H2A SLES 1 7.68047 22.3984 29.7701 HCA2 1496 0 0 0 0.09 1500 1498 H2B SLES 1 9.23454 22.6637 28.8896 HCA2 1496 0 0 0 0.09 1501 1499 C1 SLES 1 7.91567 21.1573 27.9756 CC32A 1496 1500 1501 1502 -0.01 1502 1500 H1B SLES 1 6.86597 20.8525 28.1787 HCA2 1499 0 0 0 0.09 1503 1501 H1A SLES 1 7.92393 21.8444 27.1058 HCA2 1499 0 0 0 0.09 1504 1502 O1 SLES 1 8.4515 19.8941 27.4656 OC30A 1499 1503 0 0 -0.34 1505 1503 C1 SLES 1 8.29754 19.6928 26.0131 CTL2 1502 1504 1505 1506 -0.18 1506 1504 H11 SLES 1 7.62345 20.4867 25.6436 HAL2 1503 0 0 0 0.09 1507 1505 H12 SLES 1 9.32614 19.9041 25.6544 HAL2 1503 0 0 0 0.09 1508 1506 C2 SLES 1 7.81655 18.2913 25.4647 CTL2 1503 1507 1508 1509 -0.18 1509 1507 H21 SLES 1 7.61128 17.6145 26.3242 HAL2 1506 0 0 0 0.09 1510 1508 H22 SLES 1 8.63383 17.8397 24.8608 HAL2 1506 0 0 0 0.09 1511 1509 C3 SLES 1 6.49472 18.4054 24.5602 CTL2 1506 1510 1511 1512 -0.18 1512 1510 H31 SLES 1 5.62004 18.0563 25.1529 HAL2 1509 0 0 0 0.09 1513 1511 H32 SLES 1 6.32594 19.4693 24.2996 HAL2 1509 0 0 0 0.09 1514 1512 C4 SLES 1 6.58239 17.5564 23.2246 CTL2 1509 1513 1514 1515 -0.18 1515 1513 H41 SLES 1 5.99689 16.6222 23.3533 HAL2 1512 0 0 0 0.09 1516 1514 H42 SLES 1 7.64137 17.2741 23.0405 HAL2 1512 0 0 0 0.09 1517 1515 C5 SLES 1 6.02923 18.3488 21.9554 CTL2 1512 1516 1517 1518 -0.18 1518 1516 H51 SLES 1 5.39999 19.1977 22.3033 HAL2 1515 0 0 0 0.09 1519 1517 H52 SLES 1 6.88992 18.771 21.388 HAL2 1515 0 0 0 0.09 1520 1518 C6 SLES 1 5.17475 17.4429 20.9908 CTL2 1515 1519 1520 1521 -0.18 1521 1519 H61 SLES 1 4.1971 17.2197 21.4739 HAL2 1518 0 0 0 0.09 1522 1520 H62 SLES 1 4.97181 18.0063 20.0502 HAL2 1518 0 0 0 0.09 1523 1521 C7 SLES 1 5.88555 16.0989 20.6348 CTL2 1518 1522 1523 1524 -0.18 1524 1522 H71 SLES 1 5.73082 15.3755 21.4658 HAL2 1521 0 0 0 0.09 1525 1523 H72 SLES 1 6.97904 16.2804 20.5365 HAL2 1521 0 0 0 0.09 1526 1524 C8 SLES 1 5.3572 15.4745 19.3193 CTL2 1521 1525 1526 1527 -0.18 1527 1525 H81 SLES 1 4.24335 15.5011 19.3252 HAL2 1524 0 0 0 0.09 1528 1526 H82 SLES 1 5.71144 16.086 18.4584 HAL2 1524 0 0 0 0.09 1529 1527 C9 SLES 1 5.82757 14.0108 19.1283 CTL2 1524 1528 1529 1530 -0.18 1530 1528 H91 SLES 1 5.49843 13.4064 20.0039 HAL2 1527 0 0 0 0.09 1531 1529 H92 SLES 1 6.94016 13.9887 19.0945 HAL2 1527 0 0 0 0.09 1532 1530 C10 SLES 1 5.27055 13.3696 17.8352 CTL2 1527 1531 1532 1533 -0.18 1533 1531 H10 SLES 1 4.15751 13.3704 17.8792 HAL2 1530 0 0 0 0.09 1534 1532 H10 SLES 1 5.58071 13.9858 16.961 HAL2 1530 0 0 0 0.09 1535 1533 C11 SLES 1 5.7684 11.9141 17.6315 CTL2 1530 1534 1535 1536 -0.18 1536 1534 H11 SLES 1 5.44983 11.3004 18.505 HAL2 1533 0 0 0 0.09 1537 1535 H11 SLES 1 6.88208 11.9162 17.6062 HAL2 1533 0 0 0 0.09 1538 1536 C12 SLES 1 5.24032 11.2487 16.3342 CTL3 1533 1537 1538 1539 -0.27 1539 1537 H12 SLES 1 4.65986 10.3319 16.5787 HAL3 1536 0 0 0 0.09 1540 1538 H12 SLES 1 6.08828 10.9654 15.6724 HAL3 1536 0 0 0 0.09 1541 1539 H12 SLES 1 4.57832 11.9502 15.7812 HAL3 1536 0 0 0 0.09 1542 1540 NA SLES 1 21.5261 17.7294 34.2692 NA 0 0 0 0 1 1543 1541 S SLES 1 19.0692 19.9824 32.7732 SL 1542 1543 1544 1545 1.33 1544 1542 OS1 SLES 1 19.4337 18.4555 32.1873 OSL 1541 1546 0 0 -0.28 1545 1543 OS2 SLES 1 18.6345 19.8011 34.1428 O2L 1541 0 0 0 -0.65 1546 1544 OS3 SLES 1 20.3083 20.731 32.745 O2L 1541 0 0 0 -0.65 1547 1545 OS4 SLES 1 18.0469 20.6892 32.0185 O2L 1541 0 0 0 -0.65 1548 1546 C2 SLES 1 18.4726 18.0709 31.1155 CC32A 1542 1547 1548 1549 -0.11 1549 1547 H2A SLES 1 17.4129 18.1394 31.4892 HCA2 1546 0 0 0 0.09 1550 1548 H2B SLES 1 18.6002 18.779 30.2503 HCA2 1546 0 0 0 0.09 1551 1549 C1 SLES 1 18.7817 16.5732 30.6391 CC32A 1546 1550 1551 1552 -0.01 1552 1550 H1B SLES 1 18.7425 15.8819 31.5122 HCA2 1549 0 0 0 0.09 1553 1551 H1A SLES 1 19.7988 16.5215 30.1853 HCA2 1549 0 0 0 0.09 1554 1552 O1 SLES 1 17.9062 15.9138 29.6508 OC30A 1549 1553 0 0 -0.34 1555 1553 C2 SLES 1 17.0564 16.7756 28.8648 CC32A 1552 1554 1555 1556 -0.01 1556 1554 H2A SLES 1 16.4373 17.2563 29.6475 HCA2 1553 0 0 0 0.09 1557 1555 H2B SLES 1 17.7771 17.525 28.4671 HCA2 1553 0 0 0 0.09 1558 1556 C1 SLES 1 16.1349 16.2702 27.7104 CC32A 1553 1557 1558 1559 -0.01 1559 1557 H1B SLES 1 15.1297 16.0208 28.1147 HCA2 1556 0 0 0 0.09 1560 1558 H1A SLES 1 16.0241 17.072 26.9531 HCA2 1556 0 0 0 0.09 1561 1559 O1 SLES 1 16.4058 15.0557 26.9395 OC30A 1556 1560 0 0 -0.34 1562 1560 C1 SLES 1 15.9135 15.0766 25.5498 CTL2 1559 1561 1562 1563 -0.18 1563 1561 H11 SLES 1 15.2635 15.9644 25.4476 HAL2 1560 0 0 0 0.09 1564 1562 H12 SLES 1 16.8538 15.2576 24.9891 HAL2 1560 0 0 0 0.09 1565 1563 C2 SLES 1 15.1755 13.8089 24.9628 CTL2 1560 1564 1565 1566 -0.18 1566 1564 H21 SLES 1 15.0942 13.0339 25.7575 HAL2 1563 0 0 0 0.09 1567 1565 H22 SLES 1 15.7856 13.387 24.1342 HAL2 1563 0 0 0 0.09 1568 1566 C3 SLES 1 13.7063 14.152 24.4131 CTL2 1563 1567 1568 1569 -0.18 1569 1567 H31 SLES 1 12.9523 13.7898 25.1469 HAL2 1566 0 0 0 0.09 1570 1568 H32 SLES 1 13.5992 15.252 24.3306 HAL2 1566 0 0 0 0.09 1571 1569 C4 SLES 1 13.4046 13.4985 23.001 CTL2 1566 1570 1571 1572 -0.18 1572 1570 H41 SLES 1 12.7653 12.6031 23.1483 HAL2 1569 0 0 0 0.09 1573 1571 H42 SLES 1 14.36 13.1652 22.5414 HAL2 1569 0 0 0 0.09 1574 1572 C5 SLES 1 12.6725 14.5043 22.0024 CTL2 1569 1573 1574 1575 -0.18 1575 1573 H51 SLES 1 12.2306 15.3403 22.5883 HAL2 1572 0 0 0 0.09 1576 1574 H52 SLES 1 13.4264 14.9361 21.3052 HAL2 1572 0 0 0 0.09 1577 1575 C6 SLES 1 11.5336 13.8138 21.1614 CTL2 1572 1576 1577 1578 -0.18 1578 1576 H61 SLES 1 10.6689 13.5993 21.8288 HAL2 1575 0 0 0 0.09 1579 1577 H62 SLES 1 11.1891 14.5198 20.37 HAL2 1575 0 0 0 0.09 1580 1578 C7 SLES 1 11.9995 12.4841 20.4883 CTL2 1575 1579 1580 1581 -0.18 1581 1579 H71 SLES 1 11.9559 11.6632 21.238 HAL2 1578 0 0 0 0.09 1582 1580 H72 SLES 1 13.0571 12.5935 20.1599 HAL2 1578 0 0 0 0.09 1583 1581 C8 SLES 1 11.1292 12.0966 19.2668 CTL2 1578 1582 1583 1584 -0.18 1584 1582 H81 SLES 1 10.0538 12.2072 19.5361 HAL2 1581 0 0 0 0.09 1585 1583 H82 SLES 1 11.3476 12.7959 18.4279 HAL2 1581 0 0 0 0.09 1586 1584 C9 SLES 1 11.3858 10.6435 18.7945 CTL2 1581 1585 1586 1587 -0.18 1587 1585 H91 SLES 1 11.1958 9.94711 19.6426 HAL2 1584 0 0 0 0.09 1588 1586 H92 SLES 1 12.4544 10.5413 18.4991 HAL2 1584 0 0 0 0.09 1589 1587 C10 SLES 1 10.4909 10.2384 17.5993 CTL2 1584 1588 1589 1590 -0.18 1590 1588 H10 SLES 1 9.42188 10.3181 17.902 HAL2 1587 0 0 0 0.09 1591 1589 H10 SLES 1 10.6641 10.9477 16.7585 HAL2 1587 0 0 0 0.09 1592 1590 C11 SLES 1 10.7722 8.79317 17.1093 CTL2 1587 1591 1592 1593 -0.18 1593 1591 H11 SLES 1 10.5909 8.0871 17.9518 HAL2 1590 0 0 0 0.09 1594 1592 H11 SLES 1 11.8463 8.71357 16.8248 HAL2 1590 0 0 0 0.09 1595 1593 C12 SLES 1 9.9018 8.36259 15.9004 CTL3 1590 1594 1595 1596 -0.27 1596 1594 H12 SLES 1 9.29494 7.46736 16.1604 HAL3 1593 0 0 0 0.09 1597 1595 H12 SLES 1 10.5468 8.11272 15.0293 HAL3 1593 0 0 0 0.09 1598 1596 H12 SLES 1 9.21299 9.18454 15.607 HAL3 1593 0 0 0 0.09 1599 1597 NA SLES 1 28.0881 7.93943 33.1679 NA 0 0 0 0 1 1600 1598 S SLES 1 25.708 10.6525 32.5981 SL 1599 1600 1601 1602 1.33 1601 1599 OS1 SLES 1 25.8114 9.2706 31.6563 OSL 1598 1603 0 0 -0.28 1602 1600 OS2 SLES 1 25.4579 10.2057 33.9528 O2L 1598 0 0 0 -0.65 1603 1601 OS3 SLES 1 27.0058 11.2901 32.5217 O2L 1598 0 0 0 -0.65 1604 1602 OS4 SLES 1 24.6728 11.5867 32.1857 O2L 1598 0 0 0 -0.65 1605 1603 C2 SLES 1 24.6688 9.20974 30.7018 CC32A 1599 1604 1605 1606 -0.11 1606 1604 H2A SLES 1 23.6885 9.27553 31.2512 HCA2 1603 0 0 0 0.09 1607 1605 H2B SLES 1 24.7486 10.0803 29.9933 HCA2 1603 0 0 0 0.09 1608 1606 C1 SLES 1 24.7369 7.83604 29.8807 CC32A 1603 1607 1608 1609 -0.01 1609 1607 H1B SLES 1 24.7472 6.97312 30.5858 HCA2 1606 0 0 0 0.09 1610 1608 H1A SLES 1 25.6657 7.80768 29.2646 HCA2 1606 0 0 0 0.09 1611 1609 O1 SLES 1 23.6599 7.48296 28.9356 OC30A 1606 1610 0 0 -0.34 1612 1610 C2 SLES 1 22.8071 8.56126 28.4967 CC32A 1609 1611 1612 1613 -0.01 1613 1611 H2A SLES 1 22.365 8.90258 29.4532 HCA2 1610 0 0 0 0.09 1614 1612 H2B SLES 1 23.542 9.32201 28.1496 HCA2 1610 0 0 0 0.09 1615 1613 C1 SLES 1 21.6781 8.39837 27.4308 CC32A 1610 1614 1615 1616 -0.01 1616 1614 H1B SLES 1 20.7203 8.14416 27.9347 HCA2 1613 0 0 0 0.09 1617 1615 H1A SLES 1 21.5494 9.35453 26.8851 HCA2 1613 0 0 0 0.09 1618 1616 O1 SLES 1 21.6977 7.36834 26.3909 OC30A 1613 1617 0 0 -0.34 1619 1617 C1 SLES 1 21.0155 7.73582 25.1365 CTL2 1616 1618 1619 1620 -0.18 1620 1618 H11 SLES 1 20.4607 8.67191 25.3293 HAL2 1617 0 0 0 0.09 1621 1619 H12 SLES 1 21.8793 7.96334 24.4782 HAL2 1617 0 0 0 0.09 1622 1620 C2 SLES 1 20.0637 6.69165 24.4293 CTL2 1617 1621 1622 1623 -0.18 1623 1621 H21 SLES 1 20.0119 5.76809 25.0483 HAL2 1620 0 0 0 0.09 1624 1622 H22 SLES 1 20.4969 6.41842 23.4422 HAL2 1620 0 0 0 0.09 1625 1623 C3 SLES 1 18.5782 7.26151 24.2129 CTL2 1620 1624 1625 1626 -0.18 1626 1624 H31 SLES 1 17.9022 6.80489 24.9698 HAL2 1623 0 0 0 0.09 1627 1625 H32 SLES 1 18.5837 8.3572 24.3792 HAL2 1623 0 0 0 0.09 1628 1626 C4 SLES 1 18.0048 6.96378 22.7655 CTL2 1623 1627 1628 1629 -0.18 1629 1627 H41 SLES 1 17.2976 6.11046 22.8274 HAL2 1626 0 0 0 0.09 1630 1628 H42 SLES 1 18.8407 6.66775 22.0957 HAL2 1626 0 0 0 0.09 1631 1629 C5 SLES 1 17.2532 8.22018 22.1321 CTL2 1626 1630 1631 1632 -0.18 1632 1630 H51 SLES 1 16.9966 8.93675 22.9433 HAL2 1629 0 0 0 0.09 1633 1631 H52 SLES 1 17.9421 8.73624 21.4249 HAL2 1629 0 0 0 0.09 1634 1632 C6 SLES 1 15.9349 7.8245 21.3659 CTL2 1629 1633 1634 1635 -0.18 1635 1633 H61 SLES 1 15.1572 7.53482 22.1077 HAL2 1632 0 0 0 0.09 1636 1634 H62 SLES 1 15.5609 8.71339 20.806 HAL2 1632 0 0 0 0.09 1637 1635 C7 SLES 1 16.1476 6.64562 20.3642 CTL2 1632 1636 1637 1638 -0.18 1638 1636 H71 SLES 1 16.1212 5.68461 20.9242 HAL2 1635 0 0 0 0.09 1639 1637 H72 SLES 1 17.1523 6.74281 19.8957 HAL2 1635 0 0 0 0.09 1640 1638 C8 SLES 1 15.0724 6.6082 19.2497 CTL2 1635 1639 1640 1641 -0.18 1641 1639 H81 SLES 1 14.0662 6.73942 19.7098 HAL2 1638 0 0 0 0.09 1642 1640 H82 SLES 1 15.2441 7.45745 18.5498 HAL2 1638 0 0 0 0.09 1643 1641 C9 SLES 1 15.0944 5.28107 18.4506 CTL2 1638 1642 1643 1644 -0.18 1644 1642 H91 SLES 1 14.9521 4.43049 19.1553 HAL2 1641 0 0 0 0.09 1645 1643 H92 SLES 1 16.091 5.16442 17.9682 HAL2 1641 0 0 0 0.09 1646 1644 C10 SLES 1 13.9968 5.22263 17.3619 CTL2 1641 1645 1646 1647 -0.18 1647 1645 H10 SLES 1 12.9983 5.31588 17.8467 HAL2 1644 0 0 0 0.09 1648 1646 H10 SLES 1 14.125 6.08541 16.6696 HAL2 1644 0 0 0 0.09 1649 1647 C11 SLES 1 14.0414 3.90512 16.5433 CTL2 1644 1648 1649 1650 -0.18 1650 1648 H11 SLES 1 13.9059 3.04569 17.2391 HAL2 1647 0 0 0 0.09 1651 1649 H11 SLES 1 15.0475 3.80755 16.0752 HAL2 1647 0 0 0 0.09 1652 1650 C12 SLES 1 12.9631 3.82305 15.4319 CTL3 1647 1651 1652 1653 -0.27 1653 1651 H12 SLES 1 12.304 2.94234 15.5971 HAL3 1650 0 0 0 0.09 1654 1652 H12 SLES 1 13.4437 3.72375 14.4336 HAL3 1650 0 0 0 0.09 1655 1653 H12 SLES 1 12.3353 4.74062 15.4331 HAL3 1650 0 0 0 0.09 1656 1654 NA SLES 1 30.1403 -3.63027 32.1008 NA 0 0 0 0 1 1657 1655 S SLES 1 28.0355 -0.659928 32.4127 SL 1656 1657 1658 1659 1.33 1658 1656 OS1 SLES 1 27.9538 -1.74887 31.142 OSL 1655 1660 0 0 -0.28 1659 1657 OS2 SLES 1 27.7975 -1.42309 33.6204 O2L 1655 0 0 0 -0.65 1660 1658 OS3 SLES 1 29.3885 -0.144284 32.415 O2L 1655 0 0 0 -0.65 1661 1659 OS4 SLES 1 27.0874 0.439166 32.3265 O2L 1655 0 0 0 -0.65 1662 1660 C2 SLES 1 26.7719 -1.45328 30.2841 CC32A 1656 1661 1662 1663 -0.11 1663 1661 H2A SLES 1 25.8279 -1.44635 30.8973 HCA2 1660 0 0 0 0.09 1664 1662 H2B SLES 1 26.9123 -0.437812 29.82 HCA2 1660 0 0 0 0.09 1665 1663 C1 SLES 1 26.6609 -2.56289 29.1342 CC32A 1660 1664 1665 1666 -0.01 1666 1664 H1B SLES 1 26.6106 -3.57819 29.5907 HCA2 1663 0 0 0 0.09 1667 1665 H1A SLES 1 27.5549 -2.51167 28.4698 HCA2 1663 0 0 0 0.09 1668 1666 O1 SLES 1 25.5139 -2.55636 28.2056 OC30A 1663 1667 0 0 -0.34 1669 1667 C2 SLES 1 24.761 -1.32831 28.1184 CC32A 1666 1668 1669 1670 -0.01 1670 1668 H2A SLES 1 24.3978 -1.21231 29.1584 HCA2 1667 0 0 0 0.09 1671 1669 H2B SLES 1 25.5563 -0.572431 27.9298 HCA2 1667 0 0 0 0.09 1672 1670 C1 SLES 1 23.5772 -1.10265 27.126 CC32A 1667 1671 1672 1673 -0.01 1673 1671 H1B SLES 1 22.6201 -1.39317 27.6115 HCA2 1670 0 0 0 0.09 1674 1672 H1A SLES 1 23.5264 -0.0290386 26.8552 HCA2 1670 0 0 0 0.09 1675 1673 O1 SLES 1 23.4449 -1.8202 25.857 OC30A 1670 1674 0 0 -0.34 1676 1674 C1 SLES 1 22.7525 -1.07572 24.7891 CTL2 1673 1675 1676 1677 -0.18 1677 1675 H11 SLES 1 22.3075 -0.17734 25.2539 HAL2 1674 0 0 0 0.09 1678 1676 H12 SLES 1 23.6068 -0.761764 24.1544 HAL2 1674 0 0 0 0.09 1679 1677 C2 SLES 1 21.6677 -1.80692 23.9033 CTL2 1674 1678 1679 1680 -0.18 1680 1678 H21 SLES 1 21.5456 -2.85226 24.2655 HAL2 1677 0 0 0 0.09 1681 1679 H22 SLES 1 22.0278 -1.84868 22.8521 HAL2 1677 0 0 0 0.09 1682 1680 C3 SLES 1 20.2421 -1.06882 23.9428 CTL2 1677 1681 1682 1683 -0.18 1683 1681 H31 SLES 1 19.5547 -1.6457 24.6007 HAL2 1680 0 0 0 0.09 1684 1682 H32 SLES 1 20.3694 -0.0605928 24.3849 HAL2 1680 0 0 0 0.09 1685 1683 C4 SLES 1 19.5802 -0.922354 22.5101 CTL2 1680 1684 1685 1686 -0.18 1686 1684 H41 SLES 1 18.7907 -1.69459 22.398 HAL2 1683 0 0 0 0.09 1687 1685 H42 SLES 1 20.3514 -1.10572 21.7312 HAL2 1683 0 0 0 0.09 1688 1686 C5 SLES 1 18.9382 0.518851 22.2744 CTL2 1683 1687 1688 1689 -0.18 1689 1687 H51 SLES 1 18.7925 1.01681 23.2584 HAL2 1686 0 0 0 0.09 1690 1688 H52 SLES 1 19.6468 1.13858 21.6789 HAL2 1686 0 0 0 0.09 1691 1689 C6 SLES 1 17.5546 0.459099 21.5238 CTL2 1686 1690 1691 1692 -0.18 1692 1690 H61 SLES 1 16.7828 0.0557158 22.2171 HAL2 1689 0 0 0 0.09 1693 1691 H62 SLES 1 17.2523 1.49391 21.2387 HAL2 1689 0 0 0 0.09 1694 1692 C7 SLES 1 17.6001 -0.428882 20.2401 CTL2 1689 1693 1694 1695 -0.18 1695 1693 H71 SLES 1 17.4969 -1.49693 20.534 HAL2 1692 0 0 0 0.09 1696 1694 H72 SLES 1 18.5888 -0.302743 19.7452 HAL2 1692 0 0 0 0.09 1697 1695 C8 SLES 1 16.4808 -0.074747 19.2295 CTL2 1692 1696 1697 1698 -0.18 1698 1696 H81 SLES 1 15.5142 0.0208552 19.7753 HAL2 1695 0 0 0 0.09 1699 1697 H82 SLES 1 16.7108 0.909696 18.762 HAL2 1695 0 0 0 0.09 1700 1698 C9 SLES 1 16.3299 -1.14125 18.1159 CTL2 1695 1699 1700 1701 -0.18 1701 1699 H91 SLES 1 16.1293 -2.13089 18.5857 HAL2 1698 0 0 0 0.09 1702 1700 H92 SLES 1 17.2876 -1.21613 17.553 HAL2 1698 0 0 0 0.09 1703 1701 C10 SLES 1 15.1873 -0.81207 17.1262 CTL2 1698 1702 1703 1704 -0.18 1704 1702 H10 SLES 1 14.2254 -0.760143 17.6856 HAL2 1701 0 0 0 0.09 1705 1703 H10 SLES 1 15.3758 0.187271 16.6725 HAL2 1701 0 0 0 0.09 1706 1704 C11 SLES 1 15.059 -1.86624 15.9947 CTL2 1701 1705 1706 1707 -0.18 1707 1705 H11 SLES 1 14.8638 -2.86264 16.4532 HAL2 1704 0 0 0 0.09 1708 1706 H11 SLES 1 16.0288 -1.92741 15.4499 HAL2 1704 0 0 0 0.09 1709 1707 C12 SLES 1 13.9321 -1.55555 14.9759 CTL3 1704 1708 1709 1710 -0.27 1710 1708 H12 SLES 1 13.192 -2.38563 14.9531 HAL3 1707 0 0 0 0.09 1711 1709 H12 SLES 1 14.3571 -1.43156 13.9554 HAL3 1707 0 0 0 0.09 1712 1710 H12 SLES 1 13.4045 -0.61796 15.2562 HAL3 1707 0 0 0 0.09 1713 1711 NA SLES 1 27.4546 -15.0445 31.1768 NA 0 0 0 0 1 1714 1712 S SLES 1 25.6188 -12.0487 32.1794 SL 1713 1714 1715 1716 1.33 1715 1713 OS1 SLES 1 25.5216 -12.7555 30.6634 OSL 1712 1717 0 0 -0.28 1716 1714 OS2 SLES 1 25.2305 -13.0689 33.1313 O2L 1712 0 0 0 -0.65 1717 1715 OS3 SLES 1 27.0107 -11.6995 32.3725 O2L 1712 0 0 0 -0.65 1718 1716 OS4 SLES 1 24.7849 -10.8697 32.3493 O2L 1712 0 0 0 -0.65 1719 1717 C2 SLES 1 24.4323 -12.1224 29.8677 CC32A 1713 1718 1719 1720 -0.11 1720 1718 H2A SLES 1 23.4541 -12.1736 30.4224 HCA2 1717 0 0 0 0.09 1721 1719 H2B SLES 1 24.6973 -11.0425 29.6952 HCA2 1717 0 0 0 0.09 1722 1720 C1 SLES 1 24.296 -12.8772 28.4615 CC32A 1717 1721 1722 1723 -0.01 1723 1721 H1B SLES 1 24.121 -13.9647 28.6304 HCA2 1720 0 0 0 0.09 1724 1722 H1A SLES 1 25.2333 -12.7517 27.8708 HCA2 1720 0 0 0 0.09 1725 1723 O1 SLES 1 23.2194 -12.5071 27.5225 OC30A 1720 1724 0 0 -0.34 1726 1724 C2 SLES 1 22.5914 -11.225 27.7335 CC32A 1723 1725 1726 1727 -0.01 1727 1725 H2A SLES 1 22.1717 -11.3445 28.7516 HCA2 1724 0 0 0 0.09 1728 1726 H2B SLES 1 23.4643 -10.5359 27.784 HCA2 1724 0 0 0 0.09 1729 1727 C1 SLES 1 21.5028 -10.624 26.7896 CC32A 1724 1728 1729 1730 -0.01 1730 1728 H1B SLES 1 20.4925 -10.9261 27.142 HCA2 1727 0 0 0 0.09 1731 1729 H1A SLES 1 21.5702 -9.51782 26.811 HCA2 1727 0 0 0 0.09 1732 1730 O1 SLES 1 21.3897 -10.9693 25.3716 OC30A 1727 1731 0 0 -0.34 1733 1731 C1 SLES 1 20.8426 -9.9035 24.5121 CTL2 1730 1732 1733 1734 -0.18 1734 1732 H11 SLES 1 20.4528 -9.11405 25.18 HAL2 1731 0 0 0 0.09 1735 1733 H12 SLES 1 21.7629 -9.52918 24.0181 HAL2 1731 0 0 0 0.09 1736 1734 C2 SLES 1 19.7562 -10.2592 23.4215 CTL2 1731 1735 1736 1737 -0.18 1737 1735 H21 SLES 1 19.5135 -11.3433 23.4887 HAL2 1734 0 0 0 0.09 1738 1736 H22 SLES 1 20.1805 -10.0652 22.412 HAL2 1734 0 0 0 0.09 1739 1737 C3 SLES 1 18.406 -9.40801 23.5977 CTL2 1734 1738 1739 1740 -0.18 1740 1738 H31 SLES 1 17.6254 -10.0586 24.0512 HAL2 1737 0 0 0 0.09 1741 1739 H32 SLES 1 18.5965 -8.56866 24.2958 HAL2 1737 0 0 0 0.09 1742 1740 C4 SLES 1 17.858 -8.82479 22.2296 CTL2 1737 1741 1742 1743 -0.18 1743 1741 H41 SLES 1 17.0094 -9.45222 21.8854 HAL2 1740 0 0 0 0.09 1744 1742 H42 SLES 1 18.6592 -8.88151 21.4616 HAL2 1740 0 0 0 0.09 1745 1743 C5 SLES 1 17.3699 -7.31152 22.3584 CTL2 1740 1744 1745 1746 -0.18 1746 1744 H51 SLES 1 17.2056 -7.07319 23.4325 HAL2 1743 0 0 0 0.09 1747 1745 H52 SLES 1 18.1714 -6.63826 21.9773 HAL2 1743 0 0 0 0.09 1748 1746 C6 SLES 1 16.0402 -7.02572 21.5638 CTL2 1743 1747 1748 1749 -0.18 1749 1747 H61 SLES 1 15.1895 -7.50992 22.094 HAL2 1746 0 0 0 0.09 1750 1748 H62 SLES 1 15.8552 -5.92613 21.5511 HAL2 1746 0 0 0 0.09 1751 1749 C7 SLES 1 16.0888 -7.54992 20.0937 CTL2 1746 1750 1751 1752 -0.18 1752 1750 H71 SLES 1 15.8673 -8.6402 20.0899 HAL2 1749 0 0 0 0.09 1753 1751 H72 SLES 1 17.1158 -7.40655 19.69 HAL2 1749 0 0 0 0.09 1754 1752 C8 SLES 1 15.0775 -6.8278 19.1689 CTL2 1749 1753 1754 1755 -0.18 1755 1753 H81 SLES 1 14.0896 -6.77391 19.6813 HAL2 1752 0 0 0 0.09 1756 1754 H82 SLES 1 15.4288 -5.78635 18.9884 HAL2 1752 0 0 0 0.09 1757 1755 C9 SLES 1 14.9031 -7.54638 17.8075 CTL2 1752 1756 1757 1758 -0.18 1758 1756 H91 SLES 1 14.5803 -8.59656 17.9899 HAL2 1755 0 0 0 0.09 1759 1757 H92 SLES 1 15.8851 -7.575 17.2838 HAL2 1755 0 0 0 0.09 1760 1758 C10 SLES 1 13.8648 -6.85114 16.8952 CTL2 1755 1759 1760 1761 -0.18 1761 1759 H10 SLES 1 12.8766 -6.84319 17.4093 HAL2 1758 0 0 0 0.09 1762 1760 H10 SLES 1 14.1753 -5.79452 16.7304 HAL2 1758 0 0 0 0.09 1763 1761 C11 SLES 1 13.7152 -7.55568 15.5208 CTL2 1758 1762 1763 1764 -0.18 1764 1762 H11 SLES 1 13.398 -8.60999 15.6907 HAL2 1761 0 0 0 0.09 1765 1763 H11 SLES 1 14.7094 -7.57711 15.0186 HAL2 1761 0 0 0 0.09 1766 1764 C12 SLES 1 12.6929 -6.87229 14.5761 CTL3 1761 1765 1766 1767 -0.27 1767 1765 H12 SLES 1 11.882 -7.58369 14.3046 HAL3 1764 0 0 0 0.09 1768 1766 H12 SLES 1 13.1949 -6.53419 13.6429 HAL3 1764 0 0 0 0.09 1769 1767 H12 SLES 1 12.237 -5.98851 15.0734 HAL3 1764 0 0 0 0.09 1770 1768 NA SLES 1 20.5421 -24.5192 30.4781 NA 0 0 0 0 1 1771 1769 S SLES 1 18.829 -21.6069 31.8688 SL 1770 1771 1772 1773 1.33 1772 1770 OS1 SLES 1 18.9233 -21.9581 30.2332 OSL 1769 1774 0 0 -0.28 1773 1771 OS2 SLES 1 18.2031 -22.752 32.4969 O2L 1769 0 0 0 -0.65 1774 1772 OS3 SLES 1 20.1946 -21.4766 32.3322 O2L 1769 0 0 0 -0.65 1775 1773 OS4 SLES 1 18.0824 -20.3995 32.1839 O2L 1769 0 0 0 -0.65 1776 1774 C2 SLES 1 18.0386 -21.0441 29.4572 CC32A 1770 1775 1776 1777 -0.11 1777 1775 H2A SLES 1 16.9815 -21.0941 29.841 HCA2 1774 0 0 0 0.09 1778 1776 H2B SLES 1 18.4198 -19.992 29.5759 HCA2 1774 0 0 0 0.09 1779 1777 C1 SLES 1 18.0722 -21.4605 27.9109 CC32A 1774 1778 1779 1780 -0.01 1780 1778 H1B SLES 1 17.7794 -22.53 27.7998 HCA2 1777 0 0 0 0.09 1781 1779 H1A SLES 1 19.1014 -21.3257 27.5038 HCA2 1777 0 0 0 0.09 1782 1780 O1 SLES 1 17.201 -20.7724 26.9385 OC30A 1777 1781 0 0 -0.34 1783 1781 C2 SLES 1 16.6588 -19.4987 27.346 CC32A 1780 1782 1783 1784 -0.01 1784 1782 H2A SLES 1 16.0682 -19.7807 28.2396 HCA2 1781 0 0 0 0.09 1785 1783 H2B SLES 1 17.5671 -18.9461 27.6762 HCA2 1781 0 0 0 0.09 1786 1784 C1 SLES 1 15.7964 -18.5843 26.4201 CC32A 1781 1785 1786 1787 -0.01 1787 1785 H1B SLES 1 14.7197 -18.8308 26.5469 HCA2 1784 0 0 0 0.09 1788 1786 H1A SLES 1 15.9538 -17.5243 26.7033 HCA2 1784 0 0 0 0.09 1789 1787 O1 SLES 1 15.8898 -18.6039 24.9593 OC30A 1784 1788 0 0 -0.34 1790 1788 C1 SLES 1 15.5853 -17.3218 24.2979 CTL2 1787 1789 1790 1791 -0.18 1791 1789 H11 SLES 1 15.1597 -16.6516 25.0664 HAL2 1788 0 0 0 0.09 1792 1790 H12 SLES 1 16.6032 -16.9644 24.0383 HAL2 1788 0 0 0 0.09 1793 1791 C2 SLES 1 14.6675 -17.3042 23.012 CTL2 1788 1792 1793 1794 -0.18 1794 1792 H21 SLES 1 14.3253 -18.3406 22.7941 HAL2 1791 0 0 0 0.09 1795 1793 H22 SLES 1 15.2677 -16.9523 22.1444 HAL2 1791 0 0 0 0.09 1796 1794 C3 SLES 1 13.3846 -16.3541 23.1849 CTL2 1791 1795 1796 1797 -0.18 1797 1795 H31 SLES 1 12.4871 -16.9876 23.3619 HAL2 1794 0 0 0 0.09 1798 1796 H32 SLES 1 13.5283 -15.7116 24.0763 HAL2 1794 0 0 0 0.09 1799 1797 C4 SLES 1 13.1219 -15.4317 21.923 CTL2 1794 1798 1799 1800 -0.18 1800 1798 H41 SLES 1 12.2913 -15.8649 21.3275 HAL2 1797 0 0 0 0.09 1801 1799 H42 SLES 1 14.0311 -15.4196 21.2841 HAL2 1797 0 0 0 0.09 1802 1800 C5 SLES 1 12.7505 -13.933 22.3241 CTL2 1797 1801 1802 1803 -0.18 1803 1801 H51 SLES 1 12.4321 -13.9107 23.3898 HAL2 1800 0 0 0 0.09 1804 1802 H52 SLES 1 13.6585 -13.2954 22.2249 HAL2 1800 0 0 0 0.09 1805 1803 C6 SLES 1 11.5995 -13.3271 21.4356 CTL2 1800 1804 1805 1806 -0.18 1806 1804 H61 SLES 1 10.6348 -13.8072 21.7146 HAL2 1803 0 0 0 0.09 1807 1805 H62 SLES 1 11.5139 -12.2359 21.6487 HAL2 1803 0 0 0 0.09 1808 1806 C7 SLES 1 11.8452 -13.5285 19.9068 CTL2 1803 1807 1808 1809 -0.18 1809 1807 H71 SLES 1 11.535 -14.5584 19.6221 HAL2 1806 0 0 0 0.09 1810 1808 H72 SLES 1 12.9332 -13.427 19.6965 HAL2 1806 0 0 0 0.09 1811 1809 C8 SLES 1 11.066 -12.5101 19.0378 CTL2 1806 1810 1811 1812 -0.18 1812 1810 H81 SLES 1 10.0153 -12.4481 19.4034 HAL2 1809 0 0 0 0.09 1813 1811 H82 SLES 1 11.53 -11.504 19.1522 HAL2 1809 0 0 0 0.09 1814 1812 C9 SLES 1 11.0579 -12.8963 17.5375 CTL2 1809 1813 1814 1815 -0.18 1815 1813 H91 SLES 1 10.6208 -13.9147 17.427 HAL2 1812 0 0 0 0.09 1816 1814 H92 SLES 1 12.1068 -12.9307 17.166 HAL2 1812 0 0 0 0.09 1817 1815 C10 SLES 1 10.2478 -11.9033 16.6707 CTL2 1812 1816 1817 1818 -0.18 1818 1816 H10 SLES 1 9.19269 -11.8862 17.0274 HAL2 1815 0 0 0 0.09 1819 1817 H10 SLES 1 10.6705 -10.881 16.7978 HAL2 1815 0 0 0 0.09 1820 1818 C11 SLES 1 10.2675 -12.2762 15.1646 CTL2 1815 1819 1820 1821 -0.18 1821 1819 H11 SLES 1 9.83752 -13.2966 15.0419 HAL2 1818 0 0 0 0.09 1822 1820 H11 SLES 1 11.3254 -12.3096 14.8171 HAL2 1818 0 0 0 0.09 1823 1821 C12 SLES 1 9.47735 -11.2897 14.2661 CTL3 1818 1822 1823 1824 -0.27 1824 1822 H12 SLES 1 8.66458 -11.8244 13.7268 HAL3 1821 0 0 0 0.09 1825 1823 H12 SLES 1 10.1536 -10.8237 13.516 HAL3 1821 0 0 0 0.09 1826 1824 H12 SLES 1 9.02295 -10.4837 14.8826 HAL3 1821 0 0 0 0.09 1827 1825 NA SLES 1 10.4931 -30.6438 30.0489 NA 0 0 0 0 1 1828 1826 S SLES 1 8.76511 -27.7522 31.4642 SL 1827 1828 1829 1830 1.33 1829 1827 OS1 SLES 1 9.21194 -27.894 29.8556 OSL 1826 1831 0 0 -0.28 1830 1828 OS2 SLES 1 7.90936 -28.8847 31.7517 O2L 1826 0 0 0 -0.65 1831 1829 OS3 SLES 1 9.98844 -27.8521 32.2324 O2L 1826 0 0 0 -0.65 1832 1830 OS4 SLES 1 8.07532 -26.5146 31.7912 O2L 1826 0 0 0 -0.65 1833 1831 C2 SLES 1 8.62049 -26.7846 29.0559 CC32A 1827 1832 1833 1834 -0.11 1834 1832 H2A SLES 1 7.50251 -26.7549 29.1839 HCA2 1831 0 0 0 0.09 1835 1833 H2B SLES 1 9.05467 -25.8119 29.4187 HCA2 1831 0 0 0 0.09 1836 1834 C1 SLES 1 8.98177 -26.9949 27.5096 CC32A 1831 1835 1836 1837 -0.01 1837 1835 H1B SLES 1 8.62979 -27.9965 27.1709 HCA2 1834 0 0 0 0.09 1838 1836 H1A SLES 1 10.0858 -26.9347 27.3662 HCA2 1834 0 0 0 0.09 1839 1837 O1 SLES 1 8.42983 -26.0835 26.4885 OC30A 1834 1838 0 0 -0.34 1840 1838 C2 SLES 1 7.92183 -24.8177 26.9601 CC32A 1837 1839 1840 1841 -0.01 1841 1839 H2A SLES 1 7.11402 -25.1404 27.6458 HCA2 1838 0 0 0 0.09 1842 1840 H2B SLES 1 8.77165 -24.4287 27.5649 HCA2 1838 0 0 0 0.09 1843 1841 C1 SLES 1 7.38752 -23.6908 26.021 CC32A 1838 1842 1843 1844 -0.01 1844 1842 H1B SLES 1 6.2939 -23.8183 25.8667 HCA2 1841 0 0 0 0.09 1845 1843 H1A SLES 1 7.56685 -22.7046 26.494 HCA2 1841 0 0 0 0.09 1846 1844 O1 SLES 1 7.8216 -23.5294 24.6323 OC30A 1841 1845 0 0 -0.34 1847 1845 C1 SLES 1 7.79715 -22.1439 24.1286 CTL2 1844 1846 1847 1848 -0.18 1848 1846 H11 SLES 1 7.26303 -21.5336 24.8791 HAL2 1845 0 0 0 0.09 1849 1847 H12 SLES 1 8.87515 -21.8827 24.1595 HAL2 1845 0 0 0 0.09 1850 1848 C2 SLES 1 7.21476 -21.845 22.6906 CTL2 1845 1849 1850 1851 -0.18 1851 1849 H21 SLES 1 6.84314 -22.7941 22.2433 HAL2 1848 0 0 0 0.09 1852 1850 H22 SLES 1 8.0318 -21.4582 22.043 HAL2 1848 0 0 0 0.09 1853 1851 C3 SLES 1 6.01686 -20.7762 22.722 CTL2 1848 1852 1853 1854 -0.18 1854 1852 H31 SLES 1 5.05034 -21.3129 22.5952 HAL2 1851 0 0 0 0.09 1855 1853 H32 SLES 1 6.00213 -20.279 23.7124 HAL2 1851 0 0 0 0.09 1856 1854 C4 SLES 1 6.14287 -19.6706 21.5933 CTL2 1851 1855 1856 1857 -0.18 1857 1855 H41 SLES 1 5.44161 -19.9168 20.7688 HAL2 1854 0 0 0 0.09 1858 1856 H42 SLES 1 7.17478 -19.6859 21.181 HAL2 1854 0 0 0 0.09 1859 1857 C5 SLES 1 5.82168 -18.2037 22.1316 CTL2 1854 1858 1859 1860 -0.18 1860 1858 H51 SLES 1 5.26362 -18.2829 23.0906 HAL2 1857 0 0 0 0.09 1861 1859 H52 SLES 1 6.78033 -17.6745 22.3363 HAL2 1857 0 0 0 0.09 1862 1860 C6 SLES 1 4.97192 -17.3498 21.1165 CTL2 1857 1861 1862 1863 -0.18 1863 1861 H61 SLES 1 3.92987 -17.7408 21.097 HAL2 1860 0 0 0 0.09 1864 1862 H62 SLES 1 4.93554 -16.294 21.4733 HAL2 1860 0 0 0 0.09 1865 1863 C7 SLES 1 5.55328 -17.3769 19.6676 CTL2 1860 1864 1865 1866 -0.18 1866 1864 H71 SLES 1 5.22906 -18.3146 19.1641 HAL2 1863 0 0 0 0.09 1867 1865 H72 SLES 1 6.66477 -17.3826 19.7214 HAL2 1863 0 0 0 0.09 1868 1866 C8 SLES 1 5.09517 -16.1654 18.818 CTL2 1863 1867 1868 1869 -0.18 1869 1867 H81 SLES 1 3.99762 -16.0239 18.9475 HAL2 1866 0 0 0 0.09 1870 1868 H82 SLES 1 5.60641 -15.2475 19.1878 HAL2 1866 0 0 0 0.09 1871 1869 C9 SLES 1 5.40785 -16.3469 17.3115 CTL2 1866 1870 1871 1872 -0.18 1872 1870 H91 SLES 1 4.9207 -17.2807 16.9495 HAL2 1869 0 0 0 0.09 1873 1871 H92 SLES 1 6.5076 -16.4602 17.1802 HAL2 1869 0 0 0 0.09 1874 1872 C10 SLES 1 4.91713 -15.157 16.4532 CTL2 1869 1873 1874 1875 -0.18 1875 1873 H10 SLES 1 3.81339 -15.0579 16.5661 HAL2 1872 0 0 0 0.09 1876 1874 H10 SLES 1 5.38676 -14.2197 16.8287 HAL2 1872 0 0 0 0.09 1877 1875 C11 SLES 1 5.25924 -15.328 14.9494 CTL2 1872 1876 1877 1878 -0.18 1878 1876 H11 SLES 1 4.78166 -16.263 14.5769 HAL2 1875 0 0 0 0.09 1879 1877 H11 SLES 1 6.36201 -15.4446 14.8434 HAL2 1875 0 0 0 0.09 1880 1878 C12 SLES 1 4.7947 -14.1427 14.064 CTL3 1875 1879 1880 1881 -0.27 1881 1879 H12 SLES 1 4.08838 -14.4982 13.2817 HAL3 1878 0 0 0 0.09 1882 1880 H12 SLES 1 5.66782 -13.6683 13.5641 HAL3 1878 0 0 0 0.09 1883 1881 H12 SLES 1 4.28078 -13.3753 14.683 HAL3 1878 0 0 0 0.09 1884 1882 NA SLES 1 -1.20896 -32.5152 29.8894 NA 0 0 0 0 1 1885 1883 S SLES 1 -2.95024 -29.488 30.9639 SL 1884 1885 1886 1887 1.33 1886 1884 OS1 SLES 1 -2.10216 -29.6325 29.5261 OSL 1883 1888 0 0 -0.28 1887 1885 OS2 SLES 1 -3.96293 -30.5233 30.9464 O2L 1883 0 0 0 -0.65 1888 1886 OS3 SLES 1 -1.99696 -29.7498 32.0219 O2L 1883 0 0 0 -0.65 1889 1887 OS4 SLES 1 -3.5725 -28.1899 31.1687 O2L 1883 0 0 0 -0.65 1890 1888 C2 SLES 1 -2.3388 -28.4396 28.6651 CC32A 1884 1889 1890 1891 -0.11 1891 1889 H2A SLES 1 -3.44067 -28.2861 28.4934 HCA2 1888 0 0 0 0.09 1892 1890 H2B SLES 1 -1.92181 -27.5341 29.187 HCA2 1888 0 0 0 0.09 1893 1891 C1 SLES 1 -1.59646 -28.6442 27.2605 CC32A 1888 1892 1893 1894 -0.01 1894 1892 H1B SLES 1 -1.94424 -29.5885 26.782 HCA2 1891 0 0 0 0.09 1895 1893 H1A SLES 1 -0.494575 -28.7064 27.4191 HCA2 1891 0 0 0 0.09 1896 1894 O1 SLES 1 -1.7557 -27.6459 26.1853 OC30A 1891 1895 0 0 -0.34 1897 1895 C2 SLES 1 -2.24012 -26.3448 26.5792 CC32A 1894 1896 1897 1898 -0.01 1898 1896 H2A SLES 1 -3.23179 -26.5931 27.0055 HCA2 1895 0 0 0 0.09 1899 1897 H2B SLES 1 -1.55028 -26.0735 27.4097 HCA2 1895 0 0 0 0.09 1900 1898 C1 SLES 1 -2.38261 -25.1371 25.6002 CC32A 1895 1899 1900 1901 -0.01 1901 1899 H1B SLES 1 -3.40089 -25.134 25.154 HCA2 1898 0 0 0 0.09 1902 1900 H1A SLES 1 -2.23801 -24.1922 26.1614 HCA2 1898 0 0 0 0.09 1903 1901 O1 SLES 1 -1.57519 -24.9854 24.3887 OC30A 1898 1902 0 0 -0.34 1904 1902 C1 SLES 1 -1.32082 -23.592 23.9793 CTL2 1901 1903 1904 1905 -0.18 1905 1903 H11 SLES 1 -1.97267 -22.947 24.596 HAL2 1902 0 0 0 0.09 1906 1904 H12 SLES 1 -0.270475 -23.4567 24.3106 HAL2 1902 0 0 0 0.09 1907 1905 C2 SLES 1 -1.45913 -23.1862 22.4587 CTL2 1902 1906 1907 1908 -0.18 1908 1906 H21 SLES 1 -1.791 -24.0729 21.8735 HAL2 1905 0 0 0 0.09 1909 1907 H22 SLES 1 -0.462368 -22.8764 22.0752 HAL2 1905 0 0 0 0.09 1910 1908 C3 SLES 1 -2.50518 -21.9888 22.2342 CTL2 1905 1909 1910 1911 -0.18 1911 1909 H31 SLES 1 -3.45104 -22.4075 21.8239 HAL2 1908 0 0 0 0.09 1912 1910 H32 SLES 1 -2.73616 -21.5226 23.2127 HAL2 1908 0 0 0 0.09 1913 1911 C4 SLES 1 -1.96644 -20.8721 21.2468 CTL2 1908 1912 1913 1914 -0.18 1914 1912 H41 SLES 1 -2.44009 -21.0121 20.2527 HAL2 1911 0 0 0 0.09 1915 1913 H42 SLES 1 -0.868689 -20.9931 21.1231 HAL2 1911 0 0 0 0.09 1916 1914 C5 SLES 1 -2.2695 -19.3946 21.7663 CTL2 1911 1915 1916 1917 -0.18 1917 1915 H51 SLES 1 -3.07109 -19.4377 22.5364 HAL2 1914 0 0 0 0.09 1918 1916 H52 SLES 1 -1.353 -18.9847 22.249 HAL2 1914 0 0 0 0.09 1919 1917 C6 SLES 1 -2.72138 -18.4196 20.6145 CTL2 1914 1918 1919 1920 -0.18 1920 1918 H61 SLES 1 -3.75364 -18.6881 20.296 HAL2 1917 0 0 0 0.09 1921 1919 H62 SLES 1 -2.74472 -17.3775 21.0106 HAL2 1917 0 0 0 0.09 1922 1920 C7 SLES 1 -1.77592 -18.4703 19.3728 CTL2 1917 1921 1922 1923 -0.18 1923 1921 H71 SLES 1 -2.04604 -19.3494 18.7468 HAL2 1920 0 0 0 0.09 1924 1922 H72 SLES 1 -0.726986 -18.6045 19.7193 HAL2 1920 0 0 0 0.09 1925 1923 C8 SLES 1 -1.86101 -17.1897 18.5053 CTL2 1920 1924 1925 1926 -0.18 1926 1924 H81 SLES 1 -2.93228 -16.9276 18.347 HAL2 1923 0 0 0 0.09 1927 1925 H82 SLES 1 -1.37774 -16.3476 19.0512 HAL2 1923 0 0 0 0.09 1928 1926 C9 SLES 1 -1.17301 -17.3613 17.1278 CTL2 1923 1927 1928 1929 -0.18 1929 1927 H91 SLES 1 -1.63696 -18.2222 16.5949 HAL2 1926 0 0 0 0.09 1930 1928 H92 SLES 1 -0.0962872 -17.5957 17.2867 HAL2 1926 0 0 0 0.09 1931 1929 C10 SLES 1 -1.28919 -16.0983 16.242 CTL2 1926 1930 1931 1932 -0.18 1932 1930 H10 SLES 1 -2.36622 -15.8771 16.0636 HAL2 1929 0 0 0 0.09 1933 1931 H10 SLES 1 -0.845293 -15.2323 16.7834 HAL2 1929 0 0 0 0.09 1934 1932 C11 SLES 1 -0.57264 -16.2629 14.8755 CTL2 1929 1933 1934 1935 -0.18 1935 1933 H11 SLES 1 -1.02473 -17.1258 14.335 HAL2 1932 0 0 0 0.09 1936 1934 H11 SLES 1 0.499812 -16.5016 15.0593 HAL2 1932 0 0 0 0.09 1937 1935 C12 SLES 1 -0.656905 -15.0067 13.9703 CTL3 1932 1936 1937 1938 -0.27 1938 1936 H12 SLES 1 -1.15796 -15.2559 13.009 HAL3 1935 0 0 0 0.09 1939 1937 H12 SLES 1 0.362586 -14.6207 13.749 HAL3 1935 0 0 0 0.09 1940 1938 H12 SLES 1 -1.23778 -14.2041 14.475 HAL3 1935 0 0 0 0.09 1941 1939 NA SLES 1 -12.873 -29.8142 29.958 NA 0 0 0 0 1 1942 1940 S SLES 1 -14.4606 -26.5505 30.3805 SL 1941 1942 1943 1944 1.33 1943 1941 OS1 SLES 1 -13.2889 -26.8917 29.2324 OSL 1940 1945 0 0 -0.28 1944 1942 OS2 SLES 1 -15.5494 -27.4746 30.14 O2L 1940 0 0 0 -0.65 1945 1943 OS3 SLES 1 -13.8561 -26.8261 31.6671 O2L 1940 0 0 0 -0.65 1946 1944 OS4 SLES 1 -14.9551 -25.1834 30.349 O2L 1940 0 0 0 -0.65 1947 1945 C2 SLES 1 -13.1474 -25.7509 28.2844 CC32A 1941 1946 1947 1948 -0.11 1948 1946 H2A SLES 1 -14.1393 -25.499 27.8154 HCA2 1945 0 0 0 0.09 1949 1947 H2B SLES 1 -12.7767 -24.8553 28.856 HCA2 1945 0 0 0 0.09 1950 1948 C1 SLES 1 -12.0929 -26.1384 27.1426 CC32A 1945 1949 1950 1951 -0.01 1951 1949 H1B SLES 1 -12.4133 -27.0762 26.6331 HCA2 1948 0 0 0 0.09 1952 1950 H1A SLES 1 -11.0867 -26.3008 27.5946 HCA2 1948 0 0 0 0.09 1953 1951 O1 SLES 1 -11.8445 -25.2151 26.0185 OC30A 1948 1952 0 0 -0.34 1954 1952 C2 SLES 1 -12.2562 -23.8447 26.2057 CC32A 1951 1953 1954 1955 -0.01 1955 1953 H2A SLES 1 -13.3472 -23.9563 26.3607 HCA2 1952 0 0 0 0.09 1956 1954 H2B SLES 1 -11.7808 -23.5822 27.1775 HCA2 1952 0 0 0 0.09 1957 1955 C1 SLES 1 -11.9919 -22.7079 25.1688 CC32A 1952 1956 1957 1958 -0.01 1958 1956 H1B SLES 1 -12.8497 -22.6349 24.4654 HCA2 1955 0 0 0 0.09 1959 1957 H1A SLES 1 -11.8876 -21.7423 25.703 HCA2 1955 0 0 0 0.09 1960 1958 O1 SLES 1 -10.8831 -22.7339 24.2134 OC30A 1955 1959 0 0 -0.34 1961 1959 C1 SLES 1 -10.3658 -21.4096 23.8225 CTL2 1958 1960 1961 1962 -0.18 1962 1960 H11 SLES 1 -11.0746 -20.6555 24.2099 HAL2 1959 0 0 0 0.09 1963 1961 H12 SLES 1 -9.43061 -21.3576 24.4175 HAL2 1959 0 0 0 0.09 1964 1962 C2 SLES 1 -10.0513 -21.1105 22.3034 CTL2 1959 1963 1964 1965 -0.18 1965 1963 H21 SLES 1 -10.3217 -22.001 21.6929 HAL2 1962 0 0 0 0.09 1966 1964 H22 SLES 1 -8.9593 -20.9351 22.1881 HAL2 1962 0 0 0 0.09 1967 1965 C3 SLES 1 -10.8512 -19.833 21.7496 CTL2 1962 1966 1967 1968 -0.18 1968 1966 H31 SLES 1 -11.6995 -20.1829 21.1201 HAL2 1965 0 0 0 0.09 1969 1967 H32 SLES 1 -11.2732 -19.2714 22.6068 HAL2 1965 0 0 0 0.09 1970 1968 C4 SLES 1 -9.94323 -18.857 20.8922 CTL2 1965 1969 1970 1971 -0.18 1971 1969 H41 SLES 1 -10.1531 -19.0241 19.815 HAL2 1968 0 0 0 0.09 1972 1970 H42 SLES 1 -8.874 -19.0992 21.0742 HAL2 1968 0 0 0 0.09 1973 1971 C5 SLES 1 -10.1931 -17.3205 21.2408 CTL2 1968 1972 1973 1974 -0.18 1974 1972 H51 SLES 1 -11.1677 -17.2217 21.7679 HAL2 1971 0 0 0 0.09 1975 1973 H52 SLES 1 -9.39299 -16.9708 21.9324 HAL2 1971 0 0 0 0.09 1976 1974 C6 SLES 1 -10.2076 -16.3963 19.9653 CTL2 1971 1975 1976 1977 -0.18 1977 1975 H61 SLES 1 -11.1448 -16.5813 19.3938 HAL2 1974 0 0 0 0.09 1978 1976 H62 SLES 1 -10.2093 -15.3298 20.291 HAL2 1974 0 0 0 0.09 1979 1977 C7 SLES 1 -8.98289 -16.6393 19.0276 CTL2 1974 1978 1979 1980 -0.18 1980 1978 H71 SLES 1 -9.18252 -17.5319 18.3941 HAL2 1977 0 0 0 0.09 1981 1979 H72 SLES 1 -8.08521 -16.8533 19.6495 HAL2 1977 0 0 0 0.09 1982 1980 C8 SLES 1 -8.68413 -15.4277 18.1099 CTL2 1977 1981 1982 1983 -0.18 1983 1981 H81 SLES 1 -9.63723 -15.0701 17.657 HAL2 1980 0 0 0 0.09 1984 1982 H82 SLES 1 -8.26381 -14.6 18.7254 HAL2 1980 0 0 0 0.09 1985 1983 C9 SLES 1 -7.68481 -15.7748 16.978 CTL2 1980 1984 1985 1986 -0.18 1986 1984 H91 SLES 1 -8.09229 -16.6221 16.3811 HAL2 1983 0 0 0 0.09 1987 1985 H92 SLES 1 -6.72332 -16.1054 17.4316 HAL2 1983 0 0 0 0.09 1988 1986 C10 SLES 1 -7.41312 -14.5787 16.0352 CTL2 1983 1987 1988 1989 -0.18 1989 1987 H10 SLES 1 -8.37135 -14.2626 15.5633 HAL2 1986 0 0 0 0.09 1990 1988 H10 SLES 1 -7.02649 -13.7236 16.6347 HAL2 1986 0 0 0 0.09 1991 1989 C11 SLES 1 -6.3885 -14.9209 14.9212 CTL2 1986 1990 1991 1992 -0.18 1992 1990 H11 SLES 1 -6.78286 -15.7721 14.3203 HAL2 1989 0 0 0 0.09 1993 1991 H11 SLES 1 -5.43815 -15.2535 15.3979 HAL2 1989 0 0 0 0.09 1994 1992 C12 SLES 1 -6.08198 -13.7363 13.9687 CTL3 1989 1993 1994 1995 -0.27 1995 1993 H12 SLES 1 -6.33966 -14.0064 12.9208 HAL3 1992 0 0 0 0.09 1996 1994 H12 SLES 1 -5.00158 -13.4752 14.0119 HAL3 1992 0 0 0 0.09 1997 1995 H12 SLES 1 -6.67465 -12.8419 14.26 HAL3 1992 0 0 0 0.09 1998 1996 NA SLES 1 -22.7933 -22.8429 30.1786 NA 0 0 0 0 1 1999 1997 S SLES 1 -23.99 -19.4187 29.739 SL 1998 1999 2000 2001 1.33 2000 1998 OS1 SLES 1 -22.6555 -20.0629 28.9569 OSL 1997 2002 0 0 -0.28 2001 1999 OS2 SLES 1 -25.1144 -20.2621 29.39 O2L 1997 0 0 0 -0.65 2002 2000 OS3 SLES 1 -23.7162 -19.5252 31.1568 O2L 1997 0 0 0 -0.65 2003 2001 OS4 SLES 1 -24.2817 -18.0366 29.3939 O2L 1997 0 0 0 -0.65 2004 2002 C2 SLES 1 -22.1656 -19.1211 27.9113 CC32A 1998 2003 2004 2005 -0.11 2005 2003 H2A SLES 1 -22.9922 -18.8601 27.1932 HCA2 2002 0 0 0 0.09 2006 2004 H2B SLES 1 -21.8108 -18.1801 28.4161 HCA2 2002 0 0 0 0.09 2007 2005 C1 SLES 1 -20.9519 -19.7983 27.1149 CC32A 2002 2006 2007 2008 -0.01 2008 2006 H1B SLES 1 -21.2769 -20.7749 26.6877 HCA2 2005 0 0 0 0.09 2009 2007 H1A SLES 1 -20.0959 -19.9759 27.8069 HCA2 2005 0 0 0 0.09 2010 2008 O1 SLES 1 -20.3495 -19.1104 25.9566 OC30A 2005 2009 0 0 -0.34 2011 2009 C2 SLES 1 -20.6073 -17.6952 25.8406 CC32A 2008 2010 2011 2012 -0.01 2012 2010 H2A SLES 1 -21.7113 -17.6737 25.7526 HCA2 2009 0 0 0 0.09 2013 2011 H2B SLES 1 -20.3203 -17.316 26.8471 HCA2 2009 0 0 0 0.09 2014 2012 C1 SLES 1 -19.98 -16.7844 24.7387 CC32A 2009 2013 2014 2015 -0.01 2015 2013 H1B SLES 1 -20.6505 -16.752 23.8524 HCA2 2012 0 0 0 0.09 2016 2014 H1A SLES 1 -19.866 -15.7558 25.1354 HCA2 2012 0 0 0 0.09 2017 2015 O1 SLES 1 -18.706 -17.0804 24.0813 OC30A 2012 2016 0 0 -0.34 2018 2016 C1 SLES 1 -17.9472 -15.8988 23.6318 CTL2 2015 2017 2018 2019 -0.18 2019 2017 H11 SLES 1 -18.6166 -15.025 23.7295 HAL2 2016 0 0 0 0.09 2020 2018 H12 SLES 1 -17.1623 -15.8347 24.4135 HAL2 2016 0 0 0 0.09 2021 2019 C2 SLES 1 -17.2787 -15.897 22.2003 CTL2 2016 2020 2021 2022 -0.18 2022 2020 H21 SLES 1 -17.5274 -16.8494 21.6807 HAL2 2019 0 0 0 0.09 2023 2021 H22 SLES 1 -16.1739 -15.8493 22.3173 HAL2 2019 0 0 0 0.09 2024 2022 C3 SLES 1 -17.7663 -14.6635 21.2952 CTL2 2019 2023 2024 2025 -0.18 2025 2023 H31 SLES 1 -18.499 -15.0339 20.544 HAL2 2022 0 0 0 0.09 2026 2024 H32 SLES 1 -18.2838 -13.925 21.9394 HAL2 2022 0 0 0 0.09 2027 2025 C4 SLES 1 -16.5754 -13.941 20.5388 CTL2 2022 2026 2027 2028 -0.18 2028 2026 H41 SLES 1 -16.5704 -14.2702 19.4787 HAL2 2025 0 0 0 0.09 2029 2027 H42 SLES 1 -15.6113 -14.2492 20.9975 HAL2 2025 0 0 0 0.09 2030 2028 C5 SLES 1 -16.6892 -12.3507 20.5913 CTL2 2025 2029 2030 2031 -0.18 2031 2029 H51 SLES 1 -17.7322 -12.0699 20.8574 HAL2 2028 0 0 0 0.09 2032 2030 H52 SLES 1 -16.0164 -11.9652 21.3911 HAL2 2028 0 0 0 0.09 2033 2031 C6 SLES 1 -16.3088 -11.6627 19.2262 CTL2 2028 2032 2033 2034 -0.18 2034 2032 H61 SLES 1 -17.1182 -11.853 18.4861 HAL2 2031 0 0 0 0.09 2035 2033 H62 SLES 1 -16.2394 -10.5609 19.3831 HAL2 2031 0 0 0 0.09 2036 2034 C7 SLES 1 -14.955 -12.1795 18.6445 CTL2 2031 2035 2036 2037 -0.18 2037 2035 H71 SLES 1 -15.1306 -13.1445 18.1195 HAL2 2034 0 0 0 0.09 2038 2036 H72 SLES 1 -14.2472 -12.368 19.4822 HAL2 2034 0 0 0 0.09 2039 2037 C8 SLES 1 -14.31 -11.1781 17.6542 CTL2 2034 2038 2039 2040 -0.18 2040 2038 H81 SLES 1 -15.0886 -10.8144 16.9451 HAL2 2037 0 0 0 0.09 2041 2039 H82 SLES 1 -13.9255 -10.3007 18.2227 HAL2 2037 0 0 0 0.09 2042 2040 C9 SLES 1 -13.1466 -11.8087 16.8486 CTL2 2037 2041 2042 2043 -0.18 2043 2041 H91 SLES 1 -13.5251 -12.7033 16.3039 HAL2 2040 0 0 0 0.09 2044 2042 H92 SLES 1 -12.3564 -12.1466 17.5564 HAL2 2040 0 0 0 0.09 2045 2043 C10 SLES 1 -12.5244 -10.8243 15.8302 CTL2 2040 2044 2045 2046 -0.18 2046 2044 H10 SLES 1 -13.3094 -10.5042 15.1077 HAL2 2043 0 0 0 0.09 2047 2045 H10 SLES 1 -12.1655 -9.91971 16.3714 HAL2 2043 0 0 0 0.09 2048 2046 C11 SLES 1 -11.3397 -11.4495 15.0469 CTL2 2043 2047 2048 2049 -0.18 2049 2047 H11 SLES 1 -11.7052 -12.3498 14.5019 HAL2 2046 0 0 0 0.09 2050 2048 H11 SLES 1 -10.5655 -11.7843 15.7746 HAL2 2046 0 0 0 0.09 2051 2049 C12 SLES 1 -10.6832 -10.4814 14.0289 CTL3 2046 2050 2051 2052 -0.27 2052 2050 H12 SLES 1 -10.7443 -10.902 13.0009 HAL3 2049 0 0 0 0.09 2053 2051 H12 SLES 1 -9.61225 -10.3212 14.2831 HAL3 2049 0 0 0 0.09 2054 2052 H12 SLES 1 -11.2012 -9.49775 14.0406 HAL3 2049 0 0 0 0.09 2055 2053 NA SLES 1 -29.462 -12.5163 30.4535 NA 0 0 0 0 1 2056 2054 S SLES 1 -30.12 -9.19828 29.0721 SL 2055 2056 2057 2058 1.33 2057 2055 OS1 SLES 1 -28.7917 -10.1409 28.6792 OSL 2054 2059 0 0 -0.28 2058 2056 OS2 SLES 1 -31.2906 -9.98555 28.7444 O2L 2054 0 0 0 -0.65 2059 2057 OS3 SLES 1 -30.0543 -8.98603 30.5029 O2L 2054 0 0 0 -0.65 2060 2058 OS4 SLES 1 -30.1754 -7.91841 28.3841 O2L 2054 0 0 0 -0.65 2061 2059 C2 SLES 1 -28.0452 -9.53246 27.5422 CC32A 2055 2060 2061 2062 -0.11 2062 2060 H2A SLES 1 -28.7263 -9.37198 26.6605 HCA2 2059 0 0 0 0.09 2063 2061 H2B SLES 1 -27.638 -8.53726 27.8739 HCA2 2059 0 0 0 0.09 2064 2062 C1 SLES 1 -26.8379 -10.4984 27.1235 CC32A 2059 2063 2064 2065 -0.01 2065 2063 H1B SLES 1 -27.2309 -11.5122 26.879 HCA2 2062 0 0 0 0.09 2066 2064 H1A SLES 1 -26.1133 -10.5876 27.9662 HCA2 2062 0 0 0 0.09 2067 2065 O1 SLES 1 -25.9999 -10.1734 25.953 OC30A 2062 2066 0 0 -0.34 2068 2066 C2 SLES 1 -26.0482 -8.80967 25.4834 CC32A 2065 2067 2068 2069 -0.01 2069 2067 H2A SLES 1 -27.1176 -8.70095 25.2164 HCA2 2066 0 0 0 0.09 2070 2068 H2B SLES 1 -25.8496 -8.22908 26.4123 HCA2 2066 0 0 0 0.09 2071 2069 C1 SLES 1 -25.1634 -8.25833 24.3212 CC32A 2066 2070 2071 2072 -0.01 2072 2070 H1B SLES 1 -25.6994 -8.37459 23.3541 HCA2 2069 0 0 0 0.09 2073 2071 H1A SLES 1 -24.9665 -7.1808 24.4908 HCA2 2069 0 0 0 0.09 2074 2072 O1 SLES 1 -23.8644 -8.82863 23.9605 OC30A 2069 2073 0 0 -0.34 2075 2073 C1 SLES 1 -22.9011 -7.87141 23.3862 CTL2 2072 2074 2075 2076 -0.18 2076 2074 H11 SLES 1 -23.4545 -6.93809 23.1768 HAL2 2073 0 0 0 0.09 2077 2075 H12 SLES 1 -22.2259 -7.69858 24.2495 HAL2 2073 0 0 0 0.09 2078 2076 C2 SLES 1 -22.0538 -8.2813 22.1173 CTL2 2073 2077 2078 2079 -0.18 2079 2077 H21 SLES 1 -22.3563 -9.30149 21.7909 HAL2 2076 0 0 0 0.09 2080 2078 H22 SLES 1 -20.9781 -8.31619 22.3969 HAL2 2076 0 0 0 0.09 2081 2079 C3 SLES 1 -22.2468 -7.26062 20.8928 CTL2 2076 2080 2081 2082 -0.18 2082 2080 H31 SLES 1 -22.9158 -7.72699 20.1357 HAL2 2079 0 0 0 0.09 2083 2081 H32 SLES 1 -22.7419 -6.34106 21.2635 HAL2 2079 0 0 0 0.09 2084 2082 C4 SLES 1 -20.8799 -6.8634 20.1956 CTL2 2079 2083 2084 2085 -0.18 2085 2083 H41 SLES 1 -20.7778 -7.43746 19.2511 HAL2 2082 0 0 0 0.09 2086 2084 H42 SLES 1 -20.0355 -7.14564 20.8607 HAL2 2082 0 0 0 0.09 2087 2085 C5 SLES 1 -20.7857 -5.30419 19.8719 CTL2 2082 2086 2087 2088 -0.18 2088 2086 H51 SLES 1 -21.8077 -4.86573 19.8971 HAL2 2085 0 0 0 0.09 2089 2087 H52 SLES 1 -20.1799 -4.80557 20.6627 HAL2 2085 0 0 0 0.09 2090 2088 C6 SLES 1 -20.1382 -5.00704 18.467 CTL2 2085 2089 2090 2091 -0.18 2091 2089 H61 SLES 1 -20.8598 -5.28922 17.6679 HAL2 2088 0 0 0 0.09 2092 2090 H62 SLES 1 -19.9434 -3.91235 18.3823 HAL2 2088 0 0 0 0.09 2093 2091 C7 SLES 1 -18.8004 -5.78019 18.2413 CTL2 2088 2092 2093 2094 -0.18 2094 2092 H71 SLES 1 -19.0321 -6.82116 17.9243 HAL2 2091 0 0 0 0.09 2095 2093 H72 SLES 1 -18.2422 -5.83 19.2026 HAL2 2091 0 0 0 0.09 2096 2094 C8 SLES 1 -17.901 -5.11615 17.1691 CTL2 2091 2095 2096 2097 -0.18 2097 2095 H81 SLES 1 -18.5224 -4.85917 16.2807 HAL2 2094 0 0 0 0.09 2098 2096 H82 SLES 1 -17.4817 -4.17005 17.581 HAL2 2094 0 0 0 0.09 2099 2097 C9 SLES 1 -16.7356 -6.03446 16.723 CTL2 2094 2098 2099 2100 -0.18 2100 2098 H91 SLES 1 -17.1546 -6.99209 16.3387 HAL2 2097 0 0 0 0.09 2101 2099 H92 SLES 1 -16.0992 -6.268 17.6061 HAL2 2097 0 0 0 0.09 2102 2100 C10 SLES 1 -15.8572 -5.39138 15.6238 CTL2 2097 2101 2102 2103 -0.18 2103 2101 H10 SLES 1 -16.4889 -5.17901 14.7313 HAL2 2100 0 0 0 0.09 2104 2102 H10 SLES 1 -15.4557 -4.42297 15.9994 HAL2 2100 0 0 0 0.09 2105 2103 C11 SLES 1 -14.6731 -6.30113 15.2015 CTL2 2100 2104 2105 2106 -0.18 2106 2104 H11 SLES 1 -15.08 -7.2656 14.8202 HAL2 2103 0 0 0 0.09 2107 2105 H11 SLES 1 -14.0546 -6.52532 16.1004 HAL2 2103 0 0 0 0.09 2108 2106 C12 SLES 1 -13.7633 -5.67711 14.1118 CTL3 2103 2107 2108 2109 -0.27 2109 2107 H12 SLES 1 -13.7426 -6.32508 13.2079 HAL3 2106 0 0 0 0.09 2110 2108 H12 SLES 1 -12.724 -5.56693 14.4927 HAL3 2106 0 0 0 0.09 2111 2109 H12 SLES 1 -14.1418 -4.67338 13.8197 HAL3 2106 0 0 0 0.09 2112 2110 NA SLES 1 -31.7938 -0.276845 30.6783 NA 0 0 0 0 1 2113 2111 S SLES 1 -31.9825 2.5858 28.4156 SL 2112 2113 2114 2115 1.33 2114 2112 OS1 SLES 1 -30.7712 1.42867 28.3793 OSL 2111 2116 0 0 -0.28 2115 2113 OS2 SLES 1 -33.2315 1.87531 28.2348 O2L 2111 0 0 0 -0.65 2116 2114 OS3 SLES 1 -31.9379 3.17433 29.7378 O2L 2111 0 0 0 -0.65 2117 2115 OS4 SLES 1 -31.8534 3.62514 27.4068 O2L 2111 0 0 0 -0.65 2118 2116 C2 SLES 1 -29.9169 1.6134 27.1726 CC32A 2112 2117 2118 2119 -0.11 2119 2117 H2A SLES 1 -30.5429 1.60077 26.2371 HCA2 2116 0 0 0 0.09 2120 2118 H2B SLES 1 -29.3988 2.60923 27.2508 HCA2 2116 0 0 0 0.09 2121 2119 C1 SLES 1 -28.8279 0.440427 27.1097 CC32A 2116 2120 2121 2122 -0.01 2122 2120 H1B SLES 1 -29.3371 -0.550687 27.1213 HCA2 2119 0 0 0 0.09 2123 2121 H1A SLES 1 -28.1485 0.505606 27.9914 HCA2 2119 0 0 0 0.09 2124 2122 O1 SLES 1 -27.9174 0.335135 25.9531 OC30A 2119 2123 0 0 -0.34 2125 2123 C2 SLES 1 -27.7779 1.51373 25.132 CC32A 2122 2124 2125 2126 -0.01 2126 2124 H2A SLES 1 -28.8157 1.66417 24.7755 HCA2 2123 0 0 0 0.09 2127 2125 H2B SLES 1 -27.5385 2.30114 25.8817 HCA2 2123 0 0 0 0.09 2128 2126 C1 SLES 1 -26.7928 1.62155 23.9257 CC32A 2123 2127 2128 2129 -0.01 2129 2127 H1B SLES 1 -27.3069 1.30489 22.9921 HCA2 2126 0 0 0 0.09 2130 2128 H1A SLES 1 -26.4674 2.67502 23.812 HCA2 2126 0 0 0 0.09 2131 2129 O1 SLES 1 -25.5648 0.832062 23.8183 OC30A 2126 2130 0 0 -0.34 2132 2130 C1 SLES 1 -24.4702 1.4802 23.0728 CTL2 2129 2131 2132 2133 -0.18 2133 2131 H11 SLES 1 -24.8943 2.37601 22.5842 HAL2 2130 0 0 0 0.09 2134 2132 H12 SLES 1 -23.8074 1.80675 23.9007 HAL2 2130 0 0 0 0.09 2135 2133 C2 SLES 1 -23.6397 0.644977 22.0197 CTL2 2130 2134 2135 2136 -0.18 2136 2134 H21 SLES 1 -24.0575 -0.384972 21.9603 HAL2 2133 0 0 0 0.09 2137 2135 H22 SLES 1 -22.5868 0.567802 22.369 HAL2 2133 0 0 0 0.09 2138 2136 C3 SLES 1 -23.6621 1.30478 20.556 CTL2 2133 2137 2138 2139 -0.18 2139 2137 H31 SLES 1 -24.3592 0.726456 19.9095 HAL2 2136 0 0 0 0.09 2140 2138 H32 SLES 1 -24.0494 2.34034 20.6323 HAL2 2136 0 0 0 0.09 2141 2139 C4 SLES 1 -22.2337 1.33913 19.8697 CTL2 2136 2140 2141 2142 -0.18 2142 2140 H41 SLES 1 -22.1736 0.519903 19.1231 HAL2 2139 0 0 0 0.09 2143 2141 H42 SLES 1 -21.454 1.15764 20.6406 HAL2 2139 0 0 0 0.09 2144 2142 C5 SLES 1 -21.9332 2.72853 19.1458 CTL2 2139 2143 2144 2145 -0.18 2145 2143 H51 SLES 1 -22.8921 3.26882 18.9845 HAL2 2142 0 0 0 0.09 2146 2144 H52 SLES 1 -21.2958 3.35402 19.8118 HAL2 2142 0 0 0 0.09 2147 2145 C6 SLES 1 -21.2073 2.55352 17.7588 CTL2 2142 2146 2147 2148 -0.18 2148 2146 H61 SLES 1 -21.932 2.14543 17.019 HAL2 2145 0 0 0 0.09 2149 2147 H62 SLES 1 -20.8735 3.55375 17.3961 HAL2 2145 0 0 0 0.09 2150 2148 C7 SLES 1 -19.9709 1.60308 17.8382 CTL2 2145 2149 2150 2151 -0.18 2151 2149 H71 SLES 1 -20.3213 0.54792 17.7981 HAL2 2148 0 0 0 0.09 2152 2150 H72 SLES 1 -19.4555 1.75708 18.8123 HAL2 2148 0 0 0 0.09 2153 2151 C8 SLES 1 -18.9601 1.8416 16.6889 CTL2 2148 2152 2153 2154 -0.18 2154 2152 H81 SLES 1 -19.5145 1.91259 15.7251 HAL2 2151 0 0 0 0.09 2155 2153 H82 SLES 1 -18.4388 2.81122 16.8583 HAL2 2151 0 0 0 0.09 2156 2154 C9 SLES 1 -17.9057 0.711317 16.5842 CTL2 2151 2155 2156 2157 -0.18 2157 2155 H91 SLES 1 -18.4291 -0.261755 16.4445 HAL2 2154 0 0 0 0.09 2158 2156 H92 SLES 1 -17.3333 0.659598 17.5377 HAL2 2154 0 0 0 0.09 2159 2157 C10 SLES 1 -16.9174 0.924766 15.4133 CTL2 2154 2158 2159 2160 -0.18 2160 2158 H10 SLES 1 -17.4875 0.95318 14.4568 HAL2 2157 0 0 0 0.09 2161 2159 H10 SLES 1 -16.4097 1.90769 15.5404 HAL2 2157 0 0 0 0.09 2162 2160 C11 SLES 1 -15.8441 -0.19292 15.3302 CTL2 2157 2161 2162 2163 -0.18 2163 2161 H11 SLES 1 -16.3565 -1.17303 15.1962 HAL2 2160 0 0 0 0.09 2164 2162 H11 SLES 1 -15.2888 -0.229355 16.2953 HAL2 2160 0 0 0 0.09 2165 2163 C12 SLES 1 -14.8274 0.00142964 14.1757 CTL3 2160 2164 2165 2166 -0.27 2166 2164 H12 SLES 1 -14.8587 -0.868066 13.4826 HAL3 2163 0 0 0 0.09 2167 2165 H12 SLES 1 -13.7956 0.0946965 14.5808 HAL3 2163 0 0 0 0.09 2168 2166 H12 SLES 1 -15.0666 0.922093 13.6001 HAL3 2163 0 0 0 0.09 2169 2167 NA SLES 1 -29.3247 12.0882 30.7574 NA 0 0 0 0 1 2170 2168 S SLES 1 -29.3479 14.2377 27.8029 SL 2169 2170 2171 2172 1.33 2171 2169 OS1 SLES 1 -28.2825 12.9666 28.0404 OSL 2168 2173 0 0 -0.28 2172 2170 OS2 SLES 1 -30.6796 13.6727 27.8724 O2L 2168 0 0 0 -0.65 2173 2171 OS3 SLES 1 -29.1413 15.1486 28.9092 O2L 2168 0 0 0 -0.65 2174 2172 OS4 SLES 1 -29.1741 14.9423 26.5428 O2L 2168 0 0 0 -0.65 2175 2173 C2 SLES 1 -27.5018 12.7083 26.7978 CC32A 2169 2174 2175 2176 -0.11 2176 2174 H2A SLES 1 -28.1909 12.5262 25.9265 HCA2 2173 0 0 0 0.09 2177 2175 H2B SLES 1 -26.8691 13.6128 26.579 HCA2 2173 0 0 0 0.09 2178 2176 C1 SLES 1 -26.5611 11.4308 27.0188 CC32A 2173 2177 2178 2179 -0.01 2179 2177 H1B SLES 1 -27.178 10.5538 27.3223 HCA2 2176 0 0 0 0.09 2180 2178 H1A SLES 1 -25.817 11.6417 27.8219 HCA2 2176 0 0 0 0.09 2181 2179 O1 SLES 1 -25.7543 10.9019 25.9021 OC30A 2176 2180 0 0 -0.34 2182 2180 C2 SLES 1 -25.5407 11.7884 24.7836 CC32A 2179 2181 2182 2183 -0.01 2183 2181 H2A SLES 1 -26.5775 11.9707 24.4392 HCA2 2180 0 0 0 0.09 2184 2182 H2B SLES 1 -25.1596 12.7103 25.2778 HCA2 2180 0 0 0 0.09 2185 2183 C1 SLES 1 -24.6392 11.44 23.5575 CC32A 2180 2184 2185 2186 -0.01 2186 2184 H1B SLES 1 -25.252 10.9537 22.7676 HCA2 2183 0 0 0 0.09 2187 2185 H1A SLES 1 -24.2047 12.3729 23.1459 HCA2 2183 0 0 0 0.09 2188 2186 O1 SLES 1 -23.5203 10.4985 23.6249 OC30A 2183 2187 0 0 -0.34 2189 2187 C1 SLES 1 -22.4154 10.7753 22.6887 CTL2 2186 2188 2189 2190 -0.18 2190 2188 H11 SLES 1 -22.7686 11.5542 21.9888 HAL2 2187 0 0 0 0.09 2191 2189 H12 SLES 1 -21.6618 11.2235 23.3688 HAL2 2187 0 0 0 0.09 2192 2190 C2 SLES 1 -21.7638 9.58785 21.8754 CTL2 2187 2191 2192 2193 -0.18 2193 2191 H21 SLES 1 -22.2995 8.64285 22.1178 HAL2 2190 0 0 0 0.09 2194 2192 H22 SLES 1 -20.7041 9.4716 22.192 HAL2 2190 0 0 0 0.09 2195 2193 C3 SLES 1 -21.816 9.82761 20.2885 CTL2 2190 2194 2195 2196 -0.18 2196 2194 H31 SLES 1 -22.6193 9.19231 19.8534 HAL2 2193 0 0 0 0.09 2197 2195 H32 SLES 1 -22.076 10.8867 20.0915 HAL2 2193 0 0 0 0.09 2198 2196 C4 SLES 1 -20.4462 9.49123 19.5654 CTL2 2193 2197 2198 2199 -0.18 2199 2197 H41 SLES 1 -20.534 8.50104 19.0715 HAL2 2196 0 0 0 0.09 2200 2198 H42 SLES 1 -19.6389 9.42396 20.3261 HAL2 2196 0 0 0 0.09 2201 2199 C5 SLES 1 -20.042 10.5842 18.4761 CTL2 2196 2200 2201 2202 -0.18 2202 2200 H51 SLES 1 -20.942 11.1808 18.2089 HAL2 2199 0 0 0 0.09 2203 2201 H52 SLES 1 -19.2911 11.2776 18.9193 HAL2 2199 0 0 0 0.09 2204 2202 C6 SLES 1 -19.4426 9.95085 17.1642 CTL2 2199 2203 2204 2205 -0.18 2205 2203 H61 SLES 1 -20.2606 9.45654 16.5935 HAL2 2202 0 0 0 0.09 2206 2204 H62 SLES 1 -19.0238 10.765 16.5277 HAL2 2202 0 0 0 0.09 2207 2205 C7 SLES 1 -18.3203 8.90483 17.4551 CTL2 2202 2206 2207 2208 -0.18 2208 2206 H71 SLES 1 -18.7909 7.93222 17.7204 HAL2 2205 0 0 0 0.09 2209 2207 H72 SLES 1 -17.7219 9.24658 18.3287 HAL2 2205 0 0 0 0.09 2210 2208 C8 SLES 1 -17.3743 8.69309 16.2469 CTL2 2205 2209 2210 2211 -0.18 2211 2209 H81 SLES 1 -17.985 8.57391 15.3226 HAL2 2208 0 0 0 0.09 2212 2210 H82 SLES 1 -16.7348 9.5966 16.1227 HAL2 2208 0 0 0 0.09 2213 2211 C9 SLES 1 -16.4661 7.44953 16.4173 CTL2 2208 2212 2213 2214 -0.18 2214 2212 H91 SLES 1 -17.1058 6.55097 16.571 HAL2 2211 0 0 0 0.09 2215 2213 H92 SLES 1 -15.8361 7.58202 17.3256 HAL2 2211 0 0 0 0.09 2216 2214 C10 SLES 1 -15.5468 7.21097 15.196 CTL2 2211 2215 2216 2217 -0.18 2217 2215 H10 SLES 1 -16.1774 7.05515 14.2911 HAL2 2214 0 0 0 0.09 2218 2216 H10 SLES 1 -14.9224 8.11763 15.0282 HAL2 2214 0 0 0 0.09 2219 2217 C11 SLES 1 -14.6169 5.98283 15.3831 CTL2 2214 2218 2219 2220 -0.18 2220 2218 H11 SLES 1 -15.2462 5.07763 15.5437 HAL2 2217 0 0 0 0.09 2221 2219 H11 SLES 1 -14.0014 6.1352 16.299 HAL2 2217 0 0 0 0.09 2222 2220 C12 SLES 1 -13.6705 5.72675 14.1818 CTL3 2217 2221 2222 2223 -0.27 2223 2221 H12 SLES 1 -13.8507 4.71478 13.7566 HAL3 2220 0 0 0 0.09 2224 2222 H12 SLES 1 -12.6084 5.79095 14.506 HAL3 2220 0 0 0 0.09 2225 2223 H12 SLES 1 -13.8438 6.48203 13.3845 HAL3 2220 0 0 0 0.09 2226 2224 NA SLES 1 -22.3275 22.7195 30.6168 NA 0 0 0 0 1 2227 2225 S SLES 1 -22.6146 24.1344 27.2603 SL 2226 2227 2228 2229 1.33 2228 2226 OS1 SLES 1 -21.6657 22.8099 27.6514 OSL 2225 2230 0 0 -0.28 2229 2227 OS2 SLES 1 -23.9684 23.7952 27.647 O2L 2225 0 0 0 -0.65 2230 2228 OS3 SLES 1 -22.1305 25.2307 28.073 O2L 2225 0 0 0 -0.65 2231 2229 OS4 SLES 1 -22.5794 24.507 25.8552 O2L 2225 0 0 0 -0.65 2232 2230 C2 SLES 1 -21.1352 22.1716 26.4139 CC32A 2226 2231 2232 2233 -0.11 2233 2231 H2A SLES 1 -21.9755 21.8994 25.716 HCA2 2230 0 0 0 0.09 2234 2232 H2B SLES 1 -20.4554 22.9044 25.8972 HCA2 2230 0 0 0 0.09 2235 2233 C1 SLES 1 -20.3122 20.855 26.8078 CC32A 2230 2234 2235 2236 -0.01 2236 2234 H1B SLES 1 -20.9596 20.1654 27.3969 HCA2 2233 0 0 0 0.09 2237 2235 H1A SLES 1 -19.4264 21.1319 27.4257 HCA2 2233 0 0 0 0.09 2238 2236 O1 SLES 1 -19.7639 19.9801 25.7533 OC30A 2233 2237 0 0 -0.34 2239 2237 C2 SLES 1 -19.6468 20.5543 24.4345 CC32A 2236 2238 2239 2240 -0.01 2240 2238 H2A SLES 1 -20.7012 20.8009 24.2016 HCA2 2237 0 0 0 0.09 2241 2239 H2B SLES 1 -19.0927 21.4993 24.6328 HCA2 2237 0 0 0 0.09 2242 2240 C1 SLES 1 -19.0048 19.8154 23.2183 CC32A 2237 2241 2242 2243 -0.01 2243 2241 H1B SLES 1 -19.789 19.2572 22.6619 HCA2 2240 0 0 0 0.09 2244 2242 H1A SLES 1 -18.5483 20.5608 22.5367 HCA2 2240 0 0 0 0.09 2245 2243 O1 SLES 1 -17.9969 18.7631 23.3585 OC30A 2240 2244 0 0 -0.34 2246 2244 C1 SLES 1 -17.0406 18.6629 22.2407 CTL2 2243 2245 2246 2247 -0.18 2247 2245 H11 SLES 1 -17.4208 19.3077 21.4277 HAL2 2244 0 0 0 0.09 2248 2246 H12 SLES 1 -16.1407 19.1396 22.6815 HAL2 2244 0 0 0 0.09 2249 2247 C2 SLES 1 -16.6639 17.2431 21.659 CTL2 2244 2248 2249 2250 -0.18 2250 2248 H21 SLES 1 -17.2491 16.4626 22.195 HAL2 2247 0 0 0 0.09 2251 2249 H22 SLES 1 -15.5847 17.0506 21.8461 HAL2 2247 0 0 0 0.09 2252 2250 C3 SLES 1 -16.9543 17.1267 20.0841 CTL2 2247 2251 2252 2253 -0.18 2253 2251 H31 SLES 1 -17.8819 16.5315 19.9307 HAL2 2250 0 0 0 0.09 2254 2252 H32 SLES 1 -17.1295 18.1409 19.673 HAL2 2250 0 0 0 0.09 2255 2253 C4 SLES 1 -15.7681 16.4452 19.2837 CTL2 2250 2254 2255 2256 -0.18 2256 2254 H41 SLES 1 -16.0418 15.3925 19.0621 HAL2 2253 0 0 0 0.09 2257 2255 H42 SLES 1 -14.8569 16.4353 19.9199 HAL2 2253 0 0 0 0.09 2258 2256 C5 SLES 1 -15.4373 17.1977 17.9165 CTL2 2253 2257 2258 2259 -0.18 2259 2257 H51 SLES 1 -16.3007 17.8416 17.6384 HAL2 2256 0 0 0 0.09 2260 2258 H52 SLES 1 -14.5536 17.8581 18.0707 HAL2 2256 0 0 0 0.09 2261 2259 C6 SLES 1 -15.1361 16.208 16.7286 CTL2 2256 2260 2261 2262 -0.18 2262 2260 H61 SLES 1 -16.0856 15.7205 16.4129 HAL2 2259 0 0 0 0.09 2263 2261 H62 SLES 1 -14.7451 16.7908 15.8621 HAL2 2259 0 0 0 0.09 2264 2262 C7 SLES 1 -14.0987 15.1044 17.1083 CTL2 2259 2263 2264 2265 -0.18 2265 2263 H71 SLES 1 -14.6191 14.2931 17.664 HAL2 2262 0 0 0 0.09 2266 2264 H72 SLES 1 -13.3299 15.5439 17.7822 HAL2 2262 0 0 0 0.09 2267 2265 C8 SLES 1 -13.3954 14.495 15.8699 CTL2 2262 2266 2267 2268 -0.18 2268 2266 H81 SLES 1 -14.1609 14.2605 15.0951 HAL2 2265 0 0 0 0.09 2269 2267 H82 SLES 1 -12.6933 15.2471 15.4434 HAL2 2265 0 0 0 0.09 2270 2268 C9 SLES 1 -12.609 13.2045 16.2113 CTL2 2265 2269 2270 2271 -0.18 2271 2269 H91 SLES 1 -13.3061 12.4638 16.665 HAL2 2268 0 0 0 0.09 2272 2270 H92 SLES 1 -11.8259 13.4456 16.9651 HAL2 2268 0 0 0 0.09 2273 2271 C10 SLES 1 -11.9371 12.5701 14.9706 CTL2 2268 2272 2273 2274 -0.18 2274 2272 H10 SLES 1 -12.7227 12.3075 14.226 HAL2 2271 0 0 0 0.09 2275 2273 H10 SLES 1 -11.2566 13.3177 14.5035 HAL2 2271 0 0 0 0.09 2276 2274 C11 SLES 1 -11.125 11.2952 15.3213 CTL2 2271 2275 2276 2277 -0.18 2277 2275 H11 SLES 1 -11.8113 10.5481 15.7818 HAL2 2274 0 0 0 0.09 2278 2276 H11 SLES 1 -10.3526 11.5591 16.0794 HAL2 2274 0 0 0 0.09 2279 2277 C12 SLES 1 -10.4249 10.6445 14.1002 CTL3 2274 2278 2279 2280 -0.27 2280 2278 H12 SLES 1 -10.7802 9.59942 13.9626 HAL3 2277 0 0 0 0.09 2281 2279 H12 SLES 1 -9.32287 10.6274 14.2504 HAL3 2277 0 0 0 0.09 2282 2280 H12 SLES 1 -10.6475 11.2191 13.1748 HAL3 2277 0 0 0 0.09 2283 2281 NA SLES 1 -11.7946 30.0011 30.2143 NA 0 0 0 0 1 2284 2282 S SLES 1 -12.718 30.9323 26.804 SL 2283 2284 2285 2286 1.33 2285 2283 OS1 SLES 1 -11.8526 29.5557 27.208 OSL 2282 2287 0 0 -0.28 2286 2284 OS2 SLES 1 -13.9693 30.8555 27.5292 O2L 2282 0 0 0 -0.65 2287 2285 OS3 SLES 1 -11.9385 32.0538 27.2849 O2L 2282 0 0 0 -0.65 2288 2286 OS4 SLES 1 -12.9785 31.0846 25.3815 O2L 2282 0 0 0 -0.65 2289 2287 C2 SLES 1 -11.7045 28.6713 26.0179 CC32A 2283 2288 2289 2290 -0.11 2290 2288 H2A SLES 1 -12.7112 28.425 25.5785 HCA2 2287 0 0 0 0.09 2291 2289 H2B SLES 1 -11.092 29.2127 25.2446 HCA2 2287 0 0 0 0.09 2292 2290 C1 SLES 1 -10.9589 27.3212 26.4505 CC32A 2287 2291 2292 2293 -0.01 2293 2291 H1B SLES 1 -11.5181 26.828 27.2787 HCA2 2290 0 0 0 0.09 2294 2292 H1A SLES 1 -9.92677 27.5536 26.8023 HCA2 2290 0 0 0 0.09 2295 2293 O1 SLES 1 -10.7757 26.2298 25.4742 OC30A 2290 2294 0 0 -0.34 2296 2294 C2 SLES 1 -10.9147 26.5799 24.0811 CC32A 2293 2295 2296 2297 -0.01 2297 2295 H2A SLES 1 -11.9611 26.941 24.0427 HCA2 2294 0 0 0 0.09 2298 2296 H2B SLES 1 -10.2304 27.4526 23.9838 HCA2 2294 0 0 0 0.09 2299 2297 C1 SLES 1 -10.6648 25.584 22.9051 CC32A 2294 2298 2299 2300 -0.01 2300 2298 H1B SLES 1 -11.6147 25.0706 22.64 HCA2 2297 0 0 0 0.09 2301 2299 H1A SLES 1 -10.3059 26.146 22.0196 HCA2 2297 0 0 0 0.09 2302 2300 O1 SLES 1 -9.77264 24.428 23.0072 OC30A 2297 2301 0 0 -0.34 2303 2301 C1 SLES 1 -9.12681 24.0254 21.7443 CTL2 2300 2302 2303 2304 -0.18 2304 2302 H11 SLES 1 -9.61756 24.5919 20.9322 HAL2 2301 0 0 0 0.09 2305 2303 H12 SLES 1 -8.10166 24.4252 21.8877 HAL2 2301 0 0 0 0.09 2306 2304 C2 SLES 1 -9.05556 22.4957 21.3556 CTL2 2301 2305 2306 2307 -0.18 2307 2305 H21 SLES 1 -9.57723 21.8968 22.1353 HAL2 2304 0 0 0 0.09 2308 2306 H22 SLES 1 -7.99031 22.1773 21.335 HAL2 2304 0 0 0 0.09 2309 2307 C3 SLES 1 -9.72371 22.1922 19.9273 CTL2 2304 2308 2309 2310 -0.18 2310 2308 H31 SLES 1 -10.72 21.7229 20.0869 HAL2 2307 0 0 0 0.09 2311 2309 H32 SLES 1 -9.88082 23.1493 19.3912 HAL2 2307 0 0 0 0.09 2312 2310 C4 SLES 1 -8.84328 21.2341 19.0222 CTL2 2307 2311 2312 2313 -0.18 2313 2311 H41 SLES 1 -9.27429 20.2118 19.0554 HAL2 2310 0 0 0 0.09 2314 2312 H42 SLES 1 -7.81339 21.1851 19.4369 HAL2 2310 0 0 0 0.09 2315 2313 C5 SLES 1 -8.76825 21.7204 17.5047 CTL2 2310 2314 2315 2316 -0.18 2316 2314 H51 SLES 1 -9.59809 22.4354 17.3111 HAL2 2313 0 0 0 0.09 2317 2315 H52 SLES 1 -7.80706 22.26 17.3439 HAL2 2313 0 0 0 0.09 2318 2316 C6 SLES 1 -8.86772 20.5331 16.4742 CTL2 2313 2317 2318 2319 -0.18 2319 2317 H61 SLES 1 -9.91223 20.1485 16.4636 HAL2 2316 0 0 0 0.09 2320 2318 H62 SLES 1 -8.63368 20.9184 15.4543 HAL2 2316 0 0 0 0.09 2321 2319 C7 SLES 1 -7.89558 19.3579 16.809 CTL2 2316 2320 2321 2322 -0.18 2322 2320 H71 SLES 1 -8.35333 18.7223 17.5991 HAL2 2319 0 0 0 0.09 2323 2321 H72 SLES 1 -6.94544 19.7748 17.2111 HAL2 2319 0 0 0 0.09 2324 2322 C8 SLES 1 -7.57787 18.4764 15.5754 CTL2 2319 2323 2324 2325 -0.18 2325 2323 H81 SLES 1 -8.52669 18.2447 15.0393 HAL2 2322 0 0 0 0.09 2326 2324 H82 SLES 1 -6.92031 19.0467 14.8804 HAL2 2322 0 0 0 0.09 2327 2325 C9 SLES 1 -6.87728 17.1495 15.961 CTL2 2322 2326 2327 2328 -0.18 2328 2326 H91 SLES 1 -7.52217 16.5937 16.679 HAL2 2325 0 0 0 0.09 2329 2327 H92 SLES 1 -5.91578 17.3819 16.4718 HAL2 2325 0 0 0 0.09 2330 2328 C10 SLES 1 -6.59303 16.2478 14.7364 CTL2 2325 2329 2330 2331 -0.18 2331 2329 H10 SLES 1 -7.55717 15.9959 14.2386 HAL2 2328 0 0 0 0.09 2332 2330 H10 SLES 1 -5.96659 16.8108 14.0079 HAL2 2328 0 0 0 0.09 2333 2331 C11 SLES 1 -5.86381 14.9336 15.1226 CTL2 2328 2332 2333 2334 -0.18 2334 2332 H11 SLES 1 -6.49736 14.371 15.8459 HAL2 2331 0 0 0 0.09 2335 2333 H11 SLES 1 -4.90913 15.1907 15.6359 HAL2 2331 0 0 0 0.09 2336 2334 C12 SLES 1 -5.54952 14.0148 13.9136 CTL3 2331 2335 2336 2337 -0.27 2337 2335 H12 SLES 1 -6.03836 13.0241 14.0437 HAL3 2334 0 0 0 0.09 2338 2336 H12 SLES 1 -4.45197 13.8591 13.8215 HAL3 2334 0 0 0 0.09 2339 2337 H12 SLES 1 -5.92261 14.473 12.9718 HAL3 2334 0 0 0 0.09 2340 2338 NA SLES 1 0.723785 32.8436 29.5441 NA 0 0 0 0 1 2341 2339 S SLES 1 -0.987933 33.7208 26.4375 SL 2340 2341 2342 2343 1.33 2342 2340 OS1 SLES 1 -0.216712 32.2591 26.7132 OSL 2339 2344 0 0 -0.28 2343 2341 OS2 SLES 1 -1.98958 33.8561 27.4747 O2L 2339 0 0 0 -0.65 2344 2342 OS3 SLES 1 0.0232839 34.7454 26.5931 O2L 2339 0 0 0 -0.65 2345 2343 OS4 SLES 1 -1.61142 33.8358 25.1289 O2L 2339 0 0 0 -0.65 2346 2344 C2 SLES 1 -0.511219 31.3037 25.6084 CC32A 2340 2345 2346 2347 -0.11 2347 2345 H2A SLES 1 -1.6222 31.1783 25.4774 HCA2 2344 0 0 0 0.09 2348 2346 H2B SLES 1 -0.0760339 31.7144 24.6554 HCA2 2344 0 0 0 0.09 2349 2347 C1 SLES 1 0.156806 29.8864 25.9414 CC32A 2344 2348 2349 2350 -0.01 2350 2348 H1B SLES 1 -0.206555 29.5186 26.9285 HCA2 2347 0 0 0 0.09 2351 2349 H1A SLES 1 1.26617 29.99 25.9828 HCA2 2347 0 0 0 0.09 2352 2350 O1 SLES 1 -0.06993 28.7321 25.0502 OC30A 2347 2351 0 0 -0.34 2353 2351 C2 SLES 1 -0.545676 29.0272 23.7201 CC32A 2350 2352 2353 2354 -0.01 2354 2352 H2A SLES 1 -1.51051 29.5283 23.9319 HCA2 2351 0 0 0 0.09 2355 2353 H2B SLES 1 0.184905 29.7898 23.3679 HCA2 2351 0 0 0 0.09 2356 2354 C1 SLES 1 -0.752646 27.9479 22.6112 CC32A 2351 2355 2356 2357 -0.01 2357 2355 H1B SLES 1 -1.79336 27.5593 22.6555 HCA2 2354 0 0 0 0.09 2358 2356 H1A SLES 1 -0.58774 28.4088 21.6167 HCA2 2354 0 0 0 0.09 2359 2357 O1 SLES 1 -0.0129006 26.6854 22.571 OC30A 2354 2358 0 0 -0.34 2360 2358 C1 SLES 1 0.205054 26.1333 21.2213 CTL2 2357 2359 2360 2361 -0.18 2361 2359 H11 SLES 1 -0.419293 26.7208 20.5241 HAL2 2358 0 0 0 0.09 2362 2360 H12 SLES 1 1.27023 26.3928 21.05 HAL2 2358 0 0 0 0.09 2363 2361 C2 SLES 1 -0.0186622 24.5909 20.9621 CTL2 2358 2362 2363 2364 -0.18 2364 2362 H21 SLES 1 -0.372424 24.1109 21.9019 HAL2 2361 0 0 0 0.09 2365 2363 H22 SLES 1 0.952932 24.1263 20.685 HAL2 2361 0 0 0 0.09 2366 2364 C3 SLES 1 -1.0873 24.3117 19.7965 CTL2 2361 2365 2366 2367 -0.18 2367 2365 H31 SLES 1 -2.0495 23.9947 20.2569 HAL2 2364 0 0 0 0.09 2368 2366 H32 SLES 1 -1.2702 25.253 19.2409 HAL2 2364 0 0 0 0.09 2369 2367 C4 SLES 1 -0.613576 23.1956 18.7757 CTL2 2364 2368 2369 2370 -0.18 2370 2368 H41 SLES 1 -1.13839 22.2463 19.0115 HAL2 2367 0 0 0 0.09 2371 2369 H42 SLES 1 0.477133 23.0243 18.9024 HAL2 2367 0 0 0 0.09 2372 2370 C5 SLES 1 -0.903288 23.5891 17.2571 CTL2 2367 2371 2372 2373 -0.18 2373 2371 H51 SLES 1 -1.66197 24.4023 17.2312 HAL2 2370 0 0 0 0.09 2374 2372 H52 SLES 1 0.0335777 23.9805 16.7988 HAL2 2370 0 0 0 0.09 2375 2373 C6 SLES 1 -1.42609 22.3768 16.3979 CTL2 2370 2374 2375 2376 -0.18 2376 2374 H61 SLES 1 -2.47117 22.1416 16.7005 HAL2 2373 0 0 0 0.09 2377 2375 H62 SLES 1 -1.43871 22.6735 15.3231 HAL2 2373 0 0 0 0.09 2378 2376 C7 SLES 1 -0.548082 21.0959 16.5612 CTL2 2373 2377 2378 2379 -0.18 2379 2377 H71 SLES 1 -0.842459 20.5712 17.497 HAL2 2376 0 0 0 0.09 2380 2378 H72 SLES 1 0.519222 21.396 16.6568 HAL2 2376 0 0 0 0.09 2381 2379 C8 SLES 1 -0.692491 20.1174 15.369 CTL2 2376 2380 2381 2382 -0.18 2382 2380 H81 SLES 1 -1.77331 19.9935 15.1284 HAL2 2379 0 0 0 0.09 2383 2381 H82 SLES 1 -0.189205 20.5544 14.4766 HAL2 2379 0 0 0 0.09 2384 2382 C9 SLES 1 -0.0776105 18.7269 15.6669 CTL2 2379 2383 2384 2385 -0.18 2385 2383 H91 SLES 1 -0.560729 18.3036 16.5767 HAL2 2382 0 0 0 0.09 2386 2384 H92 SLES 1 1.00839 18.8485 15.8798 HAL2 2382 0 0 0 0.09 2387 2385 C10 SLES 1 -0.25387 17.7336 14.494 CTL2 2382 2386 2387 2388 -0.18 2388 2386 H10 SLES 1 -1.3411 17.5938 14.2961 HAL2 2385 0 0 0 0.09 2389 2387 H10 SLES 1 0.209623 18.166 13.5785 HAL2 2385 0 0 0 0.09 2390 2388 C11 SLES 1 0.390029 16.3518 14.7837 CTL2 2385 2389 2390 2391 -0.18 2391 2389 H11 SLES 1 -0.0816287 15.9204 15.6962 HAL2 2388 0 0 0 0.09 2392 2390 H11 SLES 1 1.47315 16.4987 14.9986 HAL2 2388 0 0 0 0.09 2393 2391 C12 SLES 1 0.244666 15.3381 13.6193 CTL3 2388 2392 2393 2394 -0.27 2394 2392 H12 SLES 1 -0.304648 14.4332 13.9609 HAL3 2391 0 0 0 0.09 2395 2393 H12 SLES 1 1.24687 15.0263 13.2509 HAL3 2391 0 0 0 0.09 2396 2394 H12 SLES 1 -0.316416 15.7956 12.7755 HAL3 2391 0 0 0 0.09 2397 2395 NA SLES 1 13.3954 30.8641 28.6365 NA 0 0 0 0 1 2398 2396 S SLES 1 11.0272 32.1168 26.152 SL 2397 2398 2399 2400 1.33 2399 2397 OS1 SLES 1 11.636 30.5559 26.177 OSL 2396 2401 0 0 -0.28 2400 2398 OS2 SLES 1 10.3809 32.3235 27.4314 O2L 2396 0 0 0 -0.65 2401 2399 OS3 SLES 1 12.1729 32.994 26.0318 O2L 2396 0 0 0 -0.65 2402 2400 OS4 SLES 1 10.0874 32.3799 25.074 O2L 2396 0 0 0 -0.65 2403 2401 C2 SLES 1 10.9183 29.706 25.1856 CC32A 2397 2402 2403 2404 -0.11 2404 2402 H2A SLES 1 9.80824 29.7308 25.3712 HCA2 2401 0 0 0 0.09 2405 2403 H2B SLES 1 11.1244 30.1079 24.155 HCA2 2401 0 0 0 0.09 2406 2404 C1 SLES 1 11.4508 28.1993 25.2953 CC32A 2401 2405 2406 2407 -0.01 2407 2405 H1B SLES 1 11.3283 27.829 26.3391 HCA2 2404 0 0 0 0.09 2408 2406 H1A SLES 1 12.5315 28.158 25.0239 HCA2 2404 0 0 0 0.09 2409 2407 O1 SLES 1 10.8294 27.1325 24.4868 OC30A 2404 2408 0 0 -0.34 2410 2408 C2 SLES 1 10.0489 27.5563 23.3493 CC32A 2407 2409 2410 2411 -0.01 2411 2409 H2A SLES 1 9.25908 28.1646 23.832 HCA2 2408 0 0 0 0.09 2412 2410 H2B SLES 1 10.7509 28.2369 22.8171 HCA2 2408 0 0 0 0.09 2413 2411 C1 SLES 1 9.39629 26.5728 22.3275 CC32A 2408 2412 2413 2414 -0.01 2414 2412 H1B SLES 1 8.36549 26.3186 22.6574 HCA2 2411 0 0 0 0.09 2415 2413 H1A SLES 1 9.34083 27.0611 21.3339 HCA2 2411 0 0 0 0.09 2416 2414 O1 SLES 1 9.91491 25.2301 22.0613 OC30A 2411 2415 0 0 -0.34 2417 2415 C1 SLES 1 9.6721 24.7272 20.6967 CTL2 2414 2416 2417 2418 -0.18 2418 2416 H11 SLES 1 8.96594 25.4259 20.2126 HAL2 2415 0 0 0 0.09 2419 2417 H12 SLES 1 10.6732 24.8572 20.2361 HAL2 2415 0 0 0 0.09 2420 2418 C2 SLES 1 9.17535 23.242 20.4877 CTL2 2415 2419 2420 2421 -0.18 2421 2419 H21 SLES 1 9.03342 22.7618 21.4817 HAL2 2418 0 0 0 0.09 2422 2420 H22 SLES 1 9.95855 22.6725 19.941 HAL2 2418 0 0 0 0.09 2423 2421 C3 SLES 1 7.79767 23.164 19.6665 CTL2 2418 2422 2423 2424 -0.18 2424 2422 H31 SLES 1 6.96671 22.9484 20.3745 HAL2 2421 0 0 0 0.09 2425 2423 H32 SLES 1 7.59921 24.1491 19.1993 HAL2 2421 0 0 0 0.09 2426 2424 C4 SLES 1 7.81164 22.0524 18.5367 CTL2 2421 2425 2426 2427 -0.18 2427 2425 H41 SLES 1 7.2474 21.1668 18.8965 HAL2 2424 0 0 0 0.09 2428 2426 H42 SLES 1 8.86039 21.7367 18.3482 HAL2 2424 0 0 0 0.09 2429 2427 C5 SLES 1 7.16935 22.5599 17.1675 CTL2 2424 2428 2429 2430 -0.18 2430 2428 H51 SLES 1 6.55256 23.4635 17.3687 HAL2 2427 0 0 0 0.09 2431 2429 H52 SLES 1 7.98703 22.8522 16.4697 HAL2 2427 0 0 0 0.09 2432 2430 C6 SLES 1 6.26728 21.4717 16.4722 CTL2 2427 2431 2432 2433 -0.18 2433 2431 H61 SLES 1 5.32502 21.3562 17.0535 HAL2 2430 0 0 0 0.09 2434 2432 H62 SLES 1 5.99816 21.8243 15.4491 HAL2 2430 0 0 0 0.09 2435 2433 C7 SLES 1 6.97127 20.0822 16.362 CTL2 2430 2434 2435 2436 -0.18 2436 2434 H71 SLES 1 6.87857 19.5504 17.3348 HAL2 2433 0 0 0 0.09 2437 2435 H72 SLES 1 8.05396 20.238 16.1574 HAL2 2433 0 0 0 0.09 2438 2436 C8 SLES 1 6.36889 19.195 15.2441 CTL2 2433 2437 2438 2439 -0.18 2439 2437 H81 SLES 1 5.25739 19.2232 15.3161 HAL2 2436 0 0 0 0.09 2440 2438 H82 SLES 1 6.66021 19.611 14.2528 HAL2 2436 0 0 0 0.09 2441 2439 C9 SLES 1 6.84489 17.7235 15.3355 CTL2 2436 2440 2441 2442 -0.18 2442 2440 H91 SLES 1 6.57945 17.3176 16.3381 HAL2 2439 0 0 0 0.09 2443 2441 H92 SLES 1 7.95332 17.6938 15.2355 HAL2 2439 0 0 0 0.09 2444 2442 C10 SLES 1 6.21553 16.8247 14.2449 CTL2 2439 2443 2444 2445 -0.18 2445 2443 H10 SLES 1 5.10758 16.8357 14.3594 HAL2 2442 0 0 0 0.09 2446 2444 H10 SLES 1 6.46197 17.2424 13.2426 HAL2 2442 0 0 0 0.09 2447 2445 C11 SLES 1 6.71805 15.3585 14.3204 CTL2 2442 2446 2447 2448 -0.18 2448 2446 H11 SLES 1 6.46315 14.943 15.3222 HAL2 2445 0 0 0 0.09 2449 2447 H11 SLES 1 7.82779 15.3542 14.2236 HAL2 2445 0 0 0 0.09 2450 2448 C12 SLES 1 6.11762 14.435 13.229 CTL3 2445 2449 2450 2451 -0.27 2451 2449 H12 SLES 1 5.5655 13.5908 13.6978 HAL3 2448 0 0 0 0.09 2452 2450 H12 SLES 1 6.92563 14.0178 12.5884 HAL3 2448 0 0 0 0.09 2453 2451 H12 SLES 1 5.41312 15.0047 12.5846 HAL3 2448 0 0 0 0.09 2454 2452 NA SLES 1 24.4264 24.4182 27.5533 NA 0 0 0 0 1 2455 2453 S SLES 1 21.7498 26.3005 25.9276 SL 2454 2455 2456 2457 1.33 2456 2454 OS1 SLES 1 22.1016 24.6926 25.6143 OSL 2453 2458 0 0 -0.28 2457 2455 OS2 SLES 1 21.4692 26.3883 27.3457 O2L 2453 0 0 0 -0.65 2458 2456 OS3 SLES 1 22.9528 27.044 25.617 O2L 2453 0 0 0 -0.65 2459 2457 OS4 SLES 1 20.6298 26.8316 25.1673 O2L 2453 0 0 0 -0.65 2460 2458 C2 SLES 1 21.0458 24.0919 24.7513 CC32A 2454 2459 2460 2461 -0.11 2461 2459 H2A SLES 1 20.03 24.2198 25.2193 HCA2 2458 0 0 0 0.09 2462 2460 H2B SLES 1 21.0569 24.6164 23.7558 HCA2 2458 0 0 0 0.09 2463 2461 C1 SLES 1 21.3532 22.5334 24.5451 CC32A 2458 2462 2463 2464 -0.01 2464 2462 H1B SLES 1 21.4303 22.028 25.5352 HCA2 2461 0 0 0 0.09 2465 2463 H1A SLES 1 22.3176 22.4056 24.0004 HCA2 2461 0 0 0 0.09 2466 2464 O1 SLES 1 20.4006 21.681 23.8076 OC30A 2461 2465 0 0 -0.34 2467 2465 C2 SLES 1 19.4435 22.3598 22.9675 CC32A 2464 2466 2467 2468 -0.01 2468 2466 H2A SLES 1 18.895 22.9781 23.7049 HCA2 2465 0 0 0 0.09 2469 2467 H2B SLES 1 20.0923 23.0246 22.3538 HCA2 2465 0 0 0 0.09 2470 2468 C1 SLES 1 18.4225 21.6249 22.0431 CC32A 2465 2469 2470 2471 -0.01 2471 2469 H1B SLES 1 17.4749 21.4479 22.597 HCA2 2468 0 0 0 0.09 2472 2470 H1A SLES 1 18.2049 22.2596 21.1608 HCA2 2468 0 0 0 0.09 2473 2471 O1 SLES 1 18.6511 20.2854 21.4989 OC30A 2468 2472 0 0 -0.34 2474 2472 C1 SLES 1 18.0137 20.025 20.195 CTL2 2471 2473 2474 2475 -0.18 2475 2473 H11 SLES 1 17.3269 20.867 19.9941 HAL2 2472 0 0 0 0.09 2476 2474 H12 SLES 1 18.8825 20.1032 19.5092 HAL2 2472 0 0 0 0.09 2477 2475 C2 SLES 1 17.261 18.6573 19.952 CTL2 2472 2476 2477 2478 -0.18 2478 2476 H21 SLES 1 17.2908 18.0538 20.8867 HAL2 2475 0 0 0 0.09 2479 2477 H22 SLES 1 17.7937 18.0875 19.1595 HAL2 2475 0 0 0 0.09 2480 2478 C3 SLES 1 15.731 18.8669 19.512 CTL2 2475 2479 2480 2481 -0.18 2481 2479 H31 SLES 1 15.0718 18.6476 20.3812 HAL2 2478 0 0 0 0.09 2482 2480 H32 SLES 1 15.5786 19.9274 19.2288 HAL2 2478 0 0 0 0.09 2483 2481 C4 SLES 1 15.3035 17.9434 18.2968 CTL2 2478 2482 2483 2484 -0.18 2484 2482 H41 SLES 1 14.7142 17.087 18.6858 HAL2 2481 0 0 0 0.09 2485 2483 H42 SLES 1 16.2155 17.5376 17.8083 HAL2 2481 0 0 0 0.09 2486 2484 C5 SLES 1 14.436 18.7229 17.2084 CTL2 2481 2485 2486 2487 -0.18 2487 2485 H51 SLES 1 14.0307 19.6527 17.6651 HAL2 2484 0 0 0 0.09 2488 2486 H52 SLES 1 15.0967 19.0176 16.3612 HAL2 2484 0 0 0 0.09 2489 2487 C6 SLES 1 13.2383 17.8657 16.6496 CTL2 2484 2488 2489 2490 -0.18 2490 2488 H61 SLES 1 12.4572 17.7768 17.4376 HAL2 2487 0 0 0 0.09 2491 2489 H62 SLES 1 12.7882 18.397 15.7787 HAL2 2487 0 0 0 0.09 2492 2490 C7 SLES 1 13.6751 16.435 16.2016 CTL2 2487 2491 2492 2493 -0.18 2493 2491 H71 SLES 1 13.739 15.7782 17.0973 HAL2 2490 0 0 0 0.09 2494 2492 H72 SLES 1 14.6876 16.4904 15.7432 HAL2 2490 0 0 0 0.09 2495 2493 C8 SLES 1 12.6938 15.803 15.1832 CTL2 2490 2494 2495 2496 -0.18 2496 2494 H81 SLES 1 11.6498 15.9514 15.5431 HAL2 2493 0 0 0 0.09 2497 2495 H82 SLES 1 12.7981 16.3253 14.205 HAL2 2493 0 0 0 0.09 2498 2496 C9 SLES 1 12.9479 14.2885 14.9782 CTL2 2493 2497 2498 2499 -0.18 2499 2497 H91 SLES 1 12.8726 13.7712 15.9616 HAL2 2496 0 0 0 0.09 2500 2498 H92 SLES 1 13.9819 14.1431 14.592 HAL2 2496 0 0 0 0.09 2501 2499 C10 SLES 1 11.9455 13.6441 13.9915 CTL2 2496 2500 2501 2502 -0.18 2502 2500 H10 SLES 1 10.9125 13.769 14.3893 HAL2 2499 0 0 0 0.09 2503 2501 H10 SLES 1 12.0044 14.1752 13.0146 HAL2 2499 0 0 0 0.09 2504 2502 C11 SLES 1 12.222 12.1341 13.765 CTL2 2499 2503 2504 2505 -0.18 2505 2503 H11 SLES 1 12.1552 11.6064 14.7438 HAL2 2502 0 0 0 0.09 2506 2504 H11 SLES 1 13.262 12.0131 13.3844 HAL2 2502 0 0 0 0.09 2507 2505 C12 SLES 1 11.2434 11.4623 12.7672 CTL3 2502 2506 2507 2508 -0.27 2508 2506 H12 SLES 1 10.6982 10.6288 13.2625 HAL3 2505 0 0 0 0.09 2509 2507 H12 SLES 1 11.8005 11.0531 11.8957 HAL3 2505 0 0 0 0.09 2510 2508 H12 SLES 1 10.4999 12.2015 12.3971 HAL3 2505 0 0 0 0.09 2511 2509 NA SLES 1 32.3471 14.4891 26.3783 NA 0 0 0 0 1 2512 2510 S SLES 1 29.764 16.9924 25.7366 SL 2511 2512 2513 2514 1.33 2513 2511 OS1 SLES 1 29.7975 15.4675 25.0432 OSL 2510 2515 0 0 -0.28 2514 2512 OS2 SLES 1 29.7483 16.7888 27.1704 O2L 2510 0 0 0 -0.65 2515 2513 OS3 SLES 1 30.9984 17.6402 25.3449 O2L 2510 0 0 0 -0.65 2516 2514 OS4 SLES 1 28.6288 17.81 25.34 O2L 2510 0 0 0 -0.65 2517 2515 C2 SLES 1 28.5277 15.2065 24.3086 CC32A 2511 2516 2517 2518 -0.11 2518 2516 H2A SLES 1 27.6405 15.3436 24.9878 HCA2 2515 0 0 0 0.09 2519 2517 H2B SLES 1 28.4509 15.938 23.4569 HCA2 2515 0 0 0 0.09 2520 2518 C1 SLES 1 28.5441 13.7103 23.7368 CC32A 2515 2519 2520 2521 -0.01 2521 2519 H1B SLES 1 28.7088 12.9881 24.5693 HCA2 2518 0 0 0 0.09 2522 2520 H1A SLES 1 29.3682 13.5967 22.9944 HCA2 2518 0 0 0 0.09 2523 2521 O1 SLES 1 27.3563 13.1654 23.0512 OC30A 2518 2522 0 0 -0.34 2524 2522 C2 SLES 1 26.3892 14.1247 22.5748 CC32A 2521 2523 2524 2525 -0.01 2525 2523 H2A SLES 1 26.0804 14.6199 23.5162 HCA2 2522 0 0 0 0.09 2526 2524 H2B SLES 1 27.0202 14.8302 21.9886 HCA2 2522 0 0 0 0.09 2527 2525 C1 SLES 1 25.1214 13.7438 21.7473 CC32A 2522 2526 2527 2528 -0.01 2528 2526 H1B SLES 1 24.2669 13.5587 22.4341 HCA2 2525 0 0 0 0.09 2529 2527 H1A SLES 1 24.8591 14.5831 21.0725 HCA2 2525 0 0 0 0.09 2530 2528 O1 SLES 1 25.038 12.5452 20.9112 OC30A 2525 2529 0 0 -0.34 2531 2529 C1 SLES 1 24.1534 12.664 19.7376 CTL2 2528 2530 2531 2532 -0.18 2532 2530 H11 SLES 1 23.5845 13.6045 19.8521 HAL2 2529 0 0 0 0.09 2533 2531 H12 SLES 1 24.8929 12.7928 18.9205 HAL2 2529 0 0 0 0.09 2534 2532 C2 SLES 1 23.163 11.4853 19.3826 CTL2 2529 2533 2534 2535 -0.18 2535 2533 H21 SLES 1 23.2565 10.6864 20.1519 HAL2 2532 0 0 0 0.09 2536 2534 H22 SLES 1 23.4547 11.0513 18.4012 HAL2 2532 0 0 0 0.09 2537 2535 C3 SLES 1 21.6331 11.9677 19.3113 CTL2 2532 2536 2537 2538 -0.18 2538 2536 H31 SLES 1 21.1064 11.6362 20.2338 HAL2 2535 0 0 0 0.09 2539 2537 H32 SLES 1 21.6044 13.0752 19.2829 HAL2 2535 0 0 0 0.09 2540 2538 C4 SLES 1 20.8626 11.4006 18.0476 CTL2 2535 2539 2540 2541 -0.18 2541 2539 H41 SLES 1 20.2205 10.5537 18.368 HAL2 2538 0 0 0 0.09 2542 2540 H42 SLES 1 21.6013 11.0117 17.314 HAL2 2538 0 0 0 0.09 2543 2541 C5 SLES 1 19.956 12.5029 17.3352 CTL2 2538 2542 2543 2544 -0.18 2544 2542 H51 SLES 1 19.7876 13.3461 18.041 HAL2 2541 0 0 0 0.09 2545 2543 H52 SLES 1 20.4998 12.9022 16.4487 HAL2 2541 0 0 0 0.09 2546 2544 C6 SLES 1 18.5597 11.9417 16.8694 CTL2 2541 2545 2546 2547 -0.18 2547 2545 H61 SLES 1 17.9212 11.769 17.7647 HAL2 2544 0 0 0 0.09 2548 2546 H62 SLES 1 18.0568 12.7058 16.2317 HAL2 2544 0 0 0 0.09 2549 2547 C7 SLES 1 18.6807 10.6087 16.0654 CTL2 2544 2548 2549 2550 -0.18 2550 2548 H71 SLES 1 18.7924 9.76304 16.7797 HAL2 2547 0 0 0 0.09 2551 2549 H72 SLES 1 19.5954 10.647 15.4327 HAL2 2547 0 0 0 0.09 2552 2550 C8 SLES 1 17.4517 10.3439 15.1604 CTL2 2547 2551 2552 2553 -0.18 2553 2551 H81 SLES 1 16.5219 10.5287 15.7458 HAL2 2550 0 0 0 0.09 2554 2552 H82 SLES 1 17.4682 11.0584 14.3061 HAL2 2550 0 0 0 0.09 2555 2553 C9 SLES 1 17.4236 8.89622 14.6093 CTL2 2550 2554 2555 2556 -0.18 2556 2554 H91 SLES 1 17.437 8.18205 15.4637 HAL2 2553 0 0 0 0.09 2557 2555 H92 SLES 1 18.3398 8.72154 14.0013 HAL2 2553 0 0 0 0.09 2558 2556 C10 SLES 1 16.1776 8.6148 13.7365 CTL2 2553 2557 2558 2559 -0.18 2559 2557 H10 SLES 1 15.2612 8.76685 14.3513 HAL2 2556 0 0 0 0.09 2560 2558 H10 SLES 1 16.1515 9.34281 12.8943 HAL2 2556 0 0 0 0.09 2561 2559 C11 SLES 1 16.1682 7.17368 13.1612 CTL2 2556 2560 2561 2562 -0.18 2562 2560 H11 SLES 1 16.1874 6.4494 14.0074 HAL2 2559 0 0 0 0.09 2563 2561 H11 SLES 1 17.0949 7.02057 12.5623 HAL2 2559 0 0 0 0.09 2564 2562 C12 SLES 1 14.9391 6.86548 12.2675 CTL3 2559 2563 2564 2565 -0.27 2565 2563 H12 SLES 1 14.3617 6.01144 12.6854 HAL3 2562 0 0 0 0.09 2566 2564 H12 SLES 1 15.2664 6.60186 11.2376 HAL3 2562 0 0 0 0.09 2567 2565 H12 SLES 1 14.2698 7.75151 12.2107 HAL3 2562 0 0 0 0.09 2568 2566 NA SLES 1 36.2021 2.47731 25.2062 NA 0 0 0 0 1 2569 2567 S SLES 1 33.9935 5.3681 25.5468 SL 2568 2569 2570 2571 1.33 2570 2568 OS1 SLES 1 33.7355 4.09983 24.4827 OSL 2567 2572 0 0 -0.28 2571 2569 OS2 SLES 1 34.0613 4.78348 26.8701 O2L 2567 0 0 0 -0.65 2572 2570 OS3 SLES 1 35.2777 5.93582 25.193 O2L 2567 0 0 0 -0.65 2573 2571 OS4 SLES 1 32.9701 6.40051 25.5133 O2L 2567 0 0 0 -0.65 2574 2572 C2 SLES 1 32.386 4.21368 23.8614 CC32A 2568 2573 2574 2575 -0.11 2575 2573 H2A SLES 1 31.5879 4.27127 24.6532 HCA2 2572 0 0 0 0.09 2576 2574 H2B SLES 1 32.3552 5.15394 23.244 HCA2 2572 0 0 0 0.09 2577 2575 C1 SLES 1 32.1255 2.94171 22.9233 CC32A 2572 2576 2577 2578 -0.01 2578 2576 H1B SLES 1 32.2427 2.00435 23.5144 HCA2 2575 0 0 0 0.09 2579 2577 H1A SLES 1 32.8601 2.93183 22.0846 HCA2 2575 0 0 0 0.09 2580 2578 O1 SLES 1 30.8167 2.76097 22.2656 OC30A 2575 2579 0 0 -0.34 2581 2579 C2 SLES 1 29.9744 3.92902 22.1725 CC32A 2578 2580 2581 2582 -0.01 2582 2580 H2A SLES 1 29.822 4.18268 23.2399 HCA2 2579 0 0 0 0.09 2583 2581 H2B SLES 1 30.6577 4.68182 21.7189 HCA2 2579 0 0 0 0.09 2584 2582 C1 SLES 1 28.6008 3.9537 21.4309 CC32A 2579 2583 2584 2585 -0.01 2585 2583 H1B SLES 1 27.7857 3.69786 22.1424 HCA2 2582 0 0 0 0.09 2586 2584 H1A SLES 1 28.4181 4.97193 21.0329 HCA2 2582 0 0 0 0.09 2587 2585 O1 SLES 1 28.2667 3.05045 20.3285 OC30A 2582 2586 0 0 -0.34 2588 2586 C1 SLES 1 27.32 3.59752 19.3393 CTL2 2585 2587 2588 2589 -0.18 2589 2587 H11 SLES 1 26.9142 4.53513 19.7605 HAL2 2586 0 0 0 0.09 2590 2588 H12 SLES 1 28.0028 3.84992 18.5019 HAL2 2586 0 0 0 0.09 2591 2589 C2 SLES 1 26.1344 2.69696 18.8107 CTL2 2586 2590 2591 2592 -0.18 2592 2590 H21 SLES 1 26.1647 1.71284 19.3298 HAL2 2589 0 0 0 0.09 2593 2591 H22 SLES 1 26.2761 2.51483 17.7229 HAL2 2589 0 0 0 0.09 2594 2592 C3 SLES 1 24.6965 3.37097 19.0489 CTL2 2589 2593 2594 2595 -0.18 2595 2593 H31 SLES 1 24.2005 2.86941 19.9096 HAL2 2592 0 0 0 0.09 2596 2594 H32 SLES 1 24.8369 4.43825 19.3124 HAL2 2592 0 0 0 0.09 2597 2595 C4 SLES 1 23.7491 3.2743 17.7819 CTL2 2592 2596 2597 2598 -0.18 2598 2596 H41 SLES 1 23.0117 2.46089 17.9455 HAL2 2595 0 0 0 0.09 2599 2597 H42 SLES 1 24.3578 3.01038 16.8904 HAL2 2595 0 0 0 0.09 2600 2598 C5 SLES 1 22.9694 4.63561 17.4925 CTL2 2595 2599 2600 2601 -0.18 2601 2599 H51 SLES 1 22.9903 5.26764 18.4077 HAL2 2598 0 0 0 0.09 2602 2600 H52 SLES 1 23.4957 5.18969 16.682 HAL2 2598 0 0 0 0.09 2603 2601 C6 SLES 1 21.4705 4.4057 17.0661 CTL2 2598 2602 2603 2604 -0.18 2604 2602 H61 SLES 1 20.8867 4.0772 17.9551 HAL2 2601 0 0 0 0.09 2605 2603 H62 SLES 1 21.0423 5.37272 16.7126 HAL2 2601 0 0 0 0.09 2606 2604 C7 SLES 1 21.3196 3.33952 15.9353 CTL2 2601 2605 2606 2607 -0.18 2607 2605 H71 SLES 1 21.3562 2.3236 16.3873 HAL2 2604 0 0 0 0.09 2608 2606 H72 SLES 1 22.1756 3.4329 15.2304 HAL2 2604 0 0 0 0.09 2609 2607 C8 SLES 1 19.996 3.49118 15.1449 CTL2 2604 2608 2609 2610 -0.18 2610 2608 H81 SLES 1 19.1557 3.62538 15.8641 HAL2 2607 0 0 0 0.09 2611 2609 H82 SLES 1 20.0542 4.40411 14.5095 HAL2 2607 0 0 0 0.09 2612 2610 C9 SLES 1 19.7007 2.26549 14.2445 CTL2 2607 2611 2612 2613 -0.18 2613 2611 H91 SLES 1 19.672 1.34902 14.8766 HAL2 2610 0 0 0 0.09 2614 2612 H92 SLES 1 20.5273 2.14885 13.5078 HAL2 2610 0 0 0 0.09 2615 2613 C10 SLES 1 18.3603 2.39461 13.4827 CTL2 2610 2614 2615 2616 -0.18 2616 2614 H10 SLES 1 17.5306 2.48787 14.22 HAL2 2613 0 0 0 0.09 2617 2615 H10 SLES 1 18.3797 3.32254 12.8674 HAL2 2613 0 0 0 0.09 2618 2616 C11 SLES 1 18.0826 1.17941 12.5586 CTL2 2613 2617 2618 2619 -0.18 2619 2617 H11 SLES 1 18.0574 0.254815 13.1795 HAL2 2616 0 0 0 0.09 2620 2618 H11 SLES 1 18.9237 1.07951 11.8349 HAL2 2616 0 0 0 0.09 2621 2619 C12 SLES 1 16.7531 1.28661 11.7677 CTL3 2616 2620 2621 2622 -0.27 2622 2620 H12 SLES 1 16.0862 0.431434 12.0152 HAL3 2619 0 0 0 0.09 2623 2621 H12 SLES 1 16.9523 1.27558 10.6734 HAL3 2619 0 0 0 0.09 2624 2622 H12 SLES 1 16.2263 2.23198 12.0225 HAL3 2619 0 0 0 0.09 2625 2623 NA SLES 1 35.6221 -10.0441 24.1302 NA 0 0 0 0 1 2626 2624 S SLES 1 33.8439 -7.08467 25.3261 SL 2625 2626 2627 2628 1.33 2627 2625 OS1 SLES 1 33.4301 -7.94585 23.9497 OSL 2624 2629 0 0 -0.28 2628 2626 OS2 SLES 1 33.7982 -8.02594 26.4258 O2L 2624 0 0 0 -0.65 2629 2627 OS3 SLES 1 35.2036 -6.63023 25.1233 O2L 2624 0 0 0 -0.65 2630 2628 OS4 SLES 1 32.98 -5.94977 25.6093 O2L 2624 0 0 0 -0.65 2631 2629 C2 SLES 1 32.1248 -7.46685 23.414 CC32A 2625 2630 2631 2632 -0.11 2632 2630 H2A SLES 1 31.326 -7.52353 24.2052 HCA2 2629 0 0 0 0.09 2633 2631 H2B SLES 1 32.2426 -6.39527 23.0914 HCA2 2629 0 0 0 0.09 2634 2632 C1 SLES 1 31.7052 -8.36711 22.1573 CC32A 2629 2633 2634 2635 -0.01 2635 2633 H1B SLES 1 31.6738 -9.44085 22.4538 HCA2 2632 0 0 0 0.09 2636 2634 H1A SLES 1 32.449 -8.24272 21.3361 HCA2 2632 0 0 0 0.09 2637 2635 O1 SLES 1 30.3988 -8.16277 21.502 OC30A 2632 2636 0 0 -0.34 2638 2636 C2 SLES 1 29.7349 -6.90834 21.7631 CC32A 2635 2637 2638 2639 -0.01 2639 2637 H2A SLES 1 29.5971 -6.9506 22.8613 HCA2 2636 0 0 0 0.09 2640 2638 H2B SLES 1 30.5288 -6.16373 21.5296 HCA2 2636 0 0 0 0.09 2641 2639 C1 SLES 1 28.3956 -6.47608 21.0873 CC32A 2636 2640 2641 2642 -0.01 2642 2640 H1B SLES 1 27.5369 -6.80442 21.7124 HCA2 2639 0 0 0 0.09 2643 2641 H1A SLES 1 28.3695 -5.37138 21.0002 HCA2 2639 0 0 0 0.09 2644 2642 O1 SLES 1 27.9597 -6.9695 19.7798 OC30A 2639 2643 0 0 -0.34 2645 2643 C1 SLES 1 27.1231 -6.03288 19.0073 CTL2 2642 2644 2645 2646 -0.18 2646 2644 H11 SLES 1 26.8468 -5.20625 19.6866 HAL2 2643 0 0 0 0.09 2647 2645 H12 SLES 1 27.8532 -5.65285 18.2631 HAL2 2643 0 0 0 0.09 2648 2646 C2 SLES 1 25.8325 -6.56514 18.2676 CTL2 2643 2647 2648 2649 -0.18 2649 2647 H21 SLES 1 25.71 -7.65014 18.4834 HAL2 2646 0 0 0 0.09 2650 2648 H22 SLES 1 25.9704 -6.44773 17.1704 HAL2 2646 0 0 0 0.09 2651 2649 C3 SLES 1 24.5012 -5.78786 18.7172 CTL2 2646 2650 2651 2652 -0.18 2652 2650 H31 SLES 1 23.9197 -6.43743 19.4086 HAL2 2649 0 0 0 0.09 2653 2651 H32 SLES 1 24.7874 -4.87183 19.2714 HAL2 2649 0 0 0 0.09 2654 2652 C4 SLES 1 23.5778 -5.38189 17.4946 CTL2 2649 2653 2654 2655 -0.18 2655 2653 H41 SLES 1 22.7279 -6.09343 17.434 HAL2 2652 0 0 0 0.09 2656 2654 H42 SLES 1 24.1617 -5.46506 16.5528 HAL2 2652 0 0 0 0.09 2657 2655 C5 SLES 1 23.0079 -3.89734 17.6216 CTL2 2652 2656 2657 2658 -0.18 2658 2656 H51 SLES 1 23.0991 -3.56252 18.6785 HAL2 2655 0 0 0 0.09 2659 2657 H52 SLES 1 23.6258 -3.21663 16.9925 HAL2 2655 0 0 0 0.09 2660 2658 C6 SLES 1 21.5012 -3.77823 17.1776 CTL2 2655 2659 2660 2661 -0.18 2661 2659 H61 SLES 1 20.857 -4.25928 17.9474 HAL2 2658 0 0 0 0.09 2662 2660 H62 SLES 1 21.2239 -2.69951 17.1235 HAL2 2658 0 0 0 0.09 2663 2661 C7 SLES 1 21.2238 -4.44425 15.7927 CTL2 2658 2662 2663 2664 -0.18 2664 2662 H71 SLES 1 21.1044 -5.54116 15.9352 HAL2 2661 0 0 0 0.09 2665 2663 H72 SLES 1 22.0995 -4.27762 15.1267 HAL2 2661 0 0 0 0.09 2666 2664 C8 SLES 1 19.9532 -3.88491 15.1054 CTL2 2661 2665 2666 2667 -0.18 2667 2665 H81 SLES 1 19.1253 -3.84223 15.8498 HAL2 2664 0 0 0 0.09 2668 2666 H82 SLES 1 20.1556 -2.84688 14.7559 HAL2 2664 0 0 0 0.09 2669 2667 C9 SLES 1 19.505 -4.74708 13.8987 CTL2 2664 2668 2669 2670 -0.18 2670 2668 H91 SLES 1 19.3314 -5.79177 14.2434 HAL2 2667 0 0 0 0.09 2671 2669 H92 SLES 1 20.3223 -4.76618 13.1429 HAL2 2667 0 0 0 0.09 2672 2670 C10 SLES 1 18.2141 -4.21486 13.2327 CTL2 2667 2671 2672 2673 -0.18 2673 2671 H10 SLES 1 17.3903 -4.21764 13.9824 HAL2 2670 0 0 0 0.09 2674 2672 H10 SLES 1 18.3797 -3.16278 12.9075 HAL2 2670 0 0 0 0.09 2675 2673 C11 SLES 1 17.7853 -5.06284 12.0059 CTL2 2670 2674 2675 2676 -0.18 2676 2674 H11 SLES 1 17.6142 -6.11254 12.3375 HAL2 2673 0 0 0 0.09 2677 2675 H11 SLES 1 18.619 -5.07186 11.267 HAL2 2673 0 0 0 0.09 2678 2676 C12 SLES 1 16.5025 -4.54466 11.3055 CTL3 2673 2677 2678 2679 -0.27 2679 2677 H12 SLES 1 15.7146 -5.32983 11.312 HAL3 2676 0 0 0 0.09 2680 2678 H12 SLES 1 16.722 -4.27151 10.2498 HAL3 2676 0 0 0 0.09 2681 2679 H12 SLES 1 16.1113 -3.64581 11.83 HAL3 2676 0 0 0 0.09 2682 2680 NA SLES 1 30.7921 -21.5478 23.2298 NA 0 0 0 0 1 2683 2681 S SLES 1 29.2895 -18.7564 25.0466 SL 2682 2683 2684 2685 1.33 2684 2682 OS1 SLES 1 28.9353 -19.1519 23.4574 OSL 2681 2686 0 0 -0.28 2685 2683 OS2 SLES 1 28.9868 -19.9315 25.8371 O2L 2681 0 0 0 -0.65 2686 2684 OS3 SLES 1 30.712 -18.4887 25.0875 O2L 2681 0 0 0 -0.65 2687 2685 OS4 SLES 1 28.5556 -17.6112 25.5606 O2L 2681 0 0 0 -0.65 2688 2686 C2 SLES 1 27.7793 -18.3474 22.9707 CC32A 2682 2687 2688 2689 -0.11 2689 2687 H2A SLES 1 26.8902 -18.4794 23.6484 HCA2 2686 0 0 0 0.09 2690 2688 H2B SLES 1 28.0762 -17.262 22.9663 HCA2 2686 0 0 0 0.09 2691 2689 C1 SLES 1 27.3996 -18.8104 21.485 CC32A 2686 2690 2691 2692 -0.01 2692 2690 H1B SLES 1 27.1908 -19.9049 21.4707 HCA2 2689 0 0 0 0.09 2693 2691 H1A SLES 1 28.2473 -18.5973 20.7927 HCA2 2689 0 0 0 0.09 2694 2692 O1 SLES 1 26.2209 -18.236 20.8078 OC30A 2689 2693 0 0 -0.34 2695 2693 C2 SLES 1 25.7021 -17.0033 21.3497 CC32A 2692 2694 2695 2696 -0.01 2696 2694 H2A SLES 1 25.4279 -17.3072 22.3789 HCA2 2693 0 0 0 0.09 2697 2695 H2B SLES 1 26.61 -16.3606 21.3954 HCA2 2693 0 0 0 0.09 2698 2696 C1 SLES 1 24.5236 -16.2013 20.7131 CC32A 2693 2697 2698 2699 -0.01 2699 2697 H1B SLES 1 23.5596 -16.5391 21.152 HCA2 2696 0 0 0 0.09 2700 2698 H1A SLES 1 24.6547 -15.1226 20.9318 HCA2 2696 0 0 0 0.09 2701 2699 O1 SLES 1 24.1879 -16.2611 19.2895 OC30A 2696 2700 0 0 -0.34 2702 2700 C1 SLES 1 23.5824 -15.0342 18.7397 CTL2 2699 2701 2702 2703 -0.18 2703 2701 H11 SLES 1 23.3377 -14.3797 19.5958 HAL2 2700 0 0 0 0.09 2704 2702 H12 SLES 1 24.4411 -14.5956 18.1906 HAL2 2700 0 0 0 0.09 2705 2703 C2 SLES 1 22.3318 -15.1419 17.7802 CTL2 2700 2704 2705 2706 -0.18 2706 2704 H21 SLES 1 22.0416 -16.2115 17.6782 HAL2 2703 0 0 0 0.09 2707 2705 H22 SLES 1 22.616 -14.7666 16.7727 HAL2 2703 0 0 0 0.09 2708 2706 C3 SLES 1 21.0706 -14.3056 18.3173 CTL2 2703 2707 2708 2709 -0.18 2709 2707 H31 SLES 1 20.3288 -15.0109 18.7537 HAL2 2706 0 0 0 0.09 2710 2708 H32 SLES 1 21.4063 -13.6235 19.1236 HAL2 2706 0 0 0 0.09 2711 2709 C4 SLES 1 20.3639 -13.453 17.1833 CTL2 2706 2710 2711 2712 -0.18 2712 2710 H41 SLES 1 19.4411 -13.9786 16.8605 HAL2 2709 0 0 0 0.09 2713 2711 H42 SLES 1 21.0415 -13.3806 16.3054 HAL2 2709 0 0 0 0.09 2714 2712 C5 SLES 1 19.9844 -11.9812 17.6677 CTL2 2709 2713 2714 2715 -0.18 2715 2713 H51 SLES 1 19.9904 -11.9521 18.7797 HAL2 2712 0 0 0 0.09 2716 2714 H52 SLES 1 20.7585 -11.2683 17.3025 HAL2 2712 0 0 0 0.09 2717 2715 C6 SLES 1 18.5717 -11.511 17.1533 CTL2 2712 2716 2717 2718 -0.18 2718 2716 H61 SLES 1 17.781 -12.0662 17.7061 HAL2 2715 0 0 0 0.09 2719 2717 H62 SLES 1 18.4482 -10.4254 17.3762 HAL2 2715 0 0 0 0.09 2720 2718 C7 SLES 1 18.3783 -11.7403 15.6208 CTL2 2715 2719 2720 2721 -0.18 2721 2719 H71 SLES 1 18.0985 -12.8027 15.4455 HAL2 2718 0 0 0 0.09 2722 2720 H72 SLES 1 19.3426 -11.5486 15.0996 HAL2 2718 0 0 0 0.09 2723 2721 C8 SLES 1 17.2857 -10.8254 15.0137 CTL2 2718 2722 2723 2724 -0.18 2724 2722 H81 SLES 1 16.3867 -10.8459 15.6715 HAL2 2721 0 0 0 0.09 2725 2723 H82 SLES 1 17.6645 -9.77849 14.9812 HAL2 2721 0 0 0 0.09 2726 2724 C9 SLES 1 16.8768 -11.2605 13.5841 CTL2 2721 2725 2726 2727 -0.18 2727 2725 H91 SLES 1 16.526 -12.3172 13.6125 HAL2 2724 0 0 0 0.09 2728 2726 H92 SLES 1 17.7699 -11.2129 12.921 HAL2 2724 0 0 0 0.09 2729 2727 C10 SLES 1 15.7579 -10.3737 12.9882 CTL2 2724 2728 2729 2730 -0.18 2730 2728 H10 SLES 1 14.8563 -10.4396 13.639 HAL2 2727 0 0 0 0.09 2731 2729 H10 SLES 1 16.0995 -9.31387 12.98 HAL2 2727 0 0 0 0.09 2732 2730 C11 SLES 1 15.3725 -10.7932 11.5448 CTL2 2727 2731 2732 2733 -0.18 2733 2731 H11 SLES 1 15.0251 -11.8516 11.5595 HAL2 2730 0 0 0 0.09 2734 2732 H11 SLES 1 16.2809 -10.743 10.902 HAL2 2730 0 0 0 0.09 2735 2733 C12 SLES 1 14.2639 -9.91212 10.9129 CTL3 2730 2734 2735 2736 -0.27 2736 2734 H12 SLES 1 13.3841 -10.5353 10.6391 HAL3 2733 0 0 0 0.09 2737 2735 H12 SLES 1 14.6439 -9.41243 9.99458 HAL3 2733 0 0 0 0.09 2738 2736 H12 SLES 1 13.9345 -9.13011 11.6312 HAL3 2733 0 0 0 0.09 2739 2737 NA SLES 1 22.3578 -30.7115 22.5614 NA 0 0 0 0 1 2740 2738 S SLES 1 20.8846 -28.1311 24.6878 SL 2739 2740 2741 2742 1.33 2741 2739 OS1 SLES 1 20.816 -28.1311 23.0137 OSL 2738 2743 0 0 -0.28 2742 2740 OS2 SLES 1 20.2783 -29.3729 25.1213 O2L 2738 0 0 0 -0.65 2743 2741 OS3 SLES 1 22.2907 -28.1229 25.0334 O2L 2738 0 0 0 -0.65 2744 2742 OS4 SLES 1 20.2136 -27.0057 25.3184 O2L 2738 0 0 0 -0.65 2745 2743 C2 SLES 1 19.8971 -27.0603 22.5347 CC32A 2739 2744 2745 2746 -0.11 2746 2744 H2A SLES 1 18.8786 -27.1735 23.0003 HCA2 2743 0 0 0 0.09 2747 2745 H2B SLES 1 20.325 -26.063 22.8323 HCA2 2743 0 0 0 0.09 2748 2746 C1 SLES 1 19.7741 -27.142 20.9397 CC32A 2743 2747 2748 2749 -0.01 2749 2747 H1B SLES 1 19.4343 -28.1593 20.6373 HCA2 2746 0 0 0 0.09 2750 2748 H1A SLES 1 20.7659 -26.9406 20.4717 HCA2 2746 0 0 0 0.09 2751 2749 O1 SLES 1 18.8427 -26.2509 20.2212 OC30A 2746 2750 0 0 -0.34 2752 2750 C2 SLES 1 18.3859 -25.0832 20.9358 CC32A 2749 2751 2752 2753 -0.01 2753 2751 H2A SLES 1 17.8699 -25.5379 21.8041 HCA2 2750 0 0 0 0.09 2754 2752 H2B SLES 1 19.3398 -24.6269 21.2841 HCA2 2750 0 0 0 0.09 2755 2753 C1 SLES 1 17.4756 -23.9808 20.3088 CC32A 2750 2754 2755 2756 -0.01 2756 2754 H1B SLES 1 16.4069 -24.2315 20.4854 HCA2 2753 0 0 0 0.09 2757 2755 H1A SLES 1 17.696 -23.0069 20.79 HCA2 2753 0 0 0 0.09 2758 2756 O1 SLES 1 17.4341 -23.6936 18.874 OC30A 2753 2757 0 0 -0.34 2759 2757 C1 SLES 1 17.1163 -22.2963 18.5268 CTL2 2756 2758 2759 2760 -0.18 2760 2758 H11 SLES 1 16.787 -21.7964 19.4558 HAL2 2757 0 0 0 0.09 2761 2759 H12 SLES 1 18.1182 -21.9082 18.2499 HAL2 2757 0 0 0 0.09 2762 2760 C2 SLES 1 16.0858 -21.9936 17.3681 CTL2 2757 2761 2762 2763 -0.18 2763 2761 H21 SLES 1 15.6882 -22.9554 16.9734 HAL2 2760 0 0 0 0.09 2764 2762 H22 SLES 1 16.6161 -21.4763 16.5388 HAL2 2760 0 0 0 0.09 2765 2763 C3 SLES 1 14.8589 -21.0813 17.8588 CTL2 2760 2764 2765 2766 -0.18 2766 2764 H31 SLES 1 13.9593 -21.7237 17.9863 HAL2 2763 0 0 0 0.09 2767 2765 H32 SLES 1 15.1065 -20.6434 18.8463 HAL2 2763 0 0 0 0.09 2768 2766 C4 SLES 1 14.5148 -19.9096 16.8483 CTL2 2763 2767 2768 2769 -0.18 2769 2767 H41 SLES 1 13.6182 -20.1945 16.2592 HAL2 2766 0 0 0 0.09 2770 2768 H42 SLES 1 15.3615 -19.7774 16.1408 HAL2 2766 0 0 0 0.09 2771 2769 C5 SLES 1 14.2355 -18.5235 17.587 CTL2 2766 2770 2771 2772 -0.18 2772 2770 H51 SLES 1 14.0171 -18.7212 18.6596 HAL2 2769 0 0 0 0.09 2773 2771 H52 SLES 1 15.1528 -17.8936 17.535 HAL2 2769 0 0 0 0.09 2774 2772 C6 SLES 1 13.0304 -17.7259 16.9601 CTL2 2769 2773 2774 2775 -0.18 2775 2773 H61 SLES 1 12.0787 -18.2388 17.2253 HAL2 2772 0 0 0 0.09 2776 2774 H62 SLES 1 13.0038 -16.7029 17.4031 HAL2 2772 0 0 0 0.09 2777 2775 C7 SLES 1 13.1276 -17.6045 15.4064 CTL2 2772 2776 2777 2778 -0.18 2778 2776 H71 SLES 1 12.7561 -18.5462 14.945 HAL2 2775 0 0 0 0.09 2779 2777 H72 SLES 1 14.1948 -17.478 15.1173 HAL2 2775 0 0 0 0.09 2780 2778 C8 SLES 1 12.309 -16.4136 14.8485 CTL2 2775 2779 2780 2781 -0.18 2781 2779 H81 SLES 1 11.2991 -16.4136 15.3192 HAL2 2778 0 0 0 0.09 2782 2780 H82 SLES 1 12.8173 -15.4617 15.1243 HAL2 2778 0 0 0 0.09 2783 2781 C9 SLES 1 12.1497 -16.4748 13.3086 CTL2 2778 2782 2783 2784 -0.18 2784 2782 H91 SLES 1 11.6683 -17.4401 13.0314 HAL2 2781 0 0 0 0.09 2785 2783 H92 SLES 1 13.1583 -16.4466 12.8381 HAL2 2781 0 0 0 0.09 2786 2784 C10 SLES 1 11.2997 -15.3089 12.7505 CTL2 2781 2785 2786 2787 -0.18 2787 2785 H10 SLES 1 10.2829 -15.3508 13.2036 HAL2 2784 0 0 0 0.09 2788 2786 H10 SLES 1 11.7685 -14.343 13.0462 HAL2 2784 0 0 0 0.09 2789 2787 C11 SLES 1 11.168 -15.3562 11.2051 CTL2 2784 2788 2789 2790 -0.18 2790 2788 H11 SLES 1 10.6924 -16.3209 10.9149 HAL2 2787 0 0 0 0.09 2791 2789 H11 SLES 1 12.1877 -15.3322 10.7573 HAL2 2787 0 0 0 0.09 2792 2790 C12 SLES 1 10.3346 -14.1902 10.6129 CTL3 2787 2791 2792 2793 -0.27 2793 2791 H12 SLES 1 9.45728 -14.5864 10.0555 HAL3 2790 0 0 0 0.09 2794 2792 H12 SLES 1 10.9556 -13.5872 9.91423 HAL3 2790 0 0 0 0.09 2795 2793 H12 SLES 1 9.9677 -13.5252 11.4248 HAL3 2790 0 0 0 0.09 2796 2794 NA SLES 1 11.3125 -36.5158 22.1518 NA 0 0 0 0 1 2797 2795 S SLES 1 9.69011 -33.9937 24.2392 SL 2796 2797 2798 2799 1.33 2798 2796 OS1 SLES 1 10.0654 -33.7835 22.6199 OSL 2795 2800 0 0 -0.28 2799 2797 OS2 SLES 1 8.83066 -35.1572 24.3115 O2L 2795 0 0 0 -0.65 2800 2798 OS3 SLES 1 10.9436 -34.2652 24.9113 O2L 2795 0 0 0 -0.65 2801 2799 OS4 SLES 1 9.03349 -32.8537 24.8586 O2L 2795 0 0 0 -0.65 2802 2800 C2 SLES 1 9.45689 -32.5232 22.1084 CC32A 2796 2801 2802 2803 -0.11 2803 2801 H2A SLES 1 8.34598 -32.5164 22.29 HCA2 2800 0 0 0 0.09 2804 2802 H2B SLES 1 9.92067 -31.6554 22.6543 HCA2 2800 0 0 0 0.09 2805 2803 C1 SLES 1 9.74841 -32.393 20.5387 CC32A 2800 2804 2805 2806 -0.01 2806 2804 H1B SLES 1 9.36734 -33.2947 20.0063 HCA2 2803 0 0 0 0.09 2807 2805 H1A SLES 1 10.8461 -32.3087 20.3622 HCA2 2803 0 0 0 0.09 2808 2806 O1 SLES 1 9.16688 -31.2779 19.7665 OC30A 2803 2807 0 0 -0.34 2809 2807 C2 SLES 1 8.6985 -30.1428 20.5247 CC32A 2806 2808 2809 2810 -0.01 2810 2808 H2A SLES 1 7.91609 -30.6031 21.1594 HCA2 2807 0 0 0 0.09 2811 2809 H2B SLES 1 9.57916 -29.8996 21.1608 HCA2 2807 0 0 0 0.09 2812 2810 C1 SLES 1 8.14131 -28.8355 19.8785 CC32A 2807 2811 2812 2813 -0.01 2813 2811 H1B SLES 1 7.0403 -28.9204 19.7497 HCA2 2810 0 0 0 0.09 2814 2812 H1A SLES 1 8.35544 -27.9772 20.5464 HCA2 2810 0 0 0 0.09 2815 2813 O1 SLES 1 8.51786 -28.3772 18.5402 OC30A 2810 2814 0 0 -0.34 2816 2814 C1 SLES 1 8.49252 -26.9151 18.3519 CTL2 2813 2815 2816 2817 -0.18 2817 2815 H11 SLES 1 8.00021 -26.4804 19.2406 HAL2 2814 0 0 0 0.09 2818 2816 H12 SLES 1 9.57463 -26.6725 18.3903 HAL2 2814 0 0 0 0.09 2819 2817 C2 SLES 1 7.85358 -26.3067 17.0412 CTL2 2814 2818 2819 2820 -0.18 2820 2818 H21 SLES 1 7.44903 -27.1333 16.4153 HAL2 2817 0 0 0 0.09 2821 2819 H22 SLES 1 8.6478 -25.7921 16.4572 HAL2 2817 0 0 0 0.09 2822 2820 C3 SLES 1 6.6742 -25.2642 17.3586 CTL2 2817 2821 2822 2823 -0.18 2823 2821 H31 SLES 1 5.69524 -25.7552 17.1616 HAL2 2820 0 0 0 0.09 2824 2822 H32 SLES 1 6.70934 -24.9949 18.4331 HAL2 2820 0 0 0 0.09 2825 2823 C4 SLES 1 6.76823 -23.9396 16.4931 CTL2 2820 2824 2825 2826 -0.18 2826 2824 H41 SLES 1 6.02869 -23.9964 15.6673 HAL2 2823 0 0 0 0.09 2827 2825 H42 SLES 1 7.78118 -23.87 16.0413 HAL2 2823 0 0 0 0.09 2828 2826 C5 SLES 1 6.49231 -22.6238 17.3518 CTL2 2823 2827 2828 2829 -0.18 2829 2827 H51 SLES 1 5.97473 -22.9075 18.2947 HAL2 2826 0 0 0 0.09 2830 2828 H52 SLES 1 7.46663 -22.157 17.6234 HAL2 2826 0 0 0 0.09 2831 2829 C6 SLES 1 5.61268 -21.5647 16.5864 CTL2 2826 2830 2831 2832 -0.18 2832 2830 H61 SLES 1 4.56503 -21.9365 16.5292 HAL2 2829 0 0 0 0.09 2833 2831 H62 SLES 1 5.60737 -20.6119 17.1657 HAL2 2829 0 0 0 0.09 2834 2832 C7 SLES 1 6.13095 -21.278 15.1416 CTL2 2829 2833 2834 2835 -0.18 2835 2833 H71 SLES 1 5.77151 -22.0815 14.4611 HAL2 2832 0 0 0 0.09 2836 2834 H72 SLES 1 7.24352 -21.3011 15.1427 HAL2 2832 0 0 0 0.09 2837 2835 C8 SLES 1 5.655 -19.9079 14.5977 CTL2 2832 2836 2837 2838 -0.18 2838 2836 H81 SLES 1 4.56622 -19.7924 14.8042 HAL2 2835 0 0 0 0.09 2839 2837 H82 SLES 1 6.19525 -19.0955 15.1351 HAL2 2835 0 0 0 0.09 2840 2838 C9 SLES 1 5.9001 -19.758 13.0753 CTL2 2835 2839 2840 2841 -0.18 2841 2839 H91 SLES 1 5.38401 -20.5878 12.541 HAL2 2838 0 0 0 0.09 2842 2840 H92 SLES 1 6.9914 -19.8457 12.8731 HAL2 2838 0 0 0 0.09 2843 2841 C10 SLES 1 5.39086 -18.407 12.5197 CTL2 2838 2842 2843 2844 -0.18 2844 2842 H10 SLES 1 4.29457 -18.3292 12.7011 HAL2 2841 0 0 0 0.09 2845 2843 H10 SLES 1 5.89008 -17.5766 13.0687 HAL2 2841 0 0 0 0.09 2846 2844 C11 SLES 1 5.66564 -18.2475 11.0008 CTL2 2841 2845 2846 2847 -0.18 2847 2845 H11 SLES 1 5.15864 -19.0763 10.4556 HAL2 2844 0 0 0 0.09 2848 2846 H11 SLES 1 6.761 -18.3439 10.8224 HAL2 2844 0 0 0 0.09 2849 2847 C12 SLES 1 5.18133 -16.8952 10.4166 CTL3 2844 2848 2849 2850 -0.27 2850 2848 H12 SLES 1 4.43691 -17.0678 9.60831 HAL3 2847 0 0 0 0.09 2851 2849 H12 SLES 1 6.03921 -16.3277 9.99316 HAL3 2847 0 0 0 0.09 2852 2850 H12 SLES 1 4.70591 -16.2787 11.2104 HAL3 2847 0 0 0 0.09 2853 2851 NA SLES 1 -1.10939 -38.3021 21.9955 NA 0 0 0 0 1 2854 2852 S SLES 1 -2.87348 -35.595 23.7013 SL 2853 2854 2855 2856 1.33 2855 2853 OS1 SLES 1 -2.01944 -35.4149 22.2711 OSL 2852 2857 0 0 -0.28 2856 2854 OS2 SLES 1 -3.87956 -36.6064 23.4516 O2L 2852 0 0 0 -0.65 2857 2855 OS3 SLES 1 -1.9223 -36.078 24.6804 O2L 2852 0 0 0 -0.65 2858 2856 OS4 SLES 1 -3.50463 -34.377 24.1838 O2L 2852 0 0 0 -0.65 2859 2857 C2 SLES 1 -2.26056 -34.0631 21.6926 CC32A 2853 2858 2859 2860 -0.11 2860 2858 H2A SLES 1 -3.36276 -33.8815 21.5535 HCA2 2857 0 0 0 0.09 2861 2859 H2B SLES 1 -1.85112 -33.2923 22.403 HCA2 2857 0 0 0 0.09 2862 2860 C1 SLES 1 -1.512 -33.9495 20.281 CC32A 2857 2861 2862 2863 -0.01 2863 2861 H1B SLES 1 -1.85213 -34.7672 19.6047 HCA2 2860 0 0 0 0.09 2864 2862 H1A SLES 1 -0.410313 -34.0392 20.4273 HCA2 2860 0 0 0 0.09 2865 2863 O1 SLES 1 -1.67374 -32.74 19.4511 OC30A 2860 2864 0 0 -0.34 2866 2864 C2 SLES 1 -2.16773 -31.5601 20.1192 CC32A 2863 2865 2866 2867 -0.01 2867 2865 H2A SLES 1 -3.15931 -31.9014 20.4757 HCA2 2864 0 0 0 0.09 2868 2866 H2B SLES 1 -1.48255 -31.4745 20.9925 HCA2 2864 0 0 0 0.09 2869 2867 C1 SLES 1 -2.31438 -30.1672 19.4294 CC32A 2864 2868 2869 2870 -0.01 2870 2868 H1B SLES 1 -3.33108 -30.0715 18.9899 HCA2 2867 0 0 0 0.09 2871 2869 H1A SLES 1 -2.17771 -29.3683 20.1854 HCA2 2867 0 0 0 0.09 2872 2870 O1 SLES 1 -1.50367 -29.7484 18.2848 OC30A 2867 2871 0 0 -0.34 2873 2871 C1 SLES 1 -1.25664 -28.2976 18.1934 CTL2 2870 2872 2873 2874 -0.18 2874 2872 H11 SLES 1 -1.91471 -27.8077 18.9337 HAL2 2871 0 0 0 0.09 2875 2873 H12 SLES 1 -0.208341 -28.233 18.5514 HAL2 2871 0 0 0 0.09 2876 2874 C2 SLES 1 -1.39215 -27.5679 16.7986 CTL2 2871 2875 2876 2877 -0.18 2877 2875 H21 SLES 1 -1.71635 -28.3059 16.0311 HAL2 2874 0 0 0 0.09 2878 2876 H22 SLES 1 -0.396009 -27.176 16.4975 HAL2 2874 0 0 0 0.09 2879 2877 C3 SLES 1 -2.44492 -26.3561 16.8381 CTL2 2874 2878 2879 2880 -0.18 2880 2878 H31 SLES 1 -3.38667 -26.6793 16.3412 HAL2 2877 0 0 0 0.09 2881 2879 H32 SLES 1 -2.68228 -26.1179 17.8941 HAL2 2877 0 0 0 0.09 2882 2880 C4 SLES 1 -1.90975 -25.0466 16.1233 CTL2 2877 2881 2882 2883 -0.18 2883 2881 H41 SLES 1 -2.37901 -24.9669 15.1205 HAL2 2880 0 0 0 0.09 2884 2882 H42 SLES 1 -0.810829 -25.1315 15.9812 HAL2 2880 0 0 0 0.09 2885 2883 C5 SLES 1 -2.22395 -23.7212 16.9537 CTL2 2880 2884 2885 2886 -0.18 2886 2884 H51 SLES 1 -3.02795 -23.9371 17.6916 HAL2 2883 0 0 0 0.09 2887 2885 H52 SLES 1 -1.31175 -23.4228 17.5192 HAL2 2883 0 0 0 0.09 2888 2886 C6 SLES 1 -2.67789 -22.5192 16.0425 CTL2 2883 2887 2888 2889 -0.18 2889 2887 H61 SLES 1 -3.70731 -22.7165 15.6678 HAL2 2886 0 0 0 0.09 2890 2888 H62 SLES 1 -2.70919 -21.5899 16.6581 HAL2 2886 0 0 0 0.09 2891 2889 C7 SLES 1 -1.72777 -22.2902 14.8247 CTL2 2886 2890 2891 2892 -0.18 2892 2890 H71 SLES 1 -1.99013 -23.0115 14.0193 HAL2 2889 0 0 0 0.09 2893 2891 H72 SLES 1 -0.679232 -22.4918 15.1382 HAL2 2889 0 0 0 0.09 2894 2892 C8 SLES 1 -1.81786 -20.8506 14.2598 CTL2 2889 2893 2894 2895 -0.18 2895 2893 H81 SLES 1 -2.8902 -20.5659 14.1579 HAL2 2892 0 0 0 0.09 2896 2894 H82 SLES 1 -1.34184 -20.1468 14.98 HAL2 2892 0 0 0 0.09 2897 2895 C9 SLES 1 -1.12394 -20.7112 12.8817 CTL2 2892 2896 2897 2898 -0.18 2898 2896 H91 SLES 1 -1.58059 -21.4362 12.1702 HAL2 2895 0 0 0 0.09 2899 2897 H92 SLES 1 -0.0463351 -20.969 12.9903 HAL2 2895 0 0 0 0.09 2900 2898 C10 SLES 1 -1.24496 -19.2848 12.295 CTL2 2895 2899 2900 2901 -0.18 2901 2899 H10 SLES 1 -2.32273 -19.0355 12.1644 HAL2 2898 0 0 0 0.09 2902 2900 H10 SLES 1 -0.808438 -18.5569 13.0158 HAL2 2898 0 0 0 0.09 2903 2901 C11 SLES 1 -0.522578 -19.1408 10.9292 CTL2 2898 2902 2903 2904 -0.18 2904 2902 H11 SLES 1 -0.967315 -19.866 10.2099 HAL2 2901 0 0 0 0.09 2905 2903 H11 SLES 1 0.550703 -19.4083 11.0611 HAL2 2901 0 0 0 0.09 2906 2904 C12 SLES 1 -0.611565 -17.7166 10.3222 CTL3 2901 2905 2906 2907 -0.27 2907 2905 H12 SLES 1 -1.10765 -17.7508 9.32723 HAL3 2904 0 0 0 0.09 2908 2906 H12 SLES 1 0.406247 -17.2859 10.1962 HAL3 2904 0 0 0 0.09 2909 2907 H12 SLES 1 -1.19926 -17.048 10.9883 HAL3 2904 0 0 0 0.09 2910 2908 NA SLES 1 -13.5297 -35.813 22.0558 NA 0 0 0 0 1 2911 2909 S SLES 1 -15.2262 -32.7451 23.0854 SL 2910 2911 2912 2913 1.33 2912 2910 OS1 SLES 1 -13.9894 -32.8099 21.9569 OSL 2909 2914 0 0 -0.28 2913 2911 OS2 SLES 1 -16.2756 -33.6124 22.5913 O2L 2909 0 0 0 -0.65 2914 2912 OS3 SLES 1 -14.6797 -33.2838 24.3133 O2L 2909 0 0 0 -0.65 2915 2913 OS4 SLES 1 -15.7561 -31.412 23.3227 O2L 2909 0 0 0 -0.65 2916 2914 C2 SLES 1 -13.8322 -31.4883 21.2869 CC32A 2910 2915 2916 2917 -0.11 2917 2915 H2A SLES 1 -14.8058 -31.1565 20.8296 HCA2 2914 0 0 0 0.09 2918 2916 H2B SLES 1 -13.5155 -30.7323 22.058 HCA2 2914 0 0 0 0.09 2919 2917 C1 SLES 1 -12.7113 -31.6014 20.1481 CC32A 2914 2918 2919 2920 -0.01 2920 2918 H1B SLES 1 -12.9797 -32.4112 19.4312 HCA2 2917 0 0 0 0.09 2921 2919 H1A SLES 1 -11.7249 -31.8419 20.6089 HCA2 2917 0 0 0 0.09 2922 2920 O1 SLES 1 -12.4324 -30.4521 19.2654 OC30A 2917 2921 0 0 -0.34 2923 2921 C2 SLES 1 -12.8908 -29.1619 19.7213 CC32A 2920 2922 2923 2924 -0.01 2924 2922 H2A SLES 1 -13.9848 -29.3221 19.7883 HCA2 2921 0 0 0 0.09 2925 2923 H2B SLES 1 -12.4723 -29.1091 20.7515 HCA2 2921 0 0 0 0.09 2926 2924 C1 SLES 1 -12.6064 -27.8229 18.9706 CC32A 2921 2925 2926 2927 -0.01 2927 2925 H1B SLES 1 -13.4296 -27.6128 18.2535 HCA2 2924 0 0 0 0.09 2928 2926 H1A SLES 1 -12.5558 -26.9949 19.7057 HCA2 2924 0 0 0 0.09 2929 2927 O1 SLES 1 -11.4508 -27.6229 18.0947 OC30A 2924 2928 0 0 -0.34 2930 2928 C1 SLES 1 -10.9514 -26.2372 18.0281 CTL2 2927 2929 2930 2931 -0.18 2931 2929 H11 SLES 1 -11.6993 -25.5967 18.5297 HAL2 2928 0 0 0 0.09 2932 2930 H12 SLES 1 -10.049 -26.3005 18.6707 HAL2 2928 0 0 0 0.09 2933 2931 C2 SLES 1 -10.5695 -25.6102 16.6291 CTL2 2928 2932 2933 2934 -0.18 2934 2932 H21 SLES 1 -10.7841 -26.3511 15.8267 HAL2 2931 0 0 0 0.09 2935 2933 H22 SLES 1 -9.47833 -25.3963 16.6146 HAL2 2931 0 0 0 0.09 2936 2934 C3 SLES 1 -11.3757 -24.256 16.3212 CTL2 2931 2935 2936 2937 -0.18 2937 2935 H31 SLES 1 -12.1813 -24.4745 15.5853 HAL2 2934 0 0 0 0.09 2938 2936 H32 SLES 1 -11.8555 -23.9009 17.255 HAL2 2934 0 0 0 0.09 2939 2937 C4 SLES 1 -10.4531 -23.1026 15.7461 CTL2 2934 2938 2939 2940 -0.18 2940 2938 H41 SLES 1 -10.604 -23.035 14.6485 HAL2 2937 0 0 0 0.09 2941 2939 H42 SLES 1 -9.3881 -23.3612 15.93 HAL2 2937 0 0 0 0.09 2942 2940 C5 SLES 1 -10.7627 -21.6827 16.4042 CTL2 2937 2941 2942 2943 -0.18 2943 2941 H51 SLES 1 -11.7648 -21.7165 16.8858 HAL2 2940 0 0 0 0.09 2944 2942 H52 SLES 1 -10.0082 -21.4787 17.198 HAL2 2940 0 0 0 0.09 2945 2943 C6 SLES 1 -10.7387 -20.5039 15.3596 CTL2 2940 2944 2945 2946 -0.18 2946 2944 H61 SLES 1 -11.6405 -20.5754 14.711 HAL2 2943 0 0 0 0.09 2947 2945 H62 SLES 1 -10.7863 -19.5337 15.9074 HAL2 2943 0 0 0 0.09 2948 2946 C7 SLES 1 -9.46222 -20.5177 14.4604 CTL2 2943 2947 2948 2949 -0.18 2949 2947 H71 SLES 1 -9.60502 -21.2544 13.639 HAL2 2946 0 0 0 0.09 2950 2948 H72 SLES 1 -8.59129 -20.847 15.0697 HAL2 2946 0 0 0 0.09 2951 2949 C8 SLES 1 -9.15145 -19.1309 13.844 CTL2 2946 2950 2951 2952 -0.18 2952 2950 H81 SLES 1 -10.0902 -18.699 13.4273 HAL2 2949 0 0 0 0.09 2953 2951 H82 SLES 1 -8.78562 -18.45 14.6459 HAL2 2949 0 0 0 0.09 2954 2952 C9 SLES 1 -8.08736 -19.2077 12.7205 CTL2 2949 2953 2954 2955 -0.18 2955 2953 H91 SLES 1 -8.44077 -19.9117 11.9332 HAL2 2952 0 0 0 0.09 2956 2954 H92 SLES 1 -7.14107 -19.6134 13.1442 HAL2 2952 0 0 0 0.09 2957 2955 C10 SLES 1 -7.80193 -17.8312 12.0748 CTL2 2952 2956 2957 2958 -0.18 2958 2956 H10 SLES 1 -8.74365 -17.4357 11.6303 HAL2 2955 0 0 0 0.09 2959 2957 H10 SLES 1 -7.46969 -17.1206 12.8651 HAL2 2955 0 0 0 0.09 2960 2958 C11 SLES 1 -6.71362 -17.9067 10.9712 CTL2 2955 2959 2960 2961 -0.18 2961 2959 H11 SLES 1 -7.05362 -18.6133 10.1798 HAL2 2958 0 0 0 0.09 2962 2960 H11 SLES 1 -5.77954 -18.3194 11.4163 HAL2 2958 0 0 0 0.09 2963 2961 C12 SLES 1 -6.3926 -16.5387 10.3153 CTL3 2958 2962 2963 2964 -0.27 2964 2962 H12 SLES 1 -6.58981 -16.5788 9.22135 HAL3 2961 0 0 0 0.09 2965 2963 H12 SLES 1 -5.32338 -16.2758 10.4733 HAL3 2961 0 0 0 0.09 2966 2964 H12 SLES 1 -7.02368 -15.7386 10.76 HAL3 2961 0 0 0 0.09 2967 2965 NA SLES 1 -24.5309 -29.2295 22.27 NA 0 0 0 0 1 2968 2966 S SLES 1 -25.844 -25.8227 22.4117 SL 2967 2968 2969 2970 1.33 2969 2967 OS1 SLES 1 -24.4087 -26.2536 21.6624 OSL 2966 2971 0 0 -0.28 2970 2968 OS2 SLES 1 -26.8857 -26.6057 21.7797 O2L 2966 0 0 0 -0.65 2971 2969 OS3 SLES 1 -25.7074 -26.2139 23.7991 O2L 2966 0 0 0 -0.65 2972 2970 OS4 SLES 1 -26.1673 -24.4076 22.3263 O2L 2966 0 0 0 -0.65 2973 2971 C2 SLES 1 -23.864 -25.1021 20.8893 CC32A 2967 2972 2973 2974 -0.11 2974 2972 H2A SLES 1 -24.6271 -24.7203 20.1551 HCA2 2971 0 0 0 0.09 2975 2973 H2B SLES 1 -23.6075 -24.2771 21.6103 HCA2 2971 0 0 0 0.09 2976 2974 C1 SLES 1 -22.5457 -25.5656 20.1063 CC32A 2971 2975 2976 2977 -0.01 2977 2975 H1B SLES 1 -22.7785 -26.4406 19.4568 HCA2 2974 0 0 0 0.09 2978 2976 H1A SLES 1 -21.755 -25.8596 20.8353 HCA2 2974 0 0 0 0.09 2979 2977 O1 SLES 1 -21.8657 -24.6358 19.1839 OC30A 2974 2978 0 0 -0.34 2980 2978 C2 SLES 1 -22.1796 -23.235 19.3318 CC32A 2977 2979 2980 2981 -0.01 2981 2979 H2A SLES 1 -23.2691 -23.2259 19.1323 HCA2 2978 0 0 0 0.09 2982 2980 H2B SLES 1 -22.0127 -23.0655 20.4194 HCA2 2978 0 0 0 0.09 2983 2981 C1 SLES 1 -21.4914 -22.0983 18.5123 CC32A 2978 2982 2983 2984 -0.01 2984 2982 H1B SLES 1 -22.0713 -21.9008 17.5846 HCA2 2981 0 0 0 0.09 2985 2983 H1A SLES 1 -21.4677 -21.1718 19.1202 HCA2 2981 0 0 0 0.09 2986 2984 O1 SLES 1 -20.1455 -22.2162 17.9488 OC30A 2981 2985 0 0 -0.34 2987 2985 C1 SLES 1 -19.4045 -20.9467 17.8335 CTL2 2984 2986 2987 2988 -0.18 2988 2986 H11 SLES 1 -20.1222 -20.131 18.0349 HAL2 2985 0 0 0 0.09 2989 2987 H12 SLES 1 -18.705 -21.025 18.6914 HAL2 2985 0 0 0 0.09 2990 2988 C2 SLES 1 -18.5982 -20.6293 16.5124 CTL2 2985 2989 2990 2991 -0.18 2991 2989 H21 SLES 1 -18.7472 -21.4594 15.7861 HAL2 2988 0 0 0 0.09 2992 2990 H22 SLES 1 -17.5141 -20.5767 16.7545 HAL2 2988 0 0 0 0.09 2993 2991 C3 SLES 1 -19.0532 -19.2485 15.8308 CTL2 2988 2992 2993 2994 -0.18 2994 2992 H31 SLES 1 -19.6888 -19.4746 14.9458 HAL2 2991 0 0 0 0.09 2995 2993 H32 SLES 1 -19.6676 -18.6744 16.5527 HAL2 2991 0 0 0 0.09 2996 2994 C4 SLES 1 -17.83 -18.3523 15.3696 CTL2 2991 2995 2996 2997 -0.18 2997 2995 H41 SLES 1 -17.7037 -18.4537 14.2715 HAL2 2994 0 0 0 0.09 2998 2996 H42 SLES 1 -16.9022 -18.7226 15.8565 HAL2 2994 0 0 0 0.09 2999 2997 C5 SLES 1 -18.026 -16.8113 15.7326 CTL2 2994 2998 2999 3000 -0.18 3000 2998 H51 SLES 1 -19.1027 -16.6206 15.937 HAL2 2997 0 0 0 0.09 3001 2999 H52 SLES 1 -17.4555 -16.5821 16.6615 HAL2 2997 0 0 0 0.09 3002 3000 C6 SLES 1 -17.5461 -15.8446 14.5852 CTL2 2997 3001 3002 3003 -0.18 3003 3001 H61 SLES 1 -18.2678 -15.899 13.7394 HAL2 3000 0 0 0 0.09 3004 3002 H62 SLES 1 -17.5466 -14.7979 14.9698 HAL2 3000 0 0 0 0.09 3005 3003 C7 SLES 1 -16.1177 -16.192 14.0588 CTL2 3000 3004 3005 3006 -0.18 3006 3004 H71 SLES 1 -16.1929 -17.0313 13.3325 HAL2 3003 0 0 0 0.09 3007 3005 H72 SLES 1 -15.4881 -16.531 14.9115 HAL2 3003 0 0 0 0.09 3008 3006 C8 SLES 1 -15.4273 -14.9894 13.3684 CTL2 3003 3007 3008 3009 -0.18 3009 3007 H81 SLES 1 -16.1486 -14.5078 12.669 HAL2 3006 0 0 0 0.09 3010 3008 H82 SLES 1 -15.1445 -14.2391 14.1415 HAL2 3006 0 0 0 0.09 3011 3009 C9 SLES 1 -14.1602 -15.4069 12.5806 CTL2 3006 3010 3011 3012 -0.18 3012 3010 H91 SLES 1 -14.4387 -16.1788 11.8276 HAL2 3009 0 0 0 0.09 3013 3011 H92 SLES 1 -13.4286 -15.8627 13.2852 HAL2 3009 0 0 0 0.09 3014 3012 C10 SLES 1 -13.489 -14.2157 11.8568 CTL2 3009 3013 3014 3015 -0.18 3015 3013 H10 SLES 1 -14.2131 -13.774 11.1348 HAL2 3012 0 0 0 0.09 3016 3014 H10 SLES 1 -13.2302 -13.4338 12.6063 HAL2 3012 0 0 0 0.09 3017 3015 C11 SLES 1 -12.2032 -14.6319 11.0941 CTL2 3012 3016 3017 3018 -0.18 3018 3016 H11 SLES 1 -12.4685 -15.4089 10.3411 HAL2 3015 0 0 0 0.09 3019 3017 H11 SLES 1 -11.4896 -15.0892 11.817 HAL2 3015 0 0 0 0.09 3020 3018 C12 SLES 1 -11.4972 -13.4558 10.3711 CTL3 3015 3019 3020 3021 -0.27 3021 3019 H12 SLES 1 -11.4353 -13.655 9.27844 HAL3 3018 0 0 0 0.09 3022 3020 H12 SLES 1 -10.4658 -13.3226 10.7659 HAL3 3018 0 0 0 0.09 3023 3021 H12 SLES 1 -12.0612 -12.5105 10.5274 HAL3 3018 0 0 0 0.09 3024 3022 NA SLES 1 -32.7859 -19.1919 22.5575 NA 0 0 0 0 1 3025 3023 S SLES 1 -33.4552 -15.7019 21.7074 SL 3024 3025 3026 3027 1.33 3026 3024 OS1 SLES 1 -32.0209 -16.5 21.3707 OSL 3023 3028 0 0 -0.28 3027 3025 OS2 SLES 1 -34.5058 -16.4593 21.0593 O2L 3023 0 0 0 -0.65 3028 3026 OS3 SLES 1 -33.621 -15.7606 23.1446 O2L 3023 0 0 0 -0.65 3029 3027 OS4 SLES 1 -33.4943 -14.3186 21.2609 O2L 3023 0 0 0 -0.65 3030 3028 C2 SLES 1 -31.1552 -15.659 20.4969 CC32A 3024 3029 3030 3031 -0.11 3031 3029 H2A SLES 1 -31.7049 -15.3626 19.5603 HCA2 3028 0 0 0 0.09 3032 3030 H2B SLES 1 -30.8724 -14.7288 21.0633 HCA2 3028 0 0 0 0.09 3033 3031 C1 SLES 1 -29.8349 -16.48 20.1113 CC32A 3028 3032 3033 3034 -0.01 3034 3032 H1B SLES 1 -30.1155 -17.4444 19.6286 HCA2 3031 0 0 0 0.09 3035 3033 H1A SLES 1 -29.2413 -16.6974 21.0298 HCA2 3031 0 0 0 0.09 3036 3034 O1 SLES 1 -28.8542 -15.9072 19.1689 OC30A 3031 3035 0 0 -0.34 3037 3035 C2 SLES 1 -28.925 -14.4824 18.9505 CC32A 3034 3036 3037 3038 -0.01 3038 3036 H2A SLES 1 -29.9469 -14.368 18.5387 HCA2 3035 0 0 0 0.09 3039 3037 H2B SLES 1 -28.9094 -14.0798 19.9883 HCA2 3035 0 0 0 0.09 3040 3038 C1 SLES 1 -27.9152 -13.6873 18.0644 CC32A 3035 3039 3040 3041 -0.01 3041 3039 H1B SLES 1 -28.2898 -13.6405 17.0186 HCA2 3038 0 0 0 0.09 3042 3040 H1A SLES 1 -27.8209 -12.654 18.4543 HCA2 3038 0 0 0 0.09 3043 3041 O1 SLES 1 -26.5404 -14.1272 17.821 OC30A 3038 3042 0 0 -0.34 3044 3042 C1 SLES 1 -25.5699 -13.0414 17.5909 CTL2 3041 3043 3044 3045 -0.18 3045 3043 H11 SLES 1 -26.1484 -12.1081 17.4664 HAL2 3042 0 0 0 0.09 3046 3044 H12 SLES 1 -25.0462 -13.0075 18.5686 HAL2 3042 0 0 0 0.09 3047 3045 C2 SLES 1 -24.5145 -13.1708 16.4223 CTL2 3042 3046 3047 3048 -0.18 3048 3046 H21 SLES 1 -24.6932 -14.1225 15.8735 HAL2 3045 0 0 0 0.09 3049 3047 H22 SLES 1 -23.4934 -13.2149 16.8607 HAL2 3045 0 0 0 0.09 3050 3048 C3 SLES 1 -24.5904 -11.9462 15.3864 CTL2 3045 3049 3050 3051 -0.18 3051 3049 H31 SLES 1 -25.1038 -12.2879 14.4601 HAL2 3048 0 0 0 0.09 3052 3050 H32 SLES 1 -25.1981 -11.1334 15.8317 HAL2 3048 0 0 0 0.09 3053 3051 C4 SLES 1 -23.1646 -11.3707 15.0014 CTL2 3048 3052 3053 3054 -0.18 3054 3052 H41 SLES 1 -22.8818 -11.752 13.9981 HAL2 3051 0 0 0 0.09 3055 3053 H42 SLES 1 -22.4128 -11.7393 15.7322 HAL2 3051 0 0 0 0.09 3056 3054 C5 SLES 1 -23.1305 -9.77595 14.9828 CTL2 3051 3055 3056 3057 -0.18 3057 3055 H51 SLES 1 -24.1724 -9.39112 14.9214 HAL2 3054 0 0 0 0.09 3058 3056 H52 SLES 1 -22.6868 -9.4115 15.9374 HAL2 3054 0 0 0 0.09 3059 3057 C6 SLES 1 -22.3004 -9.19392 13.7771 CTL2 3054 3058 3059 3060 -0.18 3060 3058 H61 SLES 1 -22.872 -9.34901 12.8347 HAL2 3057 0 0 0 0.09 3061 3059 H62 SLES 1 -22.1711 -8.09601 13.9231 HAL2 3057 0 0 0 0.09 3062 3060 C7 SLES 1 -20.8938 -9.85682 13.6346 CTL2 3057 3061 3062 3063 -0.18 3063 3061 H71 SLES 1 -21.0026 -10.8278 13.1025 HAL2 3060 0 0 0 0.09 3064 3062 H72 SLES 1 -20.4849 -10.0646 14.6485 HAL2 3060 0 0 0 0.09 3065 3063 C8 SLES 1 -19.8908 -8.96741 12.8583 CTL2 3060 3064 3065 3066 -0.18 3066 3064 H81 SLES 1 -20.3874 -8.57264 11.9423 HAL2 3063 0 0 0 0.09 3067 3065 H82 SLES 1 -19.6048 -8.09993 13.4957 HAL2 3063 0 0 0 0.09 3068 3066 C9 SLES 1 -18.611 -9.73812 12.4481 CTL2 3063 3067 3068 3069 -0.18 3069 3067 H91 SLES 1 -18.9001 -10.6221 11.8355 HAL2 3066 0 0 0 0.09 3070 3068 H92 SLES 1 -18.1006 -10.1083 13.3656 HAL2 3066 0 0 0 0.09 3071 3069 C10 SLES 1 -17.6232 -8.86503 11.6385 CTL2 3066 3070 3071 3072 -0.18 3072 3070 H10 SLES 1 -18.1262 -8.51366 10.7088 HAL2 3069 0 0 0 0.09 3073 3071 H10 SLES 1 -17.3508 -7.96951 12.2417 HAL2 3069 0 0 0 0.09 3074 3072 C11 SLES 1 -16.3291 -9.63106 11.2558 CTL2 3069 3073 3074 3075 -0.18 3075 3073 H11 SLES 1 -16.6063 -10.5219 10.6469 HAL2 3072 0 0 0 0.09 3076 3074 H11 SLES 1 -15.8394 -9.99577 12.1875 HAL2 3072 0 0 0 0.09 3077 3075 C12 SLES 1 -15.3105 -8.77722 10.4571 CTL3 3072 3076 3077 3078 -0.27 3078 3076 H12 SLES 1 -15.109 -9.24198 9.46679 HAL3 3075 0 0 0 0.09 3079 3077 H12 SLES 1 -14.3506 -8.69948 11.014 HAL3 3075 0 0 0 0.09 3080 3078 H12 SLES 1 -15.7089 -7.7523 10.293 HAL3 3075 0 0 0 0.09 3081 3079 NA SLES 1 -37.2143 -6.78189 22.8295 NA 0 0 0 0 1 3082 3080 S SLES 1 -37.1862 -3.61767 21.0026 SL 3081 3082 3083 3084 1.33 3083 3081 OS1 SLES 1 -35.8975 -4.68672 21.0642 OSL 3080 3085 0 0 -0.28 3084 3082 OS2 SLES 1 -38.3064 -4.35917 20.4615 O2L 3080 0 0 0 -0.65 3085 3083 OS3 SLES 1 -37.4619 -3.23982 22.373 O2L 3080 0 0 0 -0.65 3086 3084 OS4 SLES 1 -36.9453 -2.42893 20.2006 O2L 3080 0 0 0 -0.65 3087 3085 C2 SLES 1 -34.8352 -4.27029 20.1059 CC32A 3081 3086 3087 3088 -0.11 3088 3086 H2A SLES 1 -35.2548 -4.17209 19.0659 HCA2 3085 0 0 0 0.09 3089 3087 H2B SLES 1 -34.4317 -3.27166 20.4317 HCA2 3085 0 0 0 0.09 3090 3088 C1 SLES 1 -33.6589 -5.35758 20.1134 CC32A 3085 3089 3090 3091 -0.01 3091 3089 H1B SLES 1 -34.0724 -6.365 19.8769 HCA2 3088 0 0 0 0.09 3092 3090 H1A SLES 1 -33.1809 -5.39266 21.12 HCA2 3088 0 0 0 0.09 3093 3091 O1 SLES 1 -32.527 -5.2319 19.1749 OC30A 3088 3092 0 0 -0.34 3094 3092 C2 SLES 1 -32.326 -3.93435 18.576 CC32A 3091 3093 3094 3095 -0.01 3095 3093 H2A SLES 1 -33.2789 -3.78777 18.0307 HCA2 3092 0 0 0 0.09 3096 3094 H2B SLES 1 -32.3127 -3.26079 19.4623 HCA2 3092 0 0 0 0.09 3097 3095 C1 SLES 1 -31.1296 -3.58664 17.6353 CC32A 3092 3096 3097 3098 -0.01 3098 3096 H1B SLES 1 -31.4142 -3.78246 16.5785 HCA2 3095 0 0 0 0.09 3099 3097 H1A SLES 1 -30.8801 -2.512 17.7425 HCA2 3095 0 0 0 0.09 3100 3098 O1 SLES 1 -29.8419 -4.28111 17.6831 OC30A 3095 3099 0 0 -0.34 3101 3099 C1 SLES 1 -28.6789 -3.46593 17.2871 CTL2 3098 3100 3101 3102 -0.18 3102 3100 H11 SLES 1 -29.0708 -2.52988 16.8496 HAL2 3099 0 0 0 0.09 3103 3101 H12 SLES 1 -28.2287 -3.23578 18.2748 HAL2 3099 0 0 0 0.09 3104 3102 C2 SLES 1 -27.583 -4.0807 16.3293 CTL2 3099 3103 3104 3105 -0.18 3105 3103 H21 SLES 1 -27.8895 -5.11037 16.0383 HAL2 3102 0 0 0 0.09 3106 3104 H22 SLES 1 -26.6203 -4.15305 16.8811 HAL2 3102 0 0 0 0.09 3107 3105 C3 SLES 1 -27.3646 -3.20405 15.0018 CTL2 3102 3106 3107 3108 -0.18 3108 3106 H31 SLES 1 -27.8634 -3.71259 14.1469 HAL2 3105 0 0 0 0.09 3109 3107 H32 SLES 1 -27.8473 -2.21578 15.1379 HAL2 3105 0 0 0 0.09 3110 3108 C4 SLES 1 -25.8351 -2.98511 14.6483 CTL2 3105 3109 3110 3111 -0.18 3111 3109 H41 SLES 1 -25.5542 -3.67404 13.8245 HAL2 3108 0 0 0 0.09 3112 3110 H42 SLES 1 -25.2155 -3.24079 15.5347 HAL2 3108 0 0 0 0.09 3113 3111 C5 SLES 1 -25.515 -1.48583 14.2073 CTL2 3108 3112 3113 3114 -0.18 3114 3112 H51 SLES 1 -26.4642 -0.980663 13.9222 HAL2 3111 0 0 0 0.09 3115 3113 H52 SLES 1 -25.0826 -0.93709 15.075 HAL2 3111 0 0 0 0.09 3116 3114 C6 SLES 1 -24.5104 -1.40333 12.9968 CTL2 3111 3115 3116 3117 -0.18 3117 3115 H61 SLES 1 -25.0318 -1.73099 12.0696 HAL2 3114 0 0 0 0.09 3118 3116 H62 SLES 1 -24.1975 -0.342112 12.8577 HAL2 3114 0 0 0 0.09 3119 3117 C7 SLES 1 -23.2385 -2.28508 13.2045 CTL2 3114 3118 3119 3120 -0.18 3120 3118 H71 SLES 1 -23.481 -3.33891 12.943 HAL2 3117 0 0 0 0.09 3121 3119 H72 SLES 1 -22.9468 -2.25592 14.278 HAL2 3117 0 0 0 0.09 3122 3120 C8 SLES 1 -22.0398 -1.81591 12.3428 CTL2 3117 3121 3122 3123 -0.18 3123 3121 H81 SLES 1 -22.3911 -1.62689 11.3025 HAL2 3120 0 0 0 0.09 3124 3122 H82 SLES 1 -21.6495 -0.857081 12.7537 HAL2 3120 0 0 0 0.09 3125 3123 C9 SLES 1 -20.8925 -2.85649 12.3084 CTL2 3120 3124 3125 3126 -0.18 3126 3124 H91 SLES 1 -21.2907 -3.82343 11.9252 HAL2 3123 0 0 0 0.09 3127 3125 H92 SLES 1 -20.5233 -3.02391 13.3453 HAL2 3123 0 0 0 0.09 3128 3126 C10 SLES 1 -19.7093 -2.40991 11.4174 CTL2 3123 3127 3128 3129 -0.18 3129 3127 H10 SLES 1 -20.0737 -2.26489 10.3748 HAL2 3126 0 0 0 0.09 3130 3128 H10 SLES 1 -19.3249 -1.43218 11.7865 HAL2 3126 0 0 0 0.09 3131 3129 C11 SLES 1 -18.5491 -3.44041 11.4098 CTL2 3126 3130 3131 3132 -0.18 3132 3130 H11 SLES 1 -18.9371 -4.41456 11.0334 HAL2 3129 0 0 0 0.09 3133 3131 H11 SLES 1 -18.2003 -3.59548 12.4563 HAL2 3129 0 0 0 0.09 3134 3132 C12 SLES 1 -17.3399 -3.01365 10.5379 CTL3 3129 3133 3134 3135 -0.27 3135 3133 H12 SLES 1 -17.1547 -3.7655 9.73933 HAL3 3132 0 0 0 0.09 3136 3134 H12 SLES 1 -16.4238 -2.92772 11.1631 HAL3 3132 0 0 0 0.09 3137 3135 H12 SLES 1 -17.5358 -2.02942 10.0594 HAL3 3132 0 0 0 0.09 3138 3136 NA SLES 1 -37.1488 6.56273 22.9995 NA 0 0 0 0 1 3139 3137 S SLES 1 -36.6436 9.00303 20.3274 SL 3138 3139 3140 3141 1.33 3140 3138 OS1 SLES 1 -35.5511 7.79723 20.7272 OSL 3137 3142 0 0 -0.28 3141 3139 OS2 SLES 1 -37.8874 8.33587 20.0028 O2L 3137 0 0 0 -0.65 3142 3140 OS3 SLES 1 -36.8123 9.80556 21.5207 O2L 3137 0 0 0 -0.65 3143 3141 OS4 SLES 1 -36.2302 9.84713 19.2179 O2L 3137 0 0 0 -0.65 3144 3142 C2 SLES 1 -34.4622 7.73009 19.7123 CC32A 3138 3143 3144 3145 -0.11 3145 3143 H2A SLES 1 -34.8893 7.5895 18.6803 HCA2 3142 0 0 0 0.09 3146 3144 H2B SLES 1 -33.8878 8.69731 19.7402 HCA2 3142 0 0 0 0.09 3147 3145 C1 SLES 1 -33.4851 6.51031 20.0634 CC32A 3142 3146 3147 3148 -0.01 3148 3146 H1B SLES 1 -34.0682 5.56261 20.1233 HCA2 3145 0 0 0 0.09 3149 3147 H1A SLES 1 -32.9908 6.69073 21.0464 HCA2 3145 0 0 0 0.09 3150 3148 O1 SLES 1 -32.3757 6.1635 19.1541 OC30A 3145 3149 0 0 -0.34 3151 3149 C2 SLES 1 -31.9775 7.17615 18.2061 CC32A 3148 3150 3151 3152 -0.01 3152 3150 H2A SLES 1 -32.9077 7.31555 17.6212 HCA2 3149 0 0 0 0.09 3153 3151 H2B SLES 1 -31.8258 8.0669 18.8565 HCA2 3149 0 0 0 0.09 3154 3152 C1 SLES 1 -30.7675 7.02681 17.231 CC32A 3149 3153 3154 3155 -0.01 3155 3153 H1B SLES 1 -31.1113 6.58175 16.272 HCA2 3152 0 0 0 0.09 3156 3154 H1A SLES 1 -30.3384 8.0277 17.0244 HCA2 3152 0 0 0 0.09 3157 3155 O1 SLES 1 -29.6135 6.16981 17.5081 OC30A 3152 3156 0 0 -0.34 3158 3156 C1 SLES 1 -28.3422 6.62532 16.9162 CTL2 3155 3157 3158 3159 -0.18 3159 3157 H11 SLES 1 -28.5842 7.44478 16.2154 HAL2 3156 0 0 0 0.09 3160 3158 H12 SLES 1 -27.8315 7.0546 17.8028 HAL2 3156 0 0 0 0.09 3161 3159 C2 SLES 1 -27.3931 5.58192 16.2044 CTL2 3156 3160 3161 3162 -0.18 3162 3160 H21 SLES 1 -27.876 4.57928 16.221 HAL2 3159 0 0 0 0.09 3163 3161 H22 SLES 1 -26.4405 5.51261 16.774 HAL2 3159 0 0 0 0.09 3164 3162 C3 SLES 1 -27.0693 5.98251 14.6835 CTL2 3159 3163 3164 3165 -0.18 3165 3163 H31 SLES 1 -27.6708 5.33817 14.0043 HAL2 3162 0 0 0 0.09 3166 3164 H32 SLES 1 -27.3754 7.03406 14.5138 HAL2 3162 0 0 0 0.09 3167 3165 C4 SLES 1 -25.5356 5.82733 14.3147 CTL2 3162 3166 3167 3168 -0.18 3168 3166 H41 SLES 1 -25.3981 4.89074 13.7351 HAL2 3165 0 0 0 0.09 3169 3167 H42 SLES 1 -24.9422 5.74107 15.2504 HAL2 3165 0 0 0 0.09 3170 3168 C5 SLES 1 -24.9816 7.05591 13.4612 CTL2 3165 3169 3170 3171 -0.18 3171 3169 H51 SLES 1 -25.8406 7.6083 13.0202 HAL2 3168 0 0 0 0.09 3172 3170 H52 SLES 1 -24.4384 7.75301 14.1394 HAL2 3168 0 0 0 0.09 3173 3171 C6 SLES 1 -24.0128 6.61046 12.3018 CTL2 3168 3172 3173 3174 -0.18 3174 3172 H61 SLES 1 -24.6083 6.11908 11.5 HAL2 3171 0 0 0 0.09 3175 3173 H62 SLES 1 -23.5306 7.51604 11.8649 HAL2 3171 0 0 0 0.09 3176 3174 C7 SLES 1 -22.9012 5.62653 12.7862 CTL2 3171 3175 3176 3177 -0.18 3177 3175 H71 SLES 1 -23.3244 4.59899 12.8394 HAL2 3174 0 0 0 0.09 3178 3176 H72 SLES 1 -22.5778 5.91839 13.8102 HAL2 3174 0 0 0 0.09 3179 3177 C8 SLES 1 -21.6663 5.61425 11.8511 CTL2 3174 3178 3179 3180 -0.18 3180 3178 H81 SLES 1 -22.0108 5.54752 10.7936 HAL2 3177 0 0 0 0.09 3181 3179 H82 SLES 1 -21.109 6.57107 11.9717 HAL2 3177 0 0 0 0.09 3182 3180 C9 SLES 1 -20.7111 4.43108 12.1478 CTL2 3177 3181 3182 3183 -0.18 3183 3181 H91 SLES 1 -21.2766 3.47604 12.0559 HAL2 3180 0 0 0 0.09 3184 3182 H92 SLES 1 -20.3454 4.51412 13.1961 HAL2 3180 0 0 0 0.09 3185 3183 C10 SLES 1 -19.496 4.39157 11.191 CTL2 3180 3184 3185 3186 -0.18 3186 3184 H10 SLES 1 -19.8609 4.28498 10.144 HAL2 3183 0 0 0 0.09 3187 3185 H10 SLES 1 -18.9426 5.35498 11.2661 HAL2 3183 0 0 0 0.09 3188 3186 C11 SLES 1 -18.5257 3.22356 11.5107 CTL2 3183 3187 3188 3189 -0.18 3189 3187 H11 SLES 1 -19.0821 2.26199 11.4277 HAL2 3186 0 0 0 0.09 3190 3188 H11 SLES 1 -18.1777 3.32446 12.5641 HAL2 3186 0 0 0 0.09 3191 3189 C12 SLES 1 -17.2877 3.16661 10.5787 CTL3 3186 3190 3191 3192 -0.27 3192 3190 H12 SLES 1 -17.2543 2.19429 10.0394 HAL3 3189 0 0 0 0.09 3193 3191 H12 SLES 1 -16.3526 3.27563 11.1711 HAL3 3189 0 0 0 0.09 3194 3192 H12 SLES 1 -17.3297 3.98639 9.82879 HAL3 3189 0 0 0 0.09 3195 3193 NA SLES 1 -32.4705 19.2107 22.9935 NA 0 0 0 0 1 3196 3194 S SLES 1 -31.9299 20.7148 19.7077 SL 3195 3196 3197 3198 1.33 3197 3195 OS1 SLES 1 -30.998 19.478 20.3476 OSL 3194 3199 0 0 -0.28 3198 3196 OS2 SLES 1 -33.2936 20.2278 19.6832 O2L 3194 0 0 0 -0.65 3199 3197 OS3 SLES 1 -31.8194 21.8227 20.6334 O2L 3194 0 0 0 -0.65 3200 3198 OS4 SLES 1 -31.5324 21.1415 18.3757 O2L 3194 0 0 0 -0.65 3201 3199 C2 SLES 1 -30.0695 18.9427 19.3124 CC32A 3195 3200 3201 3202 -0.11 3202 3200 H2A SLES 1 -30.6398 18.6143 18.3991 HCA2 3199 0 0 0 0.09 3203 3201 H2B SLES 1 -29.3519 19.7587 19.02 HCA2 3199 0 0 0 0.09 3204 3202 C1 SLES 1 -29.259 17.7011 19.9187 CC32A 3199 3203 3204 3205 -0.01 3205 3203 H1B SLES 1 -29.9711 16.9286 20.2901 HCA2 3202 0 0 0 0.09 3206 3204 H1A SLES 1 -28.6229 18.0417 20.7686 HCA2 3202 0 0 0 0.09 3207 3205 O1 SLES 1 -28.341 16.9256 19.0622 OC30A 3202 3206 0 0 -0.34 3208 3206 C2 SLES 1 -27.9117 17.5576 17.8379 CC32A 3205 3207 3208 3209 -0.01 3209 3207 H2A SLES 1 -28.8747 17.7062 17.3113 HCA2 3206 0 0 0 0.09 3210 3208 H2B SLES 1 -27.5419 18.5451 18.1948 HCA2 3206 0 0 0 0.09 3211 3209 C1 SLES 1 -26.8724 16.9327 16.8547 CC32A 3206 3210 3211 3212 -0.01 3212 3210 H1B SLES 1 -27.3995 16.3202 16.0911 HCA2 3209 0 0 0 0.09 3213 3211 H1A SLES 1 -26.3214 17.745 16.3398 HCA2 3209 0 0 0 0.09 3214 3212 O1 SLES 1 -25.8412 15.9818 17.2735 OC30A 3209 3213 0 0 -0.34 3215 3213 C1 SLES 1 -24.599 16.0197 16.48 CTL2 3212 3214 3215 3216 -0.18 3216 3214 H11 SLES 1 -24.796 16.6533 15.5963 HAL2 3213 0 0 0 0.09 3217 3215 H12 SLES 1 -23.9199 16.567 17.166 HAL2 3213 0 0 0 0.09 3218 3216 C2 SLES 1 -23.9221 14.6674 16.0226 CTL2 3213 3217 3218 3219 -0.18 3219 3217 H21 SLES 1 -24.55 13.8128 16.3605 HAL2 3216 0 0 0 0.09 3220 3218 H22 SLES 1 -22.9281 14.5769 16.5129 HAL2 3216 0 0 0 0.09 3221 3219 C3 SLES 1 -23.7336 14.5818 14.4302 CTL2 3216 3220 3221 3222 -0.18 3222 3220 H31 SLES 1 -24.5091 13.903 14.0106 HAL2 3219 0 0 0 0.09 3223 3221 H32 SLES 1 -23.8902 15.5881 13.9932 HAL2 3219 0 0 0 0.09 3224 3222 C4 SLES 1 -22.3019 14.0527 14.0031 CTL2 3219 3223 3224 3225 -0.18 3225 3223 H41 SLES 1 -22.3867 12.987 13.7044 HAL2 3222 0 0 0 0.09 3226 3224 H42 SLES 1 -21.6163 14.11 14.8759 HAL2 3222 0 0 0 0.09 3227 3225 C5 SLES 1 -21.6743 14.8852 12.7957 CTL2 3222 3226 3227 3228 -0.18 3228 3226 H51 SLES 1 -22.4848 15.4495 12.2838 HAL2 3225 0 0 0 0.09 3229 3227 H52 SLES 1 -20.9477 15.6244 13.2038 HAL2 3225 0 0 0 0.09 3230 3228 C6 SLES 1 -20.9408 13.9758 11.7391 CTL2 3225 3229 3230 3231 -0.18 3231 3229 H61 SLES 1 -21.702 13.408 11.1584 HAL2 3228 0 0 0 0.09 3232 3230 H62 SLES 1 -20.3817 14.6269 11.0271 HAL2 3228 0 0 0 0.09 3233 3231 C7 SLES 1 -19.9449 12.9679 12.3953 CTL2 3228 3232 3233 3234 -0.18 3234 3232 H71 SLES 1 -20.5136 12.0884 12.7707 HAL2 3231 0 0 0 0.09 3235 3233 H72 SLES 1 -19.4536 13.4565 13.266 HAL2 3231 0 0 0 0.09 3236 3234 C8 SLES 1 -18.8548 12.4787 11.4095 CTL2 3231 3235 3236 3237 -0.18 3237 3235 H81 SLES 1 -19.3358 12.1981 10.4445 HAL2 3234 0 0 0 0.09 3238 3236 H82 SLES 1 -18.1439 13.3126 11.21 HAL2 3234 0 0 0 0.09 3239 3237 C9 SLES 1 -18.0669 11.2613 11.9551 CTL2 3234 3238 3239 3240 -0.18 3240 3238 H91 SLES 1 -18.7819 10.4382 12.1822 HAL2 3237 0 0 0 0.09 3241 3239 H92 SLES 1 -17.5637 11.551 12.905 HAL2 3237 0 0 0 0.09 3242 3240 C10 SLES 1 -17.0031 10.7443 10.9578 CTL2 3237 3241 3242 3243 -0.18 3243 3241 H10 SLES 1 -17.5091 10.4325 10.0157 HAL2 3240 0 0 0 0.09 3244 3242 H10 SLES 1 -16.3008 11.573 10.7131 HAL2 3240 0 0 0 0.09 3245 3243 C11 SLES 1 -16.1952 9.54458 11.5199 CTL2 3240 3244 3245 3246 -0.18 3246 3244 H11 SLES 1 -16.9012 8.71596 11.7566 HAL2 3243 0 0 0 0.09 3247 3245 H11 SLES 1 -15.7059 9.85576 12.471 HAL2 3243 0 0 0 0.09 3248 3246 C12 SLES 1 -15.1086 9.01335 10.5494 CTL3 3243 3247 3248 3249 -0.27 3249 3247 H12 SLES 1 -15.2959 7.9439 10.3075 HAL3 3246 0 0 0 0.09 3250 3248 H12 SLES 1 -14.1009 9.10079 11.0123 HAL3 3246 0 0 0 0.09 3251 3249 H12 SLES 1 -15.1158 9.59714 9.60324 HAL3 3246 0 0 0 0.09 3252 3250 NA SLES 1 -23.6699 29.5616 22.7582 NA 0 0 0 0 1 3253 3251 S SLES 1 -23.6034 30.2104 19.163 SL 3252 3253 3254 3255 1.33 3254 3252 OS1 SLES 1 -22.7575 28.9768 19.9182 OSL 3251 3256 0 0 -0.28 3255 3253 OS2 SLES 1 -25.0001 30.0053 19.4866 O2L 3251 0 0 0 -0.65 3256 3254 OS3 SLES 1 -23.1357 31.4438 19.7602 O2L 3251 0 0 0 -0.65 3257 3255 OS4 SLES 1 -23.4319 30.2632 17.72 O2L 3251 0 0 0 -0.65 3258 3256 C2 SLES 1 -22.1572 28.0661 18.9031 CC32A 3252 3257 3258 3259 -0.11 3259 3257 H2A SLES 1 -22.9482 27.6721 18.2058 HCA2 3256 0 0 0 0.09 3260 3258 H2B SLES 1 -21.4008 28.6465 18.3053 HCA2 3256 0 0 0 0.09 3261 3259 C1 SLES 1 -21.4363 26.8446 19.6476 CC32A 3256 3260 3261 3262 -0.01 3262 3260 H1B SLES 1 -22.1642 26.3213 20.3094 HCA2 3259 0 0 0 0.09 3263 3261 H1A SLES 1 -20.5929 27.2241 20.2703 HCA2 3259 0 0 0 0.09 3264 3262 O1 SLES 1 -20.8453 25.743 18.8633 OC30A 3259 3263 0 0 -0.34 3265 3263 C2 SLES 1 -20.5895 26.0088 17.4681 CC32A 3262 3264 3265 3266 -0.01 3266 3264 H2A SLES 1 -21.6071 26.2295 17.0905 HCA2 3263 0 0 0 0.09 3267 3265 H2B SLES 1 -20.008 26.9573 17.5075 HCA2 3263 0 0 0 0.09 3268 3266 C1 SLES 1 -19.8849 25.0013 16.5059 CC32A 3263 3267 3268 3269 -0.01 3269 3267 H1B SLES 1 -20.6462 24.358 16.0133 HCA2 3266 0 0 0 0.09 3270 3268 H1A SLES 1 -19.3365 25.5643 15.7244 HCA2 3266 0 0 0 0.09 3271 3269 O1 SLES 1 -18.9457 23.9761 16.9637 OC30A 3266 3270 0 0 -0.34 3272 3270 C1 SLES 1 -17.905 23.6037 15.9879 CTL2 3269 3271 3272 3273 -0.18 3273 3271 H11 SLES 1 -18.1831 24.0646 15.0229 HAL2 3270 0 0 0 0.09 3274 3272 H12 SLES 1 -17.0229 24.1386 16.3966 HAL2 3270 0 0 0 0.09 3275 3273 C2 SLES 1 -17.5514 22.08 15.7653 CTL2 3270 3274 3275 3276 -0.18 3276 3274 H21 SLES 1 -18.2175 21.4546 16.4009 HAL2 3273 0 0 0 0.09 3277 3275 H22 SLES 1 -16.5026 21.9013 16.089 HAL2 3273 0 0 0 0.09 3278 3276 C3 SLES 1 -17.7139 21.6283 14.2329 CTL2 3273 3277 3278 3279 -0.18 3279 3277 H31 SLES 1 -18.6536 21.0419 14.1268 HAL2 3276 0 0 0 0.09 3280 3278 H32 SLES 1 -17.8034 22.5319 13.5975 HAL2 3276 0 0 0 0.09 3281 3279 C4 SLES 1 -16.4997 20.7521 13.713 CTL2 3276 3280 3281 3282 -0.18 3282 3280 H41 SLES 1 -16.8056 19.6852 13.7003 HAL2 3279 0 0 0 0.09 3283 3281 H42 SLES 1 -15.6469 20.8554 14.4179 HAL2 3279 0 0 0 0.09 3284 3282 C5 SLES 1 -16.0184 21.1748 12.252 CTL2 3279 3283 3284 3285 -0.18 3285 3283 H51 SLES 1 -16.8224 21.7671 11.762 HAL2 3282 0 0 0 0.09 3286 3284 H52 SLES 1 -15.1191 21.8263 12.3407 HAL2 3282 0 0 0 0.09 3287 3285 C6 SLES 1 -15.6677 19.9392 11.3399 CTL2 3282 3286 3287 3288 -0.18 3288 3286 H61 SLES 1 -16.6104 19.4227 11.0506 HAL2 3285 0 0 0 0.09 3289 3287 H62 SLES 1 -15.177 20.305 10.4078 HAL2 3285 0 0 0 0.09 3290 3288 C7 SLES 1 -14.7218 18.9159 12.0444 CTL2 3285 3289 3290 3291 -0.18 3291 3289 H71 SLES 1 -15.3266 18.2628 12.7119 HAL2 3288 0 0 0 0.09 3292 3290 H72 SLES 1 -13.9916 19.4699 12.6754 HAL2 3288 0 0 0 0.09 3293 3291 C8 SLES 1 -13.948 18.0279 11.0382 CTL2 3288 3292 3293 3294 -0.18 3294 3292 H81 SLES 1 -14.6564 17.6515 10.2649 HAL2 3291 0 0 0 0.09 3295 3293 H82 SLES 1 -13.1761 18.6463 10.526 HAL2 3291 0 0 0 0.09 3296 3294 C9 SLES 1 -13.2579 16.8215 11.7227 CTL2 3291 3295 3296 3297 -0.18 3297 3295 H91 SLES 1 -14.0264 16.2201 12.2594 HAL2 3294 0 0 0 0.09 3298 3296 H92 SLES 1 -12.5299 17.1991 12.4756 HAL2 3294 0 0 0 0.09 3299 3297 C10 SLES 1 -12.5163 15.9096 10.7167 CTL2 3294 3298 3299 3300 -0.18 3300 3298 H10 SLES 1 -13.2486 15.513 9.97704 HAL2 3297 0 0 0 0.09 3301 3299 H10 SLES 1 -11.7628 16.5152 10.164 HAL2 3297 0 0 0 0.09 3302 3300 C11 SLES 1 -11.8006 14.7195 11.4092 CTL2 3297 3301 3302 3303 -0.18 3303 3301 H11 SLES 1 -12.5593 14.1131 11.9549 HAL2 3300 0 0 0 0.09 3304 3302 H11 SLES 1 -11.0826 15.1207 12.1604 HAL2 3300 0 0 0 0.09 3305 3303 C12 SLES 1 -11.0335 13.7953 10.4285 CTL3 3300 3304 3305 3306 -0.27 3306 3304 H12 SLES 1 -11.4272 12.7566 10.4883 HAL3 3303 0 0 0 0.09 3307 3305 H12 SLES 1 -9.95015 13.7787 10.6804 HAL3 3303 0 0 0 0.09 3308 3306 H12 SLES 1 -11.1488 14.1583 9.38401 HAL3 3303 0 0 0 0.09 3309 3307 NA SLES 1 -11.8053 36.2892 22.2669 NA 0 0 0 0 1 3310 3308 S SLES 1 -12.5991 36.4478 18.7038 SL 3309 3310 3311 3312 1.33 3311 3309 OS1 SLES 1 -11.7867 35.1791 19.4372 OSL 3308 3313 0 0 -0.28 3312 3310 OS2 SLES 1 -13.8731 36.5637 19.3827 O2L 3308 0 0 0 -0.65 3313 3311 OS3 SLES 1 -11.8017 37.6315 18.9481 O2L 3308 0 0 0 -0.65 3314 3312 OS4 SLES 1 -12.8125 36.2812 17.2752 O2L 3308 0 0 0 -0.65 3315 3313 C2 SLES 1 -11.6293 34.0462 18.4821 CC32A 3309 3314 3315 3316 -0.11 3316 3314 H2A SLES 1 -12.6292 33.7292 18.0737 HCA2 3313 0 0 0 0.09 3317 3315 H2B SLES 1 -10.9784 34.3858 17.6293 HCA2 3313 0 0 0 0.09 3318 3316 C1 SLES 1 -10.9367 32.8124 19.2331 CC32A 3313 3317 3318 3319 -0.01 3319 3317 H1B SLES 1 -11.5345 32.5309 20.1304 HCA2 3316 0 0 0 0.09 3320 3318 H1A SLES 1 -9.90915 33.0955 19.5603 HCA2 3316 0 0 0 0.09 3321 3319 O1 SLES 1 -10.7566 31.5253 18.5339 OC30A 3316 3320 0 0 -0.34 3322 3320 C2 SLES 1 -10.8437 31.5553 17.0937 CC32A 3319 3321 3322 3323 -0.01 3323 3321 H2A SLES 1 -11.8775 31.9212 16.9381 HCA2 3320 0 0 0 0.09 3324 3322 H2B SLES 1 -10.1315 32.3685 16.8274 HCA2 3320 0 0 0 0.09 3325 3323 C1 SLES 1 -10.5882 30.3148 16.181 CC32A 3320 3324 3325 3326 -0.01 3326 3324 H1B SLES 1 -11.5444 29.7757 16.0044 HCA2 3323 0 0 0 0.09 3327 3325 H1A SLES 1 -10.1868 30.6548 15.2054 HCA2 3323 0 0 0 0.09 3328 3326 O1 SLES 1 -9.7337 29.1923 16.5718 OC30A 3323 3327 0 0 -0.34 3329 3327 C1 SLES 1 -9.06261 28.5015 15.4554 CTL2 3326 3328 3329 3330 -0.18 3330 3328 H11 SLES 1 -9.51216 28.8809 14.5199 HAL2 3327 0 0 0 0.09 3331 3329 H12 SLES 1 -8.03092 28.9008 15.5418 HAL2 3327 0 0 0 0.09 3332 3330 C2 SLES 1 -9.02466 26.9224 15.4228 CTL2 3327 3331 3332 3333 -0.18 3333 3331 H21 SLES 1 -9.58663 26.5261 16.2981 HAL2 3330 0 0 0 0.09 3334 3332 H22 SLES 1 -7.96905 26.5843 15.5122 HAL2 3330 0 0 0 0.09 3335 3333 C3 SLES 1 -9.65858 26.3194 14.0764 CTL2 3330 3334 3335 3336 -0.18 3336 3334 H31 SLES 1 -10.6725 25.92 14.3017 HAL2 3333 0 0 0 0.09 3337 3335 H32 SLES 1 -9.77156 27.1343 13.3338 HAL2 3333 0 0 0 0.09 3338 3336 C4 SLES 1 -8.78003 25.163 13.4414 CTL2 3333 3337 3338 3339 -0.18 3339 3337 H41 SLES 1 -9.2416 24.1841 13.6879 HAL2 3336 0 0 0 0.09 3340 3338 H42 SLES 1 -7.76483 25.1862 13.8929 HAL2 3336 0 0 0 0.09 3341 3339 C5 SLES 1 -8.64564 25.2929 11.8572 CTL2 3336 3340 3341 3342 -0.18 3342 3340 H51 SLES 1 -9.44805 25.9639 11.4785 HAL2 3339 0 0 0 0.09 3343 3341 H52 SLES 1 -7.6647 25.7613 11.6136 HAL2 3339 0 0 0 0.09 3344 3342 C6 SLES 1 -8.74912 23.9064 11.1167 CTL2 3339 3343 3344 3345 -0.18 3345 3343 H61 SLES 1 -9.80366 23.5522 11.1555 HAL2 3342 0 0 0 0.09 3346 3344 H62 SLES 1 -8.47362 24.0467 10.0453 HAL2 3342 0 0 0 0.09 3347 3345 C7 SLES 1 -7.82221 22.816 11.7411 CTL2 3342 3346 3347 3348 -0.18 3348 3346 H71 SLES 1 -8.32171 22.3849 12.637 HAL2 3345 0 0 0 0.09 3349 3347 H72 SLES 1 -6.87266 23.292 12.073 HAL2 3345 0 0 0 0.09 3350 3348 C8 SLES 1 -7.49386 21.6724 10.7491 CTL2 3345 3349 3350 3351 -0.18 3351 3349 H81 SLES 1 -8.43268 21.3466 10.2453 HAL2 3348 0 0 0 0.09 3352 3350 H82 SLES 1 -6.79949 22.0568 9.96766 HAL2 3348 0 0 0 0.09 3353 3351 C9 SLES 1 -6.84424 20.4515 11.4475 CTL2 3348 3352 3353 3354 -0.18 3354 3352 H91 SLES 1 -7.52623 20.0861 12.2485 HAL2 3351 0 0 0 0.09 3355 3353 H92 SLES 1 -5.89198 20.7721 11.927 HAL2 3351 0 0 0 0.09 3356 3354 C10 SLES 1 -6.55018 19.2911 10.4675 CTL2 3351 3355 3356 3357 -0.18 3357 3355 H10 SLES 1 -7.50604 18.9546 10.0051 HAL2 3354 0 0 0 0.09 3358 3356 H10 SLES 1 -5.88611 19.6615 9.65403 HAL2 3354 0 0 0 0.09 3359 3357 C11 SLES 1 -5.87159 18.0822 11.1647 CTL2 3354 3358 3359 3360 -0.18 3360 3358 H11 SLES 1 -6.5426 17.7111 11.9728 HAL2 3357 0 0 0 0.09 3361 3359 H11 SLES 1 -4.9255 18.4274 11.6408 HAL2 3357 0 0 0 0.09 3362 3360 C12 SLES 1 -5.54849 16.9079 10.2049 CTL3 3357 3361 3362 3363 -0.27 3363 3361 H12 SLES 1 -6.06979 15.9829 10.5366 HAL3 3360 0 0 0 0.09 3364 3362 H12 SLES 1 -4.45371 16.7115 10.1892 HAL3 3360 0 0 0 0.09 3365 3363 H12 SLES 1 -5.87979 17.1501 9.17157 HAL3 3360 0 0 0 0.09 3366 3364 NA SLES 1 1.64705 38.5509 21.522 NA 0 0 0 0 1 3367 3365 S SLES 1 -0.12208 38.7425 18.3308 SL 3366 3367 3368 3369 1.33 3368 3366 OS1 SLES 1 0.641536 37.3677 18.9088 OSL 3365 3370 0 0 -0.28 3369 3367 OS2 SLES 1 -1.10026 39.1173 19.3308 O2L 3365 0 0 0 -0.65 3370 3368 OS3 SLES 1 0.901446 39.7624 18.2368 O2L 3365 0 0 0 -0.65 3371 3369 OS4 SLES 1 -0.772088 38.5736 17.041 O2L 3365 0 0 0 -0.65 3372 3370 C2 SLES 1 0.315045 36.1956 18.0486 CC32A 3366 3371 3372 3373 -0.11 3373 3371 H2A SLES 1 -0.799556 36.0594 17.9693 HCA2 3370 0 0 0 0.09 3374 3372 H2B SLES 1 0.733646 36.3795 17.0204 HCA2 3370 0 0 0 0.09 3375 3373 C1 SLES 1 0.977108 34.8781 18.6745 CC32A 3370 3374 3375 3376 -0.01 3376 3374 H1B SLES 1 0.631426 34.7427 19.7252 HCA2 3373 0 0 0 0.09 3377 3375 H1A SLES 1 2.088 34.9733 18.6712 HCA2 3373 0 0 0 0.09 3378 3376 O1 SLES 1 0.721096 33.5585 18.0654 OC30A 3373 3377 0 0 -0.34 3379 3377 C2 SLES 1 0.219969 33.5586 16.7121 CC32A 3376 3378 3379 3380 -0.01 3380 3378 H2A SLES 1 -0.735578 34.1071 16.8256 HCA2 3377 0 0 0 0.09 3381 3379 H2B SLES 1 0.949803 34.2145 16.1862 HCA2 3377 0 0 0 0.09 3382 3380 C1 SLES 1 -0.0202166 32.2637 15.8736 CC32A 3377 3381 3382 3383 -0.01 3383 3381 H1B SLES 1 -1.06323 31.9087 16.0223 HCA2 3380 0 0 0 0.09 3384 3382 H1A SLES 1 0.127751 32.491 14.7989 HCA2 3380 0 0 0 0.09 3385 3383 O1 SLES 1 0.707043 31.0137 16.1001 OC30A 3380 3384 0 0 -0.34 3386 3384 C1 SLES 1 0.891343 30.1739 14.9023 CTL2 3383 3385 3386 3387 -0.18 3387 3385 H11 SLES 1 0.257712 30.6011 14.104 HAL2 3384 0 0 0 0.09 3388 3386 H12 SLES 1 1.95496 30.3747 14.658 HAL2 3384 0 0 0 0.09 3389 3387 C2 SLES 1 0.648222 28.6155 14.9951 CTL2 3384 3388 3389 3390 -0.18 3390 3388 H21 SLES 1 0.310116 28.36 16.0243 HAL2 3387 0 0 0 0.09 3391 3389 H22 SLES 1 1.60948 28.0881 14.8097 HAL2 3387 0 0 0 0.09 3392 3390 C3 SLES 1 -0.447352 28.0999 13.9404 CTL2 3387 3391 3392 3393 -0.18 3393 3391 H31 SLES 1 -1.40242 27.9056 14.4775 HAL2 3390 0 0 0 0.09 3394 3392 H32 SLES 1 -0.633452 28.8975 13.1938 HAL2 3390 0 0 0 0.09 3395 3393 C4 SLES 1 -0.0054963 26.7794 13.1833 CTL2 3390 3394 3395 3396 -0.18 3396 3394 H41 SLES 1 -0.533772 25.913 13.6332 HAL2 3393 0 0 0 0.09 3397 3395 H42 SLES 1 1.08606 26.6257 13.3244 HAL2 3393 0 0 0 0.09 3398 3396 C5 SLES 1 -0.323739 26.8313 11.621 CTL2 3393 3397 3398 3399 -0.18 3399 3397 H51 SLES 1 -1.0754 27.6288 11.4298 HAL2 3396 0 0 0 0.09 3400 3398 H52 SLES 1 0.606714 27.099 11.07 HAL2 3396 0 0 0 0.09 3401 3399 C6 SLES 1 -0.875585 25.4661 11.0614 CTL2 3396 3400 3401 3402 -0.18 3402 3400 H61 SLES 1 -1.91611 25.3178 11.428 HAL2 3399 0 0 0 0.09 3403 3401 H62 SLES 1 -0.908284 25.518 9.94797 HAL2 3399 0 0 0 0.09 3404 3402 C7 SLES 1 -0.00595744 24.2413 11.4878 CTL2 3399 3403 3404 3405 -0.18 3405 3403 H71 SLES 1 -0.285182 23.9406 12.5219 HAL2 3402 0 0 0 0.09 3406 3404 H72 SLES 1 1.06581 24.5407 11.4946 HAL2 3402 0 0 0 0.09 3407 3405 C8 SLES 1 -0.184451 23.0255 10.5447 CTL2 3402 3406 3407 3408 -0.18 3408 3406 H81 SLES 1 -1.2712 22.8661 10.3577 HAL2 3405 0 0 0 0.09 3409 3407 H82 SLES 1 0.303753 23.2475 9.56844 HAL2 3405 0 0 0 0.09 3410 3408 C9 SLES 1 0.423981 21.7271 11.1314 CTL2 3405 3409 3410 3411 -0.18 3411 3409 H91 SLES 1 -0.0435681 21.522 12.1212 HAL2 3408 0 0 0 0.09 3412 3410 H92 SLES 1 1.51531 21.878 11.2918 HAL2 3408 0 0 0 0.09 3413 3411 C10 SLES 1 0.213921 20.5015 10.211 CTL2 3408 3412 3413 3414 -0.18 3414 3412 H10 SLES 1 -0.878482 20.3361 10.0693 HAL2 3411 0 0 0 0.09 3415 3413 H10 SLES 1 0.661811 20.7144 9.21397 HAL2 3411 0 0 0 0.09 3416 3414 C11 SLES 1 0.851269 19.2093 10.7873 CTL2 3411 3415 3416 3417 -0.18 3417 3415 H11 SLES 1 0.395161 18.9969 11.7813 HAL2 3414 0 0 0 0.09 3418 3416 H11 SLES 1 1.93999 19.3855 10.9441 HAL2 3414 0 0 0 0.09 3419 3417 C12 SLES 1 0.672091 17.9653 9.87911 CTL3 3414 3418 3419 3420 -0.27 3420 3418 H12 SLES 1 0.121964 17.1659 10.4228 HAL3 3417 0 0 0 0.09 3421 3419 H12 SLES 1 1.6634 17.5663 9.57023 HAL3 3417 0 0 0 0.09 3422 3420 H12 SLES 1 0.0974259 18.2325 8.96559 HAL3 3417 0 0 0 0.09 3423 3421 NA SLES 1 15.0202 36.1108 20.5544 NA 0 0 0 0 1 3424 3422 S SLES 1 12.473 36.8265 18.0345 SL 3423 3424 3425 3426 1.33 3425 3423 OS1 SLES 1 13.0982 35.3028 18.3424 OSL 3422 3427 0 0 -0.28 3426 3424 OS2 SLES 1 11.9145 37.2989 19.2845 O2L 3422 0 0 0 -0.65 3427 3425 OS3 SLES 1 13.5983 37.6544 17.6541 O2L 3422 0 0 0 -0.65 3428 3426 OS4 SLES 1 11.4582 36.8625 16.9937 O2L 3422 0 0 0 -0.65 3429 3427 C2 SLES 1 12.3226 34.2675 17.6029 CC32A 3423 3428 3429 3430 -0.11 3430 3428 H2A SLES 1 11.2279 34.3352 17.8562 HCA2 3427 0 0 0 0.09 3431 3429 H2B SLES 1 12.4528 34.4442 16.4992 HCA2 3427 0 0 0 0.09 3432 3430 C1 SLES 1 12.8772 32.8148 17.9873 CC32A 3427 3431 3432 3433 -0.01 3433 3431 H1B SLES 1 12.831 32.6713 19.0914 HCA2 3430 0 0 0 0.09 3434 3432 H1A SLES 1 13.9369 32.7131 17.6558 HCA2 3430 0 0 0 0.09 3435 3433 O1 SLES 1 12.2126 31.6052 17.4648 OC30A 3430 3434 0 0 -0.34 3436 3434 C2 SLES 1 11.3509 31.7851 16.3212 CC32A 3433 3435 3436 3437 -0.01 3437 3435 H2A SLES 1 10.59 32.4843 16.7201 HCA2 3434 0 0 0 0.09 3438 3436 H2B SLES 1 12.0073 32.3365 15.6109 HCA2 3434 0 0 0 0.09 3439 3437 C1 SLES 1 10.6395 30.6126 15.5753 CC32A 3434 3438 3439 3440 -0.01 3440 3438 H1B SLES 1 9.63666 30.4373 16.0222 HCA2 3437 0 0 0 0.09 3441 3439 H1A SLES 1 10.5104 30.8827 14.5081 HCA2 3437 0 0 0 0.09 3442 3440 O1 SLES 1 11.1524 29.2417 15.5598 OC30A 3437 3441 0 0 -0.34 3443 3441 C1 SLES 1 10.8211 28.4657 14.3506 CTL2 3440 3442 3443 3444 -0.18 3444 3442 H11 SLES 1 10.0759 29.0509 13.7819 HAL2 3441 0 0 0 0.09 3445 3443 H12 SLES 1 11.7866 28.4924 13.8043 HAL2 3441 0 0 0 0.09 3446 3444 C2 SLES 1 10.3267 26.9718 14.4915 CTL2 3441 3445 3446 3447 -0.18 3447 3445 H21 SLES 1 10.2588 26.7106 15.5713 HAL2 3444 0 0 0 0.09 3448 3446 H22 SLES 1 11.0761 26.2973 14.0225 HAL2 3444 0 0 0 0.09 3449 3447 C3 SLES 1 8.89639 26.7297 13.8029 CTL2 3444 3448 3449 3450 -0.18 3450 3448 H31 SLES 1 8.11867 26.6705 14.5966 HAL2 3447 0 0 0 0.09 3451 3449 H32 SLES 1 8.65583 27.5963 13.1553 HAL2 3447 0 0 0 0.09 3452 3450 C4 SLES 1 8.84382 25.4064 12.932 CTL2 3447 3451 3452 3453 -0.18 3453 3451 H41 SLES 1 8.31509 24.618 13.5073 HAL2 3450 0 0 0 0.09 3454 3452 H42 SLES 1 9.88027 25.0539 12.7409 HAL2 3450 0 0 0 0.09 3455 3453 C5 SLES 1 8.10314 25.6193 11.5353 CTL2 3450 3454 3455 3456 -0.18 3456 3454 H51 SLES 1 7.49234 26.5476 11.5859 HAL2 3453 0 0 0 0.09 3457 3455 H52 SLES 1 8.86752 25.7558 10.7365 HAL2 3453 0 0 0 0.09 3458 3456 C6 SLES 1 7.16657 24.4136 11.1472 CTL2 3453 3457 3458 3459 -0.18 3459 3457 H61 SLES 1 6.26801 24.4262 11.8041 HAL2 3456 0 0 0 0.09 3460 3458 H62 SLES 1 6.8237 24.5458 10.0944 HAL2 3456 0 0 0 0.09 3461 3459 C7 SLES 1 7.87572 23.0289 11.2807 CTL2 3456 3460 3461 3462 -0.18 3462 3460 H71 SLES 1 7.85606 22.7125 12.3471 HAL2 3459 0 0 0 0.09 3463 3461 H72 SLES 1 8.94 23.1338 10.9731 HAL2 3459 0 0 0 0.09 3464 3462 C8 SLES 1 7.2068 21.9302 10.4176 CTL2 3459 3463 3464 3465 -0.18 3465 3463 H81 SLES 1 6.1027 21.9775 10.5594 HAL2 3462 0 0 0 0.09 3466 3464 H82 SLES 1 7.42452 22.1285 9.34338 HAL2 3462 0 0 0 0.09 3467 3465 C9 SLES 1 7.70332 20.5082 10.7808 CTL2 3462 3466 3467 3468 -0.18 3468 3466 H91 SLES 1 7.51208 20.322 11.862 HAL2 3465 0 0 0 0.09 3469 3467 H92 SLES 1 8.80243 20.4536 10.612 HAL2 3465 0 0 0 0.09 3470 3468 C10 SLES 1 7.00949 19.404 9.94855 CTL2 3465 3469 3470 3471 -0.18 3471 3469 H10 SLES 1 5.91204 19.4434 10.1352 HAL2 3468 0 0 0 0.09 3472 3470 H10 SLES 1 7.18166 19.6019 8.86633 HAL2 3468 0 0 0 0.09 3473 3471 C11 SLES 1 7.53131 17.9838 10.2933 CTL2 3468 3472 3473 3474 -0.18 3474 3472 H11 SLES 1 7.35063 17.788 11.375 HAL2 3471 0 0 0 0.09 3475 3473 H11 SLES 1 8.63168 17.9547 10.1222 HAL2 3471 0 0 0 0.09 3476 3474 C12 SLES 1 6.86653 16.8552 9.46331 CTL3 3471 3475 3476 3477 -0.27 3477 3475 H12 SLES 1 6.35699 16.13 10.1355 HAL3 3474 0 0 0 0.09 3478 3476 H12 SLES 1 7.63263 16.3098 8.86915 HAL3 3474 0 0 0 0.09 3479 3477 H12 SLES 1 6.11325 17.2806 8.76493 HAL3 3474 0 0 0 0.09 3480 3478 NA SLES 1 26.7112 29.3508 19.4197 NA 0 0 0 0 1 3481 3479 S SLES 1 23.8132 30.8739 17.7972 SL 3480 3481 3482 3483 1.33 3482 3480 OS1 SLES 1 24.1728 29.2381 17.7513 OSL 3479 3484 0 0 -0.28 3483 3481 OS2 SLES 1 23.6945 31.2267 19.1969 O2L 3479 0 0 0 -0.65 3484 3482 OS3 SLES 1 24.951 31.553 17.2133 O2L 3479 0 0 0 -0.65 3485 3483 OS4 SLES 1 22.5988 31.2442 17.0883 O2L 3479 0 0 0 -0.65 3486 3484 C2 SLES 1 23.0427 28.478 17.1466 CC32A 3480 3485 3486 3487 -0.11 3487 3485 H2A SLES 1 22.084 28.6856 17.6988 HCA2 3484 0 0 0 0.09 3488 3486 H2B SLES 1 22.9248 28.8047 16.0763 HCA2 3484 0 0 0 0.09 3489 3487 C1 SLES 1 23.369 26.9107 17.2011 CC32A 3484 3488 3489 3490 -0.01 3490 3488 H1B SLES 1 23.5734 26.6024 18.2522 HCA2 3487 0 0 0 0.09 3491 3489 H1A SLES 1 24.268 26.6884 16.5802 HCA2 3487 0 0 0 0.09 3492 3490 O1 SLES 1 22.3631 25.9279 16.7537 OC30A 3487 3491 0 0 -0.34 3493 3491 C2 SLES 1 21.2971 26.4292 15.9202 CC32A 3490 3492 3493 3494 -0.01 3494 3492 H2A SLES 1 20.8191 27.1724 16.5881 HCA2 3491 0 0 0 0.09 3495 3493 H2B SLES 1 21.8519 26.97 15.1208 HCA2 3491 0 0 0 0.09 3496 3494 C1 SLES 1 20.1983 25.526 15.2766 CC32A 3491 3495 3496 3497 -0.01 3497 3495 H1B SLES 1 19.3258 25.4509 15.9615 HCA2 3494 0 0 0 0.09 3498 3496 H1A SLES 1 19.863 25.9808 14.323 HCA2 3494 0 0 0 0.09 3499 3497 O1 SLES 1 20.4014 24.1091 14.9697 OC30A 3494 3498 0 0 -0.34 3500 3498 C1 SLES 1 19.6266 23.6025 13.8221 CTL2 3497 3499 3500 3501 -0.18 3501 3499 H11 SLES 1 18.8975 24.3868 13.5494 HAL2 3498 0 0 0 0.09 3502 3500 H12 SLES 1 20.4086 23.5551 13.0363 HAL2 3498 0 0 0 0.09 3503 3501 C2 SLES 1 18.8906 22.2087 13.9299 CTL2 3498 3502 3503 3504 -0.18 3504 3502 H21 SLES 1 19.0444 21.7932 14.951 HAL2 3501 0 0 0 0.09 3505 3503 H22 SLES 1 19.3451 21.5026 13.2009 HAL2 3501 0 0 0 0.09 3506 3504 C3 SLES 1 17.3149 22.3213 13.6418 CTL2 3501 3505 3506 3507 -0.18 3507 3505 H31 SLES 1 16.766 22.2662 14.6083 HAL2 3504 0 0 0 0.09 3508 3506 H32 SLES 1 17.1007 23.308 13.185 HAL2 3504 0 0 0 0.09 3509 3507 C4 SLES 1 16.7777 21.1817 12.68 CTL2 3504 3508 3509 3510 -0.18 3510 3508 H41 SLES 1 16.2615 20.4106 13.2892 HAL2 3507 0 0 0 0.09 3511 3509 H42 SLES 1 17.639 20.6967 12.1722 HAL2 3507 0 0 0 0.09 3512 3510 C5 SLES 1 15.7693 21.7353 11.5749 CTL2 3507 3511 3512 3513 -0.18 3513 3511 H51 SLES 1 15.3925 22.7322 11.8939 HAL2 3510 0 0 0 0.09 3514 3512 H52 SLES 1 16.3199 21.8686 10.6157 HAL2 3510 0 0 0 0.09 3515 3513 C6 SLES 1 14.5405 20.7801 11.3316 CTL2 3510 3514 3515 3516 -0.18 3516 3514 H61 SLES 1 13.8576 20.8369 12.2087 HAL2 3513 0 0 0 0.09 3517 3515 H62 SLES 1 13.9786 21.1341 10.4358 HAL2 3513 0 0 0 0.09 3518 3516 C7 SLES 1 14.9639 19.2934 11.1112 CTL2 3513 3517 3518 3519 -0.18 3519 3517 H71 SLES 1 15.1488 18.8184 12.1001 HAL2 3516 0 0 0 0.09 3520 3518 H72 SLES 1 15.9152 19.2675 10.5344 HAL2 3516 0 0 0 0.09 3521 3519 C8 SLES 1 13.8909 18.4736 10.352 CTL2 3516 3520 3521 3522 -0.18 3522 3520 H81 SLES 1 12.8912 18.6807 10.7982 HAL2 3519 0 0 0 0.09 3523 3521 H82 SLES 1 13.8676 18.802 9.28792 HAL2 3519 0 0 0 0.09 3524 3522 C9 SLES 1 14.1632 16.9494 10.4056 CTL2 3519 3523 3524 3525 -0.18 3525 3523 H91 SLES 1 14.2158 16.6272 11.4704 HAL2 3522 0 0 0 0.09 3526 3524 H92 SLES 1 15.1499 16.7402 9.9344 HAL2 3522 0 0 0 0.09 3527 3525 C10 SLES 1 13.0733 16.1234 9.68225 CTL2 3522 3526 3527 3528 -0.18 3528 3526 H10 SLES 1 12.0895 16.3146 10.1685 HAL2 3525 0 0 0 0.09 3529 3527 H10 SLES 1 13.0047 16.4603 8.62309 HAL2 3525 0 0 0 0.09 3530 3528 C11 SLES 1 13.3652 14.5996 9.71146 CTL2 3525 3529 3530 3531 -0.18 3531 3529 H11 SLES 1 13.426 14.2663 10.7727 HAL2 3528 0 0 0 0.09 3532 3530 H11 SLES 1 14.3577 14.4155 9.24044 HAL2 3528 0 0 0 0.09 3533 3531 C12 SLES 1 12.2984 13.7448 8.97953 CTL3 3528 3532 3533 3534 -0.27 3534 3532 H12 SLES 1 11.8376 13.0165 9.68286 HAL3 3531 0 0 0 0.09 3535 3533 H12 SLES 1 12.7635 13.1816 8.14057 HAL3 3531 0 0 0 0.09 3536 3534 H12 SLES 1 11.4965 14.3957 8.56782 HAL3 3531 0 0 0 0.09 3537 3535 NA SLES 1 35.4052 19.1736 18.1914 NA 0 0 0 0 1 3538 3536 S SLES 1 32.6436 21.4904 17.5945 SL 3537 3538 3539 3540 1.33 3539 3537 OS1 SLES 1 32.6362 19.8745 17.1515 OSL 3536 3541 0 0 -0.28 3540 3538 OS2 SLES 1 32.8625 21.5205 19.0258 O2L 3536 0 0 0 -0.65 3541 3539 OS3 SLES 1 33.7708 22.0901 16.9115 O2L 3536 0 0 0 -0.65 3542 3540 OS4 SLES 1 31.4247 22.2113 17.2646 O2L 3536 0 0 0 -0.65 3543 3541 C2 SLES 1 31.2798 19.4741 16.6825 CC32A 3537 3542 3543 3544 -0.11 3544 3542 H2A SLES 1 30.5051 19.7019 17.4668 HCA2 3541 0 0 0 0.09 3545 3543 H2B SLES 1 31.0374 20.0571 15.751 HCA2 3541 0 0 0 0.09 3546 3544 C1 SLES 1 31.2734 17.9059 16.3563 CC32A 3541 3545 3546 3547 -0.01 3547 3545 H1B SLES 1 31.599 17.3307 17.2535 HCA2 3544 0 0 0 0.09 3548 3546 H1A SLES 1 31.9749 17.6899 15.517 HCA2 3544 0 0 0 0.09 3549 3547 O1 SLES 1 30.0183 17.2347 15.9661 OC30A 3544 3548 0 0 -0.34 3550 3548 C2 SLES 1 28.9463 18.0859 15.509 CC32A 3547 3549 3550 3551 -0.01 3551 3549 H2A SLES 1 28.7672 18.7204 16.3991 HCA2 3548 0 0 0 0.09 3552 3550 H2B SLES 1 29.445 18.6997 14.7254 HCA2 3548 0 0 0 0.09 3553 3551 C1 SLES 1 27.5826 17.5522 14.968 CC32A 3548 3552 3553 3554 -0.01 3554 3552 H1B SLES 1 26.8558 17.4639 15.8046 HCA2 3551 0 0 0 0.09 3555 3553 H1A SLES 1 27.1802 18.2665 14.222 HCA2 3551 0 0 0 0.09 3556 3554 O1 SLES 1 27.4229 16.233 14.3539 OC30A 3551 3555 0 0 -0.34 3557 3555 C1 SLES 1 26.3604 16.144 13.3355 CTL2 3554 3556 3557 3558 -0.18 3558 3556 H11 SLES 1 25.775 17.0795 13.3925 HAL2 3555 0 0 0 0.09 3559 3557 H12 SLES 1 26.9559 16.1535 12.3992 HAL2 3555 0 0 0 0.09 3560 3558 C2 SLES 1 25.3806 14.9046 13.3342 CTL2 3555 3559 3560 3561 -0.18 3561 3559 H21 SLES 1 25.6296 14.2422 14.1933 HAL2 3558 0 0 0 0.09 3562 3560 H22 SLES 1 25.5337 14.3237 12.3984 HAL2 3558 0 0 0 0.09 3563 3561 C3 SLES 1 23.8383 15.3396 13.4377 CTL2 3558 3562 3563 3564 -0.18 3564 3562 H31 SLES 1 23.4785 15.1512 14.4737 HAL2 3561 0 0 0 0.09 3565 3563 H32 SLES 1 23.7558 16.4273 13.2418 HAL2 3561 0 0 0 0.09 3566 3564 C4 SLES 1 22.9052 14.5614 12.4199 CTL2 3561 3565 3566 3567 -0.18 3567 3565 H41 SLES 1 22.3601 13.7651 12.9685 HAL2 3564 0 0 0 0.09 3568 3566 H42 SLES 1 23.5362 14.0736 11.6461 HAL2 3564 0 0 0 0.09 3569 3567 C5 SLES 1 21.8493 15.5168 11.7008 CTL2 3564 3568 3569 3570 -0.18 3570 3568 H51 SLES 1 21.7562 16.4594 12.2842 HAL2 3567 0 0 0 0.09 3571 3569 H52 SLES 1 22.2287 15.7782 10.6865 HAL2 3567 0 0 0 0.09 3572 3570 C6 SLES 1 20.4239 14.8611 11.5611 CTL2 3567 3571 3572 3573 -0.18 3573 3571 H61 SLES 1 19.9423 14.8228 12.564 HAL2 3570 0 0 0 0.09 3574 3572 H62 SLES 1 19.7933 15.5025 10.9021 HAL2 3570 0 0 0 0.09 3575 3573 C7 SLES 1 20.4768 13.4183 10.9662 CTL2 3570 3574 3575 3576 -0.18 3576 3574 H71 SLES 1 20.7372 12.7013 11.776 HAL2 3573 0 0 0 0.09 3577 3575 H72 SLES 1 21.2781 13.3717 10.1954 HAL2 3573 0 0 0 0.09 3578 3576 C8 SLES 1 19.1341 12.9875 10.3252 CTL2 3573 3577 3578 3579 -0.18 3579 3577 H81 SLES 1 18.3004 13.2463 11.0175 HAL2 3576 0 0 0 0.09 3580 3578 H82 SLES 1 18.9841 13.555 9.37858 HAL2 3576 0 0 0 0.09 3581 3579 C9 SLES 1 19.0847 11.4696 10.0187 CTL2 3576 3580 3581 3582 -0.18 3582 3580 H91 SLES 1 19.2643 10.903 10.9606 HAL2 3579 0 0 0 0.09 3583 3581 H92 SLES 1 19.9009 11.2168 9.30502 HAL2 3579 0 0 0 0.09 3584 3582 C10 SLES 1 17.731 11.0272 9.41451 CTL2 3579 3583 3584 3585 -0.18 3585 3583 H10 SLES 1 16.9166 11.2588 10.1384 HAL2 3582 0 0 0 0.09 3586 3584 H10 SLES 1 17.5403 11.6092 8.48449 HAL2 3582 0 0 0 0.09 3587 3585 C11 SLES 1 17.6961 9.51223 9.08039 CTL2 3582 3586 3587 3588 -0.18 3588 3586 H11 SLES 1 17.8805 8.93444 10.0149 HAL2 3585 0 0 0 0.09 3589 3587 H11 SLES 1 18.5232 9.28238 8.37042 HAL2 3585 0 0 0 0.09 3590 3588 C12 SLES 1 16.3569 9.04033 8.45716 CTL3 3585 3589 3590 3591 -0.27 3591 3589 H12 SLES 1 15.8914 8.25394 9.09134 HAL3 3588 0 0 0 0.09 3592 3590 H12 SLES 1 16.5299 8.62039 7.44174 HAL3 3588 0 0 0 0.09 3593 3591 H12 SLES 1 15.648 9.89255 8.37207 HAL3 3588 0 0 0 0.09 3594 3592 NA SLES 1 40.2245 6.83093 16.9532 NA 0 0 0 0 1 3595 3593 S SLES 1 37.9597 9.66345 17.398 SL 3594 3595 3596 3597 1.33 3596 3594 OS1 SLES 1 37.5733 8.26501 16.5599 OSL 3593 3598 0 0 -0.28 3597 3595 OS2 SLES 1 38.3192 9.2499 18.7386 O2L 3593 0 0 0 -0.65 3598 3596 OS3 SLES 1 39.1144 10.2271 16.7305 O2L 3593 0 0 0 -0.65 3599 3597 OS4 SLES 1 36.8908 10.6477 17.4532 O2L 3593 0 0 0 -0.65 3600 3598 C2 SLES 1 36.124 8.25428 16.214 CC32A 3594 3599 3600 3601 -0.11 3601 3599 H2A SLES 1 35.4942 8.38181 17.1383 HCA2 3598 0 0 0 0.09 3602 3600 H2B SLES 1 35.918 9.10922 15.5119 HCA2 3598 0 0 0 0.09 3603 3601 C1 SLES 1 35.76 6.86769 15.4994 CC32A 3598 3602 3603 3604 -0.01 3604 3602 H1B SLES 1 36.0453 6.01536 16.1581 HCA2 3601 0 0 0 0.09 3605 3603 H1A SLES 1 36.3157 6.77945 14.5368 HCA2 3601 0 0 0 0.09 3606 3604 O1 SLES 1 34.3608 6.56171 15.1436 OC30A 3601 3605 0 0 -0.34 3607 3605 C2 SLES 1 33.4496 7.67939 15.0889 CC32A 3604 3606 3607 3608 -0.01 3608 3606 H2A SLES 1 33.4943 8.05784 16.1289 HCA2 3605 0 0 0 0.09 3609 3607 H2B SLES 1 33.9857 8.39342 14.4239 HCA2 3605 0 0 0 0.09 3610 3608 C1 SLES 1 31.9584 7.56449 14.641 CC32A 3605 3609 3610 3611 -0.01 3611 3609 H1B SLES 1 31.3147 7.37068 15.5265 HCA2 3608 0 0 0 0.09 3612 3610 H1A SLES 1 31.642 8.51866 14.174 HCA2 3608 0 0 0 0.09 3613 3611 O1 SLES 1 31.4687 6.52067 13.7391 OC30A 3608 3612 0 0 -0.34 3614 3612 C1 SLES 1 30.3164 6.90795 12.9047 CTL2 3611 3613 3614 3615 -0.18 3615 3613 H11 SLES 1 29.9465 7.87588 13.2888 HAL2 3612 0 0 0 0.09 3616 3614 H12 SLES 1 30.8062 7.07819 11.9237 HAL2 3612 0 0 0 0.09 3617 3615 C2 SLES 1 29.1051 5.90837 12.7321 CTL2 3612 3616 3617 3618 -0.18 3618 3616 H21 SLES 1 29.2939 4.99774 13.3436 HAL2 3615 0 0 0 0.09 3619 3617 H22 SLES 1 29.0417 5.59795 11.6662 HAL2 3615 0 0 0 0.09 3620 3618 C3 SLES 1 27.7046 6.55652 13.1761 CTL2 3615 3619 3620 3621 -0.18 3621 3619 H31 SLES 1 27.4168 6.14853 14.1705 HAL2 3618 0 0 0 0.09 3622 3620 H32 SLES 1 27.8311 7.65242 13.282 HAL2 3618 0 0 0 0.09 3623 3621 C4 SLES 1 26.535 6.27098 12.1452 CTL2 3618 3622 3623 3624 -0.18 3624 3622 H41 SLES 1 25.8928 5.45905 12.5458 HAL2 3621 0 0 0 0.09 3625 3623 H42 SLES 1 26.972 5.91991 11.1856 HAL2 3621 0 0 0 0.09 3626 3624 C5 SLES 1 25.6354 7.55816 11.8647 CTL2 3621 3625 3626 3627 -0.18 3627 3625 H51 SLES 1 25.7978 8.29899 12.6785 HAL2 3624 0 0 0 0.09 3628 3626 H52 SLES 1 25.9596 8.02548 10.9069 HAL2 3624 0 0 0 0.09 3629 3627 C6 SLES 1 24.0982 7.22549 11.7778 CTL2 3624 3628 3629 3630 -0.18 3630 3628 H61 SLES 1 23.7198 6.98958 12.7977 HAL2 3627 0 0 0 0.09 3631 3629 H62 SLES 1 23.5531 8.12588 11.4095 HAL2 3627 0 0 0 0.09 3632 3630 C7 SLES 1 23.7917 6.0229 10.8301 CTL2 3627 3631 3632 3633 -0.18 3633 3631 H71 SLES 1 23.9754 5.07266 11.3788 HAL2 3630 0 0 0 0.09 3634 3632 H72 SLES 1 24.4863 6.05784 9.96144 HAL2 3630 0 0 0 0.09 3635 3633 C8 SLES 1 22.3325 6.02962 10.3102 CTL2 3630 3634 3635 3636 -0.18 3636 3634 H81 SLES 1 21.6427 6.22268 11.1636 HAL2 3633 0 0 0 0.09 3637 3635 H82 SLES 1 22.2117 6.8583 9.57583 HAL2 3633 0 0 0 0.09 3638 3636 C9 SLES 1 21.9391 4.69238 9.63394 CTL2 3633 3637 3638 3639 -0.18 3639 3637 H91 SLES 1 22.0884 3.86081 10.3596 HAL2 3636 0 0 0 0.09 3640 3638 H92 SLES 1 22.611 4.5141 8.76434 HAL2 3636 0 0 0 0.09 3641 3639 C10 SLES 1 20.4704 4.67972 9.14783 CTL2 3636 3640 3641 3642 -0.18 3642 3640 H10 SLES 1 19.7969 4.83479 10.0214 HAL2 3639 0 0 0 0.09 3643 3641 H10 SLES 1 20.3146 5.52442 8.43914 HAL2 3639 0 0 0 0.09 3644 3642 C11 SLES 1 20.089 3.35056 8.44371 CTL2 3639 3643 3644 3645 -0.18 3645 3643 H11 SLES 1 20.2399 2.50966 9.1587 HAL2 3642 0 0 0 0.09 3646 3644 H11 SLES 1 20.7766 3.19099 7.58194 HAL2 3642 0 0 0 0.09 3647 3645 C12 SLES 1 18.6265 3.31292 7.92966 CTL3 3642 3646 3647 3648 -0.27 3648 3646 H12 SLES 1 18.0721 2.47241 8.40249 HAL3 3645 0 0 0 0.09 3649 3647 H12 SLES 1 18.6081 3.17337 6.82624 HAL3 3645 0 0 0 0.09 3650 3648 H12 SLES 1 18.1052 4.26376 8.17527 HAL3 3645 0 0 0 0.09 3651 3649 NA SLES 1 40.7852 -6.27438 15.7888 NA 0 0 0 0 1 3652 3650 S SLES 1 39.1254 -3.33106 17.179 SL 3651 3652 3653 3654 1.33 3653 3651 OS1 SLES 1 38.4699 -4.31522 15.9919 OSL 3650 3655 0 0 -0.28 3654 3652 OS2 SLES 1 39.3963 -4.18702 18.3154 O2L 3650 0 0 0 -0.65 3655 3653 OS3 SLES 1 40.3686 -2.82186 16.6388 O2L 3650 0 0 0 -0.65 3656 3654 OS4 SLES 1 38.2723 -2.22535 17.584 O2L 3650 0 0 0 -0.65 3657 3655 C2 SLES 1 37.047 -3.94831 15.7449 CC32A 3651 3656 3657 3658 -0.11 3658 3656 H2A SLES 1 36.4551 -3.98694 16.7017 HCA2 3655 0 0 0 0.09 3659 3657 H2B SLES 1 37.014 -2.89964 15.3382 HCA2 3655 0 0 0 0.09 3660 3658 C1 SLES 1 36.4158 -4.96258 14.6778 CC32A 3655 3659 3660 3661 -0.01 3661 3659 H1B SLES 1 36.527 -6.01079 15.0393 HCA2 3658 0 0 0 0.09 3662 3660 H1A SLES 1 36.9428 -4.86175 13.7005 HCA2 3658 0 0 0 0.09 3663 3661 O1 SLES 1 34.9836 -4.87831 14.3318 OC30A 3658 3662 0 0 -0.34 3664 3662 C2 SLES 1 34.3114 -3.64466 14.6617 CC32A 3661 3663 3664 3665 -0.01 3665 3663 H2A SLES 1 34.4304 -3.61048 15.7624 HCA2 3662 0 0 0 0.09 3666 3664 H2B SLES 1 34.978 -2.87889 14.2049 HCA2 3662 0 0 0 0.09 3667 3665 C1 SLES 1 32.8269 -3.33675 14.2893 CC32A 3662 3666 3667 3668 -0.01 3668 3666 H1B SLES 1 32.1577 -3.66168 15.1156 HCA2 3665 0 0 0 0.09 3669 3667 H1A SLES 1 32.7054 -2.24483 14.1425 HCA2 3665 0 0 0 0.09 3670 3668 O1 SLES 1 32.1401 -3.95066 13.1516 OC30A 3665 3669 0 0 -0.34 3671 3669 C1 SLES 1 31.087 -3.12126 12.5376 CTL2 3668 3670 3671 3672 -0.18 3672 3670 H11 SLES 1 30.916 -2.26117 13.2101 HAL2 3669 0 0 0 0.09 3673 3671 H12 SLES 1 31.6006 -2.76075 11.6224 HAL2 3669 0 0 0 0.09 3674 3672 C2 SLES 1 29.7019 -3.776 12.1517 CTL2 3669 3673 3674 3675 -0.18 3675 3673 H21 SLES 1 29.707 -4.8464 12.4567 HAL2 3672 0 0 0 0.09 3676 3674 H22 SLES 1 29.5781 -3.73526 11.0473 HAL2 3672 0 0 0 0.09 3677 3675 C3 SLES 1 28.4574 -3.0385 12.8487 CTL2 3672 3676 3677 3678 -0.18 3678 3676 H31 SLES 1 28.0948 -3.66352 13.6949 HAL2 3675 0 0 0 0.09 3679 3677 H32 SLES 1 28.7981 -2.06907 13.2637 HAL2 3675 0 0 0 0.09 3680 3678 C4 SLES 1 27.2541 -2.77631 11.8508 CTL2 3675 3679 3680 3681 -0.18 3681 3679 H41 SLES 1 26.4641 -3.53449 12.0329 HAL2 3678 0 0 0 0.09 3682 3680 H42 SLES 1 27.6128 -2.89981 10.8062 HAL2 3678 0 0 0 0.09 3683 3681 C5 SLES 1 26.6268 -1.31874 12.0144 CTL2 3678 3682 3683 3684 -0.18 3684 3682 H51 SLES 1 26.9328 -0.90011 12.9985 HAL2 3681 0 0 0 0.09 3685 3683 H52 SLES 1 27.0368 -0.65605 11.2183 HAL2 3681 0 0 0 0.09 3686 3684 C6 SLES 1 25.0541 -1.31389 11.9252 CTL2 3681 3685 3686 3687 -0.18 3687 3685 H61 SLES 1 24.6368 -1.76849 12.8516 HAL2 3684 0 0 0 0.09 3688 3686 H62 SLES 1 24.6978 -0.258658 11.8703 HAL2 3684 0 0 0 0.09 3689 3687 C7 SLES 1 24.5156 -2.09714 10.6863 CTL2 3684 3688 3689 3690 -0.18 3690 3688 H71 SLES 1 24.5079 -3.18482 10.9201 HAL2 3687 0 0 0 0.09 3691 3689 H72 SLES 1 25.2032 -1.93542 9.82645 HAL2 3687 0 0 0 0.09 3692 3690 C8 SLES 1 23.0864 -1.65994 10.279 CTL2 3687 3691 3692 3693 -0.18 3693 3691 H81 SLES 1 22.4487 -1.60474 11.1909 HAL2 3690 0 0 0 0.09 3694 3692 H82 SLES 1 23.1317 -0.642225 9.82861 HAL2 3690 0 0 0 0.09 3695 3693 C9 SLES 1 22.4361 -2.63398 9.26475 CTL2 3690 3694 3695 3696 -0.18 3696 3694 H91 SLES 1 22.4182 -3.65715 9.70422 HAL2 3693 0 0 0 0.09 3697 3695 H92 SLES 1 23.0593 -2.66714 8.34277 HAL2 3693 0 0 0 0.09 3698 3696 C10 SLES 1 20.9939 -2.22325 8.88452 CTL2 3693 3697 3698 3699 -0.18 3699 3697 H10 SLES 1 20.3645 -2.21268 9.80353 HAL2 3696 0 0 0 0.09 3700 3698 H10 SLES 1 21.0081 -1.19165 8.46544 HAL2 3696 0 0 0 0.09 3701 3699 C11 SLES 1 20.3569 -3.18367 7.84537 CTL2 3696 3700 3701 3702 -0.18 3702 3700 H11 SLES 1 20.3388 -4.21269 8.27186 HAL2 3699 0 0 0 0.09 3703 3701 H11 SLES 1 20.9992 -3.20463 6.93543 HAL2 3699 0 0 0 0.09 3704 3702 C12 SLES 1 18.9157 -2.78909 7.43079 CTL3 3699 3703 3704 3705 -0.27 3705 3703 H12 SLES 1 18.2062 -3.6122 7.66827 HAL3 3702 0 0 0 0.09 3706 3704 H12 SLES 1 18.8699 -2.5858 6.33812 HAL3 3702 0 0 0 0.09 3707 3705 H12 SLES 1 18.5929 -1.87496 7.97511 HAL3 3702 0 0 0 0.09 3708 3706 NA SLES 1 37.1705 -18.7664 14.7737 NA 0 0 0 0 1 3709 3707 S SLES 1 35.9589 -16.062 16.9111 SL 3708 3709 3710 3711 1.33 3710 3708 OS1 SLES 1 35.251 -16.5117 15.4606 OSL 3707 3712 0 0 -0.28 3711 3709 OS2 SLES 1 35.9538 -17.2417 17.751 O2L 3707 0 0 0 -0.65 3712 3710 OS3 SLES 1 37.3217 -15.6883 16.5953 O2L 3707 0 0 0 -0.65 3713 3711 OS4 SLES 1 35.2907 -14.9654 17.5933 O2L 3707 0 0 0 -0.65 3714 3712 C2 SLES 1 33.952 -15.8046 15.279 CC32A 3708 3713 3714 3715 -0.11 3715 3713 H2A SLES 1 33.2728 -15.99 16.1573 HCA2 3712 0 0 0 0.09 3716 3714 H2B SLES 1 34.1542 -14.7003 15.2016 HCA2 3712 0 0 0 0.09 3717 3715 C1 SLES 1 33.2505 -16.3216 13.935 CC32A 3712 3716 3717 3718 -0.01 3718 3716 H1B SLES 1 33.1293 -17.4287 13.9723 HCA2 3715 0 0 0 0.09 3719 3717 H1A SLES 1 33.8799 -16.0587 13.053 HCA2 3715 0 0 0 0.09 3720 3718 O1 SLES 1 31.8997 -15.8491 13.5745 OC30A 3715 3719 0 0 -0.34 3721 3719 C2 SLES 1 31.4394 -14.6487 14.2301 CC32A 3718 3720 3721 3722 -0.01 3722 3720 H2A SLES 1 31.4547 -14.9534 15.2949 HCA2 3719 0 0 0 0.09 3723 3721 H2B SLES 1 32.278 -13.9395 14.0479 HCA2 3719 0 0 0 0.09 3724 3722 C1 SLES 1 30.0815 -13.9486 13.909 CC32A 3719 3723 3724 3725 -0.01 3725 3723 H1B SLES 1 29.2863 -14.3492 14.5747 HCA2 3722 0 0 0 0.09 3726 3724 H1A SLES 1 30.1799 -12.8593 14.0891 HCA2 3722 0 0 0 0.09 3727 3725 O1 SLES 1 29.407 -14.0592 12.6146 OC30A 3722 3726 0 0 -0.34 3728 3726 C1 SLES 1 28.5914 -12.8911 12.2348 CTL2 3725 3727 3728 3729 -0.18 3729 3727 H11 SLES 1 28.5183 -12.241 13.1255 HAL2 3726 0 0 0 0.09 3730 3728 H12 SLES 1 29.2498 -12.3998 11.4888 HAL2 3726 0 0 0 0.09 3731 3729 C2 SLES 1 27.1531 -13.1091 11.6183 CTL2 3726 3730 3731 3732 -0.18 3732 3730 H21 SLES 1 26.9295 -14.1991 11.5911 HAL2 3729 0 0 0 0.09 3733 3731 H22 SLES 1 27.1474 -12.7322 10.5721 HAL2 3729 0 0 0 0.09 3734 3732 C3 SLES 1 26.0053 -12.3594 12.4544 CTL2 3729 3733 3734 3735 -0.18 3735 3733 H31 SLES 1 25.4521 -13.1099 13.0617 HAL2 3732 0 0 0 0.09 3736 3734 H32 SLES 1 26.4781 -11.6395 13.1519 HAL2 3732 0 0 0 0.09 3737 3735 C4 SLES 1 24.975 -11.5826 11.5339 CTL2 3732 3736 3737 3738 -0.18 3738 3736 H41 SLES 1 24.0439 -12.1814 11.4516 HAL2 3735 0 0 0 0.09 3739 3737 H42 SLES 1 25.4046 -11.476 10.5145 HAL2 3735 0 0 0 0.09 3740 3738 C5 SLES 1 24.6165 -10.1346 12.0992 CTL2 3735 3739 3740 3741 -0.18 3741 3739 H51 SLES 1 24.8973 -10.0848 13.1744 HAL2 3738 0 0 0 0.09 3742 3740 H52 SLES 1 25.2181 -9.37282 11.5527 HAL2 3738 0 0 0 0.09 3743 3741 C6 SLES 1 23.0884 -9.78041 11.9547 CTL2 3738 3742 3743 3744 -0.18 3744 3742 H61 SLES 1 22.5055 -10.3828 12.6871 HAL2 3741 0 0 0 0.09 3745 3743 H62 SLES 1 22.9415 -8.70315 12.2024 HAL2 3741 0 0 0 0.09 3746 3744 C7 SLES 1 22.5372 -10.0515 10.5191 CTL2 3741 3745 3746 3747 -0.18 3747 3745 H71 SLES 1 22.3048 -11.1348 10.4183 HAL2 3744 0 0 0 0.09 3748 3746 H72 SLES 1 23.3235 -9.79799 9.7735 HAL2 3744 0 0 0 0.09 3749 3747 C8 SLES 1 21.2609 -9.23173 10.2052 CTL2 3744 3748 3749 3750 -0.18 3750 3748 H81 SLES 1 20.5586 -9.30712 11.0669 HAL2 3747 0 0 0 0.09 3751 3749 H82 SLES 1 21.5382 -8.16026 10.08 HAL2 3747 0 0 0 0.09 3752 3750 C9 SLES 1 20.5431 -9.72213 8.92283 CTL2 3747 3751 3752 3753 -0.18 3753 3751 H91 SLES 1 20.2925 -10.8013 9.03705 HAL2 3750 0 0 0 0.09 3754 3752 H92 SLES 1 21.2362 -9.62024 8.05754 HAL2 3750 0 0 0 0.09 3755 3753 C10 SLES 1 19.2463 -8.93215 8.62646 CTL2 3750 3754 3755 3756 -0.18 3756 3754 H10 SLES 1 18.5433 -9.05308 9.48196 HAL2 3753 0 0 0 0.09 3757 3755 H10 SLES 1 19.4928 -7.85014 8.53405 HAL2 3753 0 0 0 0.09 3758 3756 C11 SLES 1 18.5465 -9.40547 7.32486 CTL2 3753 3757 3758 3759 -0.18 3759 3757 H11 SLES 1 18.296 -10.4864 7.42495 HAL2 3756 0 0 0 0.09 3760 3758 H11 SLES 1 19.2594 -9.29951 6.47543 HAL2 3756 0 0 0 0.09 3761 3759 C12 SLES 1 17.2512 -8.62111 6.99097 CTL3 3756 3760 3761 3762 -0.27 3762 3760 H12 SLES 1 16.3814 -9.31294 6.94524 HAL3 3759 0 0 0 0.09 3763 3761 H12 SLES 1 17.3507 -8.11137 6.0073 HAL3 3759 0 0 0 0.09 3764 3762 H12 SLES 1 17.0523 -7.85283 7.76962 HAL3 3759 0 0 0 0.09 3765 3763 NA SLES 1 29.8532 -29.4246 13.9664 NA 0 0 0 0 1 3766 3764 S SLES 1 28.7687 -27.1054 16.5733 SL 3765 3766 3767 3768 1.33 3767 3765 OS1 SLES 1 28.2725 -27.0319 14.9746 OSL 3764 3769 0 0 -0.28 3768 3766 OS2 SLES 1 28.3985 -28.4198 17.0557 O2L 3764 0 0 0 -0.65 3769 3767 OS3 SLES 1 30.2108 -26.9763 16.5537 O2L 3764 0 0 0 -0.65 3770 3768 OS4 SLES 1 28.192 -26.0824 17.4308 O2L 3764 0 0 0 -0.65 3771 3769 C2 SLES 1 27.1765 -26.0343 14.8196 CC32A 3765 3770 3771 3772 -0.11 3772 3770 H2A SLES 1 26.3247 -26.2687 15.5172 HCA2 3769 0 0 0 0.09 3773 3771 H2B SLES 1 27.5829 -25.0154 15.0703 HCA2 3769 0 0 0 0.09 3774 3772 C1 SLES 1 26.6549 -26.0512 13.3052 CC32A 3769 3773 3774 3775 -0.01 3775 3773 H1B SLES 1 26.3337 -27.0811 13.0263 HCA2 3772 0 0 0 0.09 3776 3774 H1A SLES 1 27.473 -25.7316 12.6184 HCA2 3772 0 0 0 0.09 3777 3775 O1 SLES 1 25.5 -25.2219 12.9094 OC30A 3772 3776 0 0 -0.34 3778 3776 C2 SLES 1 25.1478 -24.1401 13.7972 CC32A 3775 3777 3778 3779 -0.01 3779 3777 H2A SLES 1 24.9115 -24.6841 14.7327 HCA2 3776 0 0 0 0.09 3780 3778 H2B SLES 1 26.1182 -23.61 13.9259 HCA2 3776 0 0 0 0.09 3781 3779 C1 SLES 1 24.0194 -23.1031 13.4995 CC32A 3776 3780 3781 3782 -0.01 3782 3780 H1B SLES 1 23.0564 -23.4653 13.9208 HCA2 3779 0 0 0 0.09 3783 3781 H1A SLES 1 24.2752 -22.1365 13.9779 HCA2 3779 0 0 0 0.09 3784 3782 O1 SLES 1 23.5871 -22.753 12.1455 OC30A 3779 3783 0 0 -0.34 3785 3783 C1 SLES 1 23.0769 -21.3784 11.9898 CTL2 3782 3784 3785 3786 -0.18 3786 3784 H11 SLES 1 22.9574 -20.9582 13.0049 HAL2 3783 0 0 0 0.09 3787 3785 H12 SLES 1 23.9386 -20.8814 11.4982 HAL2 3783 0 0 0 0.09 3788 3786 C2 SLES 1 21.7619 -21.1227 11.1521 CTL2 3783 3787 3788 3789 -0.18 3789 3787 H21 SLES 1 21.3568 -22.0987 10.8027 HAL2 3786 0 0 0 0.09 3790 3788 H22 SLES 1 22.0169 -20.517 10.2551 HAL2 3786 0 0 0 0.09 3791 3789 C3 SLES 1 20.6316 -20.3592 11.9993 CTL2 3786 3790 3791 3792 -0.18 3792 3790 H31 SLES 1 19.8509 -21.0919 12.3029 HAL2 3789 0 0 0 0.09 3793 3791 H32 SLES 1 21.0878 -19.947 12.9214 HAL2 3789 0 0 0 0.09 3794 3792 C4 SLES 1 19.9442 -19.1798 11.194 CTL2 3789 3793 3794 3795 -0.18 3795 3793 H41 SLES 1 18.9529 -19.5224 10.8305 HAL2 3792 0 0 0 0.09 3796 3794 H42 SLES 1 20.5668 -18.9317 10.3075 HAL2 3792 0 0 0 0.09 3797 3795 C5 SLES 1 19.751 -17.8646 12.0759 CTL2 3792 3796 3797 3798 -0.18 3798 3796 H51 SLES 1 19.8326 -18.1338 13.1521 HAL2 3795 0 0 0 0.09 3799 3797 H52 SLES 1 20.5692 -17.1463 11.8399 HAL2 3795 0 0 0 0.09 3800 3798 C6 SLES 1 18.3639 -17.1595 11.8307 CTL2 3795 3799 3800 3801 -0.18 3801 3799 H61 SLES 1 17.5579 -17.775 12.2895 HAL2 3798 0 0 0 0.09 3802 3800 H62 SLES 1 18.3679 -16.1664 12.3379 HAL2 3798 0 0 0 0.09 3803 3801 C7 SLES 1 18.0483 -16.9548 10.3152 CTL2 3798 3802 3803 3804 -0.18 3804 3802 H71 SLES 1 17.6494 -17.9051 9.89619 HAL2 3801 0 0 0 0.09 3805 3803 H72 SLES 1 18.9911 -16.711 9.77676 HAL2 3801 0 0 0 0.09 3806 3804 C8 SLES 1 17.0187 -15.8243 10.0674 CTL2 3801 3805 3806 3807 -0.18 3807 3805 H81 SLES 1 16.1672 -15.9455 10.7757 HAL2 3804 0 0 0 0.09 3808 3806 H82 SLES 1 17.5006 -14.8416 10.2736 HAL2 3804 0 0 0 0.09 3809 3807 C9 SLES 1 16.4746 -15.827 8.61677 CTL2 3804 3808 3809 3810 -0.18 3810 3808 H91 SLES 1 16.0192 -16.8203 8.40158 HAL2 3807 0 0 0 0.09 3811 3809 H92 SLES 1 17.3226 -15.6778 7.91094 HAL2 3807 0 0 0 0.09 3812 3810 C10 SLES 1 15.4167 -14.7243 8.37492 CTL2 3807 3811 3812 3813 -0.18 3813 3811 H10 SLES 1 14.5576 -14.887 9.06496 HAL2 3810 0 0 0 0.09 3814 3812 H10 SLES 1 15.8647 -13.7326 8.61116 HAL2 3810 0 0 0 0.09 3815 3813 C11 SLES 1 14.8967 -14.7102 6.91297 CTL2 3810 3814 3815 3816 -0.18 3816 3814 H11 SLES 1 14.4435 -15.7018 6.68382 HAL2 3813 0 0 0 0.09 3817 3815 H11 SLES 1 15.7615 -14.5653 6.22598 HAL2 3813 0 0 0 0.09 3818 3816 C12 SLES 1 13.8461 -13.6043 6.634 CTL3 3813 3817 3818 3819 -0.27 3819 3817 H12 SLES 1 12.8907 -14.0571 6.28844 HAL3 3816 0 0 0 0.09 3820 3818 H12 SLES 1 14.2149 -12.9107 5.8464 HAL3 3816 0 0 0 0.09 3821 3819 H12 SLES 1 13.6467 -13.0179 7.55736 HAL3 3816 0 0 0 0.09 3822 3820 NA SLES 1 19.6025 -37.2583 13.403 NA 0 0 0 0 1 3823 3821 S SLES 1 18.3291 -35.216 16.1521 SL 3822 3823 3824 3825 1.33 3824 3822 OS1 SLES 1 18.2734 -34.7712 14.5377 OSL 3821 3826 0 0 -0.28 3825 3823 OS2 SLES 1 17.6201 -36.4747 16.2536 O2L 3821 0 0 0 -0.65 3826 3824 OS3 SLES 1 19.7285 -35.4124 16.4678 O2L 3821 0 0 0 -0.65 3827 3825 OS4 SLES 1 17.7476 -34.245 17.0651 O2L 3821 0 0 0 -0.65 3828 3826 C2 SLES 1 17.4487 -33.5416 14.3692 CC32A 3822 3827 3828 3829 -0.11 3829 3827 H2A SLES 1 16.4208 -33.6903 14.8033 HCA2 3826 0 0 0 0.09 3830 3828 H2B SLES 1 17.9544 -32.6953 14.9117 HCA2 3826 0 0 0 0.09 3831 3829 C1 SLES 1 17.3314 -33.1917 12.8105 CC32A 3826 3830 3831 3832 -0.01 3832 3830 H1B SLES 1 16.9119 -34.063 12.2569 HCA2 3829 0 0 0 0.09 3833 3831 H1A SLES 1 18.3398 -32.9554 12.3976 HCA2 3829 0 0 0 0.09 3834 3832 O1 SLES 1 16.4814 -32.071 12.364 OC30A 3829 3833 0 0 -0.34 3835 3833 C2 SLES 1 16.1162 -31.0988 13.3661 CC32A 3832 3834 3835 3836 -0.01 3836 3834 H2A SLES 1 15.5583 -31.7221 14.0921 HCA2 3833 0 0 0 0.09 3837 3835 H2B SLES 1 17.1016 -30.8285 13.8081 HCA2 3833 0 0 0 0.09 3838 3836 C1 SLES 1 15.3038 -29.8006 13.0629 CC32A 3833 3837 3838 3839 -0.01 3839 3837 H1B SLES 1 14.2169 -30.0017 13.1828 HCA2 3836 0 0 0 0.09 3840 3838 H1A SLES 1 15.5995 -29.0082 13.7794 HCA2 3836 0 0 0 0.09 3841 3839 O1 SLES 1 15.2967 -29.1446 11.7543 OC30A 3836 3840 0 0 -0.34 3842 3840 C1 SLES 1 15.0968 -27.6842 11.7901 CTL2 3839 3841 3842 3843 -0.18 3843 3841 H11 SLES 1 14.8025 -27.4207 12.8221 HAL2 3840 0 0 0 0.09 3844 3842 H12 SLES 1 16.1292 -27.3194 11.6103 HAL2 3840 0 0 0 0.09 3845 3843 C2 SLES 1 14.1032 -27.0058 10.766 CTL2 3840 3844 3845 3846 -0.18 3846 3844 H21 SLES 1 13.6313 -27.7949 10.1387 HAL2 3843 0 0 0 0.09 3847 3845 H22 SLES 1 14.6803 -26.3337 10.0938 HAL2 3843 0 0 0 0.09 3848 3846 C3 SLES 1 12.9513 -26.1581 11.496 CTL2 3843 3847 3848 3849 -0.18 3849 3847 H31 SLES 1 12.0013 -26.7366 11.4634 HAL2 3846 0 0 0 0.09 3850 3848 H32 SLES 1 13.2265 -26.0162 12.5601 HAL2 3846 0 0 0 0.09 3851 3849 C4 SLES 1 12.7118 -24.7385 10.833 CTL2 3846 3850 3851 3852 -0.18 3852 3850 H41 SLES 1 11.7994 -24.7855 10.2025 HAL2 3849 0 0 0 0.09 3853 3851 H42 SLES 1 13.5718 -24.4943 10.1728 HAL2 3849 0 0 0 0.09 3854 3852 C5 SLES 1 12.5412 -23.577 11.9129 CTL2 3849 3853 3854 3855 -0.18 3855 3853 H51 SLES 1 12.2993 -24.0309 12.8993 HAL2 3852 0 0 0 0.09 3856 3854 H52 SLES 1 13.5073 -23.0318 12.0149 HAL2 3852 0 0 0 0.09 3857 3855 C6 SLES 1 11.41 -22.5481 11.5343 CTL2 3852 3856 3857 3858 -0.18 3858 3856 H61 SLES 1 10.4177 -23.034 11.6693 HAL2 3855 0 0 0 0.09 3859 3857 H62 SLES 1 11.4638 -21.6785 12.2302 HAL2 3855 0 0 0 0.09 3860 3858 C7 SLES 1 11.5286 -22.0315 10.0655 CTL2 3855 3859 3860 3861 -0.18 3861 3859 H71 SLES 1 11.0847 -22.7859 9.37866 HAL2 3858 0 0 0 0.09 3862 3860 H72 SLES 1 12.6046 -21.9204 9.80447 HAL2 3858 0 0 0 0.09 3863 3861 C8 SLES 1 10.8142 -20.6739 9.85087 CTL2 3858 3862 3863 3864 -0.18 3864 3862 H81 SLES 1 9.80422 -20.7157 10.3194 HAL2 3861 0 0 0 0.09 3865 3863 H82 SLES 1 11.3965 -19.872 10.3593 HAL2 3861 0 0 0 0.09 3866 3864 C9 SLES 1 10.6621 -20.3158 8.35122 CTL2 3861 3865 3866 3867 -0.18 3867 3865 H91 SLES 1 10.1054 -21.1323 7.83761 HAL2 3864 0 0 0 0.09 3868 3866 H92 SLES 1 11.6731 -20.2467 7.89026 HAL2 3864 0 0 0 0.09 3869 3867 C10 SLES 1 9.91438 -18.9795 8.13037 CTL2 3864 3868 3869 3870 -0.18 3870 3868 H10 SLES 1 8.89424 -19.0565 8.57102 HAL2 3867 0 0 0 0.09 3871 3869 H10 SLES 1 10.4583 -18.1663 8.66213 HAL2 3867 0 0 0 0.09 3872 3870 C11 SLES 1 9.79087 -18.6089 6.6286 CTL2 3867 3871 3872 3873 -0.18 3873 3871 H11 SLES 1 9.24022 -19.422 6.10253 HAL2 3870 0 0 0 0.09 3874 3872 H11 SLES 1 10.8125 -18.5508 6.1883 HAL2 3870 0 0 0 0.09 3875 3873 C12 SLES 1 9.06009 -17.265 6.37461 CTL3 3870 3874 3875 3876 -0.27 3876 3874 H12 SLES 1 8.15752 -17.4288 5.7454 HAL3 3873 0 0 0 0.09 3877 3875 H12 SLES 1 9.7335 -16.552 5.84967 HAL3 3873 0 0 0 0.09 3878 3876 H12 SLES 1 8.74265 -16.8089 7.3376 HAL3 3873 0 0 0 0.09 3879 3877 NA SLES 1 7.4022 -41.5435 13.0929 NA 0 0 0 0 1 3880 3878 S SLES 1 5.792 -39.4811 15.6432 SL 3879 3880 3881 3882 1.33 3881 3879 OS1 SLES 1 6.29578 -38.9164 14.1483 OSL 3878 3883 0 0 -0.28 3882 3880 OS2 SLES 1 4.85933 -40.5573 15.38 O2L 3878 0 0 0 -0.65 3883 3881 OS3 SLES 1 6.97441 -40.003 16.296 O2L 3878 0 0 0 -0.65 3884 3882 OS4 SLES 1 5.16401 -38.4766 16.4864 O2L 3878 0 0 0 -0.65 3885 3883 C2 SLES 1 5.80487 -37.5267 13.9293 CC32A 3879 3884 3885 3886 -0.11 3886 3884 H2A SLES 1 4.68628 -37.4777 14.0456 HCA2 3883 0 0 0 0.09 3887 3885 H2B SLES 1 6.28068 -36.8547 14.6963 HCA2 3883 0 0 0 0.09 3888 3886 C1 SLES 1 6.21667 -37.0449 12.4582 CC32A 3883 3887 3888 3889 -0.01 3889 3887 H1B SLES 1 5.82013 -37.7592 11.7004 HCA2 3886 0 0 0 0.09 3890 3888 H1A SLES 1 7.32735 -37.0059 12.3686 HCA2 3886 0 0 0 0.09 3891 3889 O1 SLES 1 5.76255 -35.7348 11.9527 OC30A 3886 3890 0 0 -0.34 3892 3890 C2 SLES 1 5.31157 -34.7833 12.9395 CC32A 3889 3891 3892 3893 -0.01 3893 3891 H2A SLES 1 4.45835 -35.3209 13.3976 HCA2 3890 0 0 0 0.09 3894 3892 H2B SLES 1 6.15726 -34.7696 13.6634 HCA2 3890 0 0 0 0.09 3895 3893 C1 SLES 1 4.88445 -33.3195 12.6045 CC32A 3890 3894 3895 3896 -0.01 3896 3894 H1B SLES 1 3.79251 -33.2852 12.3983 HCA2 3893 0 0 0 0.09 3897 3895 H1A SLES 1 5.10232 -32.6668 13.4735 HCA2 3893 0 0 0 0.09 3898 3896 O1 SLES 1 5.38443 -32.5828 11.4426 OC30A 3893 3897 0 0 -0.34 3899 3897 C1 SLES 1 5.46318 -31.1209 11.618 CTL2 3896 3898 3899 3900 -0.18 3900 3898 H11 SLES 1 4.93566 -30.8765 12.5578 HAL2 3897 0 0 0 0.09 3901 3899 H12 SLES 1 6.55259 -30.9794 11.7744 HAL2 3897 0 0 0 0.09 3902 3900 C2 SLES 1 4.95955 -30.1667 10.4638 CTL2 3897 3901 3902 3903 -0.18 3903 3901 H21 SLES 1 4.55104 -30.7841 9.63272 HAL2 3900 0 0 0 0.09 3904 3902 H22 SLES 1 5.82421 -29.5898 10.0688 HAL2 3900 0 0 0 0.09 3905 3903 C3 SLES 1 3.82699 -29.1433 10.9621 CTL2 3900 3904 3905 3906 -0.18 3906 3904 H31 SLES 1 2.83637 -29.4949 10.5969 HAL2 3903 0 0 0 0.09 3907 3905 H32 SLES 1 3.80087 -29.1446 12.07 HAL2 3903 0 0 0 0.09 3908 3906 C4 SLES 1 4.06504 -27.6606 10.455 CTL2 3903 3907 3908 3909 -0.18 3909 3907 H41 SLES 1 3.38509 -27.459 9.60106 HAL2 3906 0 0 0 0.09 3910 3908 H42 SLES 1 5.11038 -27.5629 10.0906 HAL2 3906 0 0 0 0.09 3911 3909 C5 SLES 1 3.80956 -26.5733 11.594 CTL2 3906 3910 3911 3912 -0.18 3912 3910 H51 SLES 1 3.20858 -27.0349 12.4084 HAL2 3909 0 0 0 0.09 3913 3911 H52 SLES 1 4.78866 -26.2628 12.0251 HAL2 3909 0 0 0 0.09 3914 3912 C6 SLES 1 3.05474 -25.2959 11.0649 CTL2 3909 3913 3914 3915 -0.18 3915 3913 H61 SLES 1 1.99301 -25.5605 10.8605 HAL2 3912 0 0 0 0.09 3916 3914 H62 SLES 1 3.06642 -24.5134 11.8593 HAL2 3912 0 0 0 0.09 3917 3915 C7 SLES 1 3.6929 -24.7105 9.76554 CTL2 3912 3916 3917 3918 -0.18 3918 3916 H71 SLES 1 3.33466 -25.2958 8.88989 HAL2 3915 0 0 0 0.09 3919 3917 H72 SLES 1 4.79891 -24.8193 9.82232 HAL2 3915 0 0 0 0.09 3920 3918 C8 SLES 1 3.34311 -23.217 9.54951 CTL2 3915 3919 3920 3921 -0.18 3921 3919 H81 SLES 1 2.25148 -23.0706 9.71774 HAL2 3918 0 0 0 0.09 3922 3920 H82 SLES 1 3.89223 -22.6025 10.2989 HAL2 3918 0 0 0 0.09 3923 3921 C9 SLES 1 3.7065 -22.7239 8.12641 CTL2 3918 3922 3923 3924 -0.18 3924 3922 H91 SLES 1 3.18014 -23.3578 7.37709 HAL2 3921 0 0 0 0.09 3925 3923 H92 SLES 1 4.80206 -22.8447 7.96933 HAL2 3921 0 0 0 0.09 3926 3924 C10 SLES 1 3.32326 -21.2435 7.89253 CTL2 3921 3925 3926 3927 -0.18 3927 3925 H10 SLES 1 2.22363 -21.1269 8.02674 HAL2 3924 0 0 0 0.09 3928 3926 H10 SLES 1 3.8318 -20.6113 8.65529 HAL2 3924 0 0 0 0.09 3929 3927 C11 SLES 1 3.71652 -20.7443 6.47684 CTL2 3924 3928 3929 3930 -0.18 3930 3928 H11 SLES 1 3.20006 -21.3753 5.71771 HAL2 3927 0 0 0 0.09 3931 3929 H11 SLES 1 4.81386 -20.8796 6.34084 HAL2 3927 0 0 0 0.09 3932 3930 C12 SLES 1 3.36023 -19.2577 6.21694 CTL3 3927 3931 3932 3933 -0.27 3933 3931 H12 SLES 1 2.66701 -19.1721 5.35124 HAL3 3930 0 0 0 0.09 3934 3932 H12 SLES 1 4.27992 -18.6732 5.99374 HAL3 3930 0 0 0 0.09 3935 3933 H12 SLES 1 2.86764 -18.8158 7.11035 HAL3 3930 0 0 0 0.09 3936 3934 NA SLES 1 -5.61199 -41.8462 13.0184 NA 0 0 0 0 1 3937 3935 S SLES 1 -7.45377 -39.4324 15.0511 SL 3936 3937 3938 3939 1.33 3938 3936 OS1 SLES 1 -6.41834 -39.0214 13.7996 OSL 3935 3940 0 0 -0.28 3939 3937 OS2 SLES 1 -8.46478 -40.2964 14.4776 O2L 3935 0 0 0 -0.65 3940 3938 OS3 SLES 1 -6.65693 -40.1737 16.0062 O2L 3935 0 0 0 -0.65 3941 3939 OS4 SLES 1 -8.08527 -38.299 15.7077 O2L 3935 0 0 0 -0.65 3942 3940 C2 SLES 1 -6.52304 -37.5655 13.5 CC32A 3936 3941 3942 3943 -0.11 3943 3941 H2A SLES 1 -7.58945 -37.2815 13.2781 HCA2 3940 0 0 0 0.09 3944 3942 H2B SLES 1 -6.17243 -36.9894 14.4008 HCA2 3940 0 0 0 0.09 3945 3943 C1 SLES 1 -5.59749 -37.2158 12.2403 CC32A 3940 3944 3945 3946 -0.01 3946 3944 H1B SLES 1 -5.88586 -37.8498 11.3704 HCA2 3943 0 0 0 0.09 3947 3945 H1A SLES 1 -4.52836 -37.4116 12.4889 HCA2 3943 0 0 0 0.09 3948 3946 O1 SLES 1 -5.59813 -35.8524 11.6755 OC30A 3943 3947 0 0 -0.34 3949 3947 C2 SLES 1 -6.11894 -34.8042 12.5197 CC32A 3946 3948 3949 3950 -0.01 3950 3948 H2A SLES 1 -7.16206 -35.1408 12.6793 HCA2 3947 0 0 0 0.09 3951 3949 H2B SLES 1 -5.54663 -34.9499 13.4634 HCA2 3947 0 0 0 0.09 3952 3950 C1 SLES 1 -6.11409 -33.2921 12.1317 CC32A 3947 3951 3952 3953 -0.01 3953 3951 H1B SLES 1 -7.06162 -33.0357 11.6097 HCA2 3950 0 0 0 0.09 3954 3952 H1A SLES 1 -6.03828 -32.6785 13.0517 HCA2 3950 0 0 0 0.09 3955 3953 O1 SLES 1 -5.14696 -32.704 11.2034 OC30A 3950 3954 0 0 -0.34 3956 3954 C1 SLES 1 -4.82512 -31.287 11.4533 CTL2 3953 3955 3956 3957 -0.18 3957 3955 H11 SLES 1 -5.54879 -30.9154 12.2012 HAL2 3954 0 0 0 0.09 3958 3956 H12 SLES 1 -3.82871 -31.3722 11.9341 HAL2 3954 0 0 0 0.09 3959 3957 C2 SLES 1 -4.74994 -30.2768 10.2408 CTL2 3954 3958 3959 3960 -0.18 3960 3958 H21 SLES 1 -5.00738 -30.8152 9.30126 HAL2 3957 0 0 0 0.09 3961 3959 H22 SLES 1 -3.70703 -29.9027 10.1462 HAL2 3957 0 0 0 0.09 3962 3960 C3 SLES 1 -5.74346 -29.0279 10.4181 CTL2 3957 3961 3962 3963 -0.18 3963 3961 H31 SLES 1 -6.62836 -29.1737 9.75938 HAL2 3960 0 0 0 0.09 3964 3962 H32 SLES 1 -6.10157 -28.9971 11.4665 HAL2 3960 0 0 0 0.09 3965 3963 C4 SLES 1 -5.06356 -27.6401 10.0659 CTL2 3960 3964 3965 3966 -0.18 3966 3964 H41 SLES 1 -5.39806 -27.3217 9.0565 HAL2 3963 0 0 0 0.09 3967 3965 H42 SLES 1 -3.96046 -27.7715 10.0353 HAL2 3963 0 0 0 0.09 3968 3966 C5 SLES 1 -5.42018 -26.4964 11.1192 CTL2 3963 3967 3968 3969 -0.18 3969 3967 H51 SLES 1 -6.32002 -26.8027 11.697 HAL2 3966 0 0 0 0.09 3970 3968 H52 SLES 1 -4.57435 -26.3867 11.8358 HAL2 3966 0 0 0 0.09 3971 3969 C6 SLES 1 -5.70043 -25.1027 10.4405 CTL2 3966 3970 3971 3972 -0.18 3972 3970 H61 SLES 1 -6.682 -25.1448 9.91723 HAL2 3969 0 0 0 0.09 3973 3971 H62 SLES 1 -5.76741 -24.321 11.2329 HAL2 3969 0 0 0 0.09 3974 3972 C7 SLES 1 -4.59446 -24.6948 9.41646 CTL2 3969 3973 3974 3975 -0.18 3975 3973 H71 SLES 1 -4.78507 -25.2134 8.45083 HAL2 3972 0 0 0 0.09 3976 3974 H72 SLES 1 -3.60421 -25.0306 9.79717 HAL2 3972 0 0 0 0.09 3977 3975 C8 SLES 1 -4.54727 -23.1668 9.16617 CTL2 3972 3976 3977 3978 -0.18 3978 3976 H81 SLES 1 -5.58413 -22.7918 9.00578 HAL2 3975 0 0 0 0.09 3979 3977 H82 SLES 1 -4.13493 -22.6626 10.0697 HAL2 3975 0 0 0 0.09 3980 3978 C9 SLES 1 -3.67893 -22.7948 7.93818 CTL2 3975 3979 3980 3981 -0.18 3981 3979 H91 SLES 1 -4.07412 -23.3228 7.04071 HAL2 3978 0 0 0 0.09 3982 3980 H92 SLES 1 -2.63648 -23.1452 8.11141 HAL2 3978 0 0 0 0.09 3983 3981 C10 SLES 1 -3.66021 -21.273 7.66034 CTL2 3978 3982 3983 3984 -0.18 3984 3982 H10 SLES 1 -4.70043 -20.9264 7.46392 HAL2 3981 0 0 0 0.09 3985 3983 H10 SLES 1 -3.28602 -20.7428 8.56522 HAL2 3981 0 0 0 0.09 3986 3984 C11 SLES 1 -2.76503 -20.9012 6.44859 CTL2 3981 3985 3986 3987 -0.18 3987 3985 H11 SLES 1 -3.14744 -21.4286 5.54485 HAL2 3984 0 0 0 0.09 3988 3986 H11 SLES 1 -1.73026 -21.2656 6.64186 HAL2 3984 0 0 0 0.09 3989 3987 C12 SLES 1 -2.71211 -19.3796 6.15426 CTL3 3984 3988 3989 3990 -0.27 3990 3988 H12 SLES 1 -3.07931 -19.1721 5.12498 HAL3 3987 0 0 0 0.09 3991 3989 H12 SLES 1 -1.66813 -19.0054 6.24032 HAL3 3987 0 0 0 0.09 3992 3990 H12 SLES 1 -3.34859 -18.8233 6.8764 HAL3 3987 0 0 0 0.09 3993 3991 NA SLES 1 -18.2081 -38.0521 13.1371 NA 0 0 0 0 1 3994 3992 S SLES 1 -19.9541 -35.0969 14.3895 SL 3993 3994 3995 3996 1.33 3995 3993 OS1 SLES 1 -18.5473 -35.051 13.4805 OSL 3992 3997 0 0 -0.28 3996 3994 OS2 SLES 1 -20.9325 -35.807 13.592 O2L 3992 0 0 0 -0.65 3997 3995 OS3 SLES 1 -19.6404 -35.8607 15.5789 O2L 3992 0 0 0 -0.65 3998 3996 OS4 SLES 1 -20.4732 -33.7909 14.7628 O2L 3992 0 0 0 -0.65 3999 3997 C2 SLES 1 -18.2366 -33.6496 13.0806 CC32A 3993 3998 3999 4000 -0.11 4000 3998 H2A SLES 1 -19.1079 -33.1896 12.5361 HCA2 3997 0 0 0 0.09 4001 3999 H2B SLES 1 -18.0305 -33.0502 14.0103 HCA2 3997 0 0 0 0.09 4002 4000 C1 SLES 1 -16.9439 -33.6426 12.1347 CC32A 3997 4001 4002 4003 -0.01 4003 4001 H1B SLES 1 -17.1134 -34.3069 11.2562 HCA2 4000 0 0 0 0.09 4004 4002 H1A SLES 1 -16.0578 -34.0141 12.7003 HCA2 4000 0 0 0 0.09 4005 4003 O1 SLES 1 -16.483 -32.3836 11.5181 OC30A 4000 4004 0 0 -0.34 4006 4004 C2 SLES 1 -16.9699 -31.1599 12.1081 CC32A 4003 4005 4006 4007 -0.01 4007 4005 H2A SLES 1 -18.064 -31.2626 11.9697 HCA2 4004 0 0 0 0.09 4008 4006 H2B SLES 1 -16.7298 -31.3013 13.1859 HCA2 4004 0 0 0 0.09 4009 4007 C1 SLES 1 -16.5197 -29.7359 11.6532 CC32A 4004 4008 4009 4010 -0.01 4010 4008 H1B SLES 1 -17.2028 -29.3622 10.8595 HCA2 4007 0 0 0 0.09 4011 4009 H1A SLES 1 -16.5673 -29.0436 12.5175 HCA2 4007 0 0 0 0.09 4012 4010 O1 SLES 1 -15.227 -29.4655 11.0219 OC30A 4007 4011 0 0 -0.34 4013 4011 C1 SLES 1 -14.6791 -28.1202 11.2745 CTL2 4010 4012 4013 4014 -0.18 4014 4012 H11 SLES 1 -15.4799 -27.5263 11.7512 HAL2 4011 0 0 0 0.09 4015 4013 H12 SLES 1 -13.9006 -28.3419 12.0336 HAL2 4011 0 0 0 0.09 4016 4014 C2 SLES 1 -14.0464 -27.2974 10.0834 CTL2 4011 4015 4016 4017 -0.18 4017 4015 H21 SLES 1 -14.1463 -27.8831 9.14221 HAL2 4014 0 0 0 0.09 4018 4016 H22 SLES 1 -12.9621 -27.1502 10.2815 HAL2 4014 0 0 0 0.09 4019 4017 C3 SLES 1 -14.7449 -25.865 9.88589 CTL2 4014 4018 4019 4020 -0.18 4020 4018 H31 SLES 1 -15.4213 -25.9115 9.00353 HAL2 4017 0 0 0 0.09 4021 4019 H32 SLES 1 -15.3637 -25.6389 10.777 HAL2 4017 0 0 0 0.09 4022 4020 C4 SLES 1 -13.7018 -24.6909 9.67262 CTL2 4017 4021 4022 4023 -0.18 4023 4021 H41 SLES 1 -13.6629 -24.4361 8.59294 HAL2 4020 0 0 0 0.09 4024 4022 H42 SLES 1 -12.692 -25.0398 9.97861 HAL2 4020 0 0 0 0.09 4025 4023 C5 SLES 1 -14.0719 -23.3815 10.5052 CTL2 4020 4024 4025 4026 -0.18 4026 4024 H51 SLES 1 -15.1416 -23.4329 10.8063 HAL2 4023 0 0 0 0.09 4027 4025 H52 SLES 1 -13.4561 -23.3556 11.4332 HAL2 4023 0 0 0 0.09 4028 4026 C6 SLES 1 -13.8339 -22.0515 9.69534 CTL2 4023 4027 4028 4029 -0.18 4029 4027 H61 SLES 1 -14.6151 -21.9617 8.90747 HAL2 4026 0 0 0 0.09 4030 4028 H62 SLES 1 -13.9419 -21.1827 10.386 HAL2 4026 0 0 0 0.09 4031 4029 C7 SLES 1 -12.4251 -21.9952 9.02435 CTL2 4026 4030 4031 4032 -0.18 4032 4030 H71 SLES 1 -12.4509 -22.578 8.07701 HAL2 4029 0 0 0 0.09 4033 4031 H72 SLES 1 -11.6806 -22.4715 9.70053 HAL2 4029 0 0 0 0.09 4034 4032 C8 SLES 1 -11.9701 -20.5477 8.71234 CTL2 4029 4033 4034 4035 -0.18 4035 4033 H81 SLES 1 -12.8105 -19.9978 8.23008 HAL2 4032 0 0 0 0.09 4036 4034 H82 SLES 1 -11.7231 -20.0301 9.66718 HAL2 4032 0 0 0 0.09 4037 4035 C9 SLES 1 -10.7347 -20.5041 7.77845 CTL2 4032 4036 4037 4038 -0.18 4038 4036 H91 SLES 1 -10.9726 -21.0474 6.83587 HAL2 4035 0 0 0 0.09 4039 4037 H92 SLES 1 -9.88706 -21.0297 8.27321 HAL2 4035 0 0 0 0.09 4040 4038 C10 SLES 1 -10.3 -19.0603 7.43209 CTL2 4035 4039 4040 4041 -0.18 4041 4039 H10 SLES 1 -11.1399 -18.5415 6.91611 HAL2 4038 0 0 0 0.09 4042 4040 H10 SLES 1 -10.0832 -18.5096 8.37537 HAL2 4038 0 0 0 0.09 4043 4041 C11 SLES 1 -9.04404 -19.0201 6.52166 CTL2 4038 4042 4043 4044 -0.18 4044 4042 H11 SLES 1 -9.2682 -19.5662 5.57686 HAL2 4041 0 0 0 0.09 4045 4043 H11 SLES 1 -8.21232 -19.5555 7.03405 HAL2 4041 0 0 0 0.09 4046 4044 C12 SLES 1 -8.5729 -17.5852 6.16975 CTL3 4041 4045 4046 4047 -0.27 4047 4045 H12 SLES 1 -8.58379 -17.4342 5.06774 HAL3 4044 0 0 0 0.09 4048 4046 H12 SLES 1 -7.53777 -17.4165 6.5404 HAL3 4044 0 0 0 0.09 4049 4047 H12 SLES 1 -9.24381 -16.8319 6.63721 HAL3 4044 0 0 0 0.09 4050 4048 NA SLES 1 -29.1276 -30.4053 13.386 NA 0 0 0 0 1 4051 4049 S SLES 1 -30.3645 -26.9796 13.6788 SL 4050 4051 4052 4053 1.33 4052 4050 OS1 SLES 1 -28.8191 -27.3885 13.1768 OSL 4049 4054 0 0 -0.28 4053 4051 OS2 SLES 1 -31.2774 -27.6368 12.7666 O2L 4049 0 0 0 -0.65 4054 4052 OS3 SLES 1 -30.5152 -27.5318 15.0089 O2L 4049 0 0 0 -0.65 4055 4053 OS4 SLES 1 -30.6319 -25.5505 13.7032 O2L 4049 0 0 0 -0.65 4056 4054 C2 SLES 1 -28.1056 -26.183 12.6688 CC32A 4050 4055 4056 4057 -0.11 4057 4055 H2A SLES 1 -28.6987 -25.6854 11.8516 HCA2 4054 0 0 0 0.09 4058 4056 H2B SLES 1 -27.9786 -25.458 13.52 HCA2 4054 0 0 0 0.09 4059 4057 C1 SLES 1 -26.6689 -26.615 12.1073 CC32A 4054 4058 4059 4060 -0.01 4060 4058 H1B SLES 1 -26.788 -27.3989 11.3243 HCA2 4057 0 0 0 0.09 4061 4059 H1A SLES 1 -26.0457 -27.0261 12.9353 HCA2 4057 0 0 0 0.09 4062 4060 O1 SLES 1 -25.7981 -25.6188 11.4536 OC30A 4057 4061 0 0 -0.34 4063 4061 C2 SLES 1 -26.1031 -24.2309 11.7052 CC32A 4060 4062 4063 4064 -0.01 4064 4062 H2A SLES 1 -27.1307 -24.1489 11.3001 HCA2 4061 0 0 0 0.09 4065 4063 H2B SLES 1 -26.1517 -24.1939 12.8168 HCA2 4061 0 0 0 0.09 4066 4064 C1 SLES 1 -25.24 -23.0415 11.1783 CC32A 4061 4065 4066 4067 -0.01 4067 4065 H1B SLES 1 -25.6194 -22.7134 10.1861 HCA2 4064 0 0 0 0.09 4068 4066 H1A SLES 1 -25.3163 -22.1921 11.8863 HCA2 4064 0 0 0 0.09 4069 4067 O1 SLES 1 -23.812 -23.1567 10.8774 OC30A 4064 4068 0 0 -0.34 4070 4068 C1 SLES 1 -23.0341 -21.9179 11.0622 CTL2 4067 4069 4070 4071 -0.18 4071 4069 H11 SLES 1 -23.7587 -21.098 11.2169 HAL2 4068 0 0 0 0.09 4072 4070 H12 SLES 1 -22.5209 -22.1253 12.024 HAL2 4068 0 0 0 0.09 4073 4071 C2 SLES 1 -21.9743 -21.4901 9.97128 CTL2 4068 4072 4073 4074 -0.18 4074 4072 H21 SLES 1 -21.9951 -22.2245 9.13523 HAL2 4071 0 0 0 0.09 4075 4073 H22 SLES 1 -20.959 -21.5154 10.4242 HAL2 4071 0 0 0 0.09 4076 4074 C3 SLES 1 -22.2532 -20.0212 9.38551 CTL2 4071 4075 4076 4077 -0.18 4077 4075 H31 SLES 1 -22.7053 -20.1158 8.37312 HAL2 4074 0 0 0 0.09 4078 4076 H32 SLES 1 -22.9855 -19.5051 10.0379 HAL2 4074 0 0 0 0.09 4079 4077 C4 SLES 1 -20.9426 -19.1359 9.28247 CTL2 4074 4078 4079 4080 -0.18 4080 4078 H41 SLES 1 -20.603 -19.1177 8.22582 HAL2 4077 0 0 0 0.09 4081 4079 H42 SLES 1 -20.1387 -19.6016 9.89238 HAL2 4077 0 0 0 0.09 4082 4080 C5 SLES 1 -21.1715 -17.6387 9.78329 CTL2 4077 4081 4082 4083 -0.18 4083 4081 H51 SLES 1 -22.2627 -17.4229 9.7958 HAL2 4080 0 0 0 0.09 4084 4082 H52 SLES 1 -20.7919 -17.5431 10.8262 HAL2 4080 0 0 0 0.09 4085 4083 C6 SLES 1 -20.4513 -16.5712 8.87612 CTL2 4080 4084 4085 4086 -0.18 4086 4084 H61 SLES 1 -20.9917 -16.4957 7.90586 HAL2 4083 0 0 0 0.09 4087 4085 H62 SLES 1 -20.5042 -15.576 9.37648 HAL2 4083 0 0 0 0.09 4088 4086 C7 SLES 1 -18.9551 -16.9221 8.59983 CTL2 4083 4087 4088 4089 -0.18 4089 4087 H71 SLES 1 -18.9036 -17.6692 7.777 HAL2 4086 0 0 0 0.09 4090 4088 H72 SLES 1 -18.5153 -17.3844 9.51154 HAL2 4086 0 0 0 0.09 4091 4089 C8 SLES 1 -18.114 -15.6821 8.20686 CTL2 4086 4090 4091 4092 -0.18 4092 4090 H81 SLES 1 -18.6708 -15.0913 7.44367 HAL2 4089 0 0 0 0.09 4093 4091 H82 SLES 1 -17.9733 -15.0383 9.10489 HAL2 4089 0 0 0 0.09 4094 4092 C9 SLES 1 -16.7256 -16.0654 7.63617 CTL2 4089 4093 4094 4095 -0.18 4095 4093 H91 SLES 1 -16.8665 -16.7331 6.75604 HAL2 4092 0 0 0 0.09 4096 4094 H92 SLES 1 -16.1591 -16.6316 8.40952 HAL2 4092 0 0 0 0.09 4097 4095 C10 SLES 1 -15.8969 -14.832 7.20565 CTL2 4092 4096 4097 4098 -0.18 4098 4096 H10 SLES 1 -16.4529 -14.2782 6.41511 HAL2 4095 0 0 0 0.09 4099 4097 H10 SLES 1 -15.7743 -14.1531 8.07977 HAL2 4095 0 0 0 0.09 4100 4098 C11 SLES 1 -14.4951 -15.2178 6.66324 CTL2 4095 4099 4100 4101 -0.18 4101 4099 H11 SLES 1 -14.6232 -15.8913 5.78505 HAL2 4098 0 0 0 0.09 4102 4100 H11 SLES 1 -13.9499 -15.7868 7.45066 HAL2 4098 0 0 0 0.09 4103 4101 C12 SLES 1 -13.6328 -14.0011 6.23839 CTL3 4098 4102 4103 4104 -0.27 4104 4102 H12 SLES 1 -13.3597 -14.0777 5.16278 HAL3 4101 0 0 0 0.09 4105 4103 H12 SLES 1 -12.6976 -13.9614 6.83949 HAL3 4101 0 0 0 0.09 4106 4104 H12 SLES 1 -14.1949 -13.0547 6.39473 HAL3 4101 0 0 0 0.09 4107 4105 NA SLES 1 -37.1872 -19.54 13.6888 NA 0 0 0 0 1 4108 4106 S SLES 1 -37.6014 -15.9867 12.9449 SL 4107 4108 4109 4110 1.33 4109 4107 OS1 SLES 1 -36.1411 -16.8051 12.8725 OSL 4106 4111 0 0 -0.28 4110 4108 OS2 SLES 1 -38.499 -16.6722 12.0382 O2L 4106 0 0 0 -0.65 4111 4109 OS3 SLES 1 -38.0748 -16.1272 14.306 O2L 4106 0 0 0 -0.65 4112 4110 OS4 SLES 1 -37.5211 -14.5784 12.5918 O2L 4106 0 0 0 -0.65 4113 4111 C2 SLES 1 -35.0937 -15.939 12.2618 CC32A 4107 4112 4113 4114 -0.11 4114 4112 H2A SLES 1 -35.4233 -15.5703 11.2505 HCA2 4111 0 0 0 0.09 4115 4113 H2B SLES 1 -34.9253 -15.0534 12.9353 HCA2 4111 0 0 0 0.09 4116 4114 C1 SLES 1 -33.7345 -16.7739 12.1158 CC32A 4111 4115 4116 4117 -0.01 4117 4115 H1B SLES 1 -33.9195 -17.6986 11.5221 HCA2 4114 0 0 0 0.09 4118 4116 H1A SLES 1 -33.357 -17.0638 13.1241 HCA2 4114 0 0 0 0.09 4119 4117 O1 SLES 1 -32.5644 -16.1745 11.4454 OC30A 4114 4118 0 0 -0.34 4120 4118 C2 SLES 1 -32.5637 -14.7377 11.3106 CC32A 4117 4119 4120 4121 -0.01 4121 4119 H2A SLES 1 -33.4704 -14.5683 10.6974 HCA2 4118 0 0 0 0.09 4122 4120 H2B SLES 1 -32.7663 -14.3991 12.3516 HCA2 4118 0 0 0 0.09 4123 4121 C1 SLES 1 -31.3737 -13.9207 10.7158 CC32A 4118 4122 4123 4124 -0.01 4124 4122 H1B SLES 1 -31.5126 -13.7997 9.61939 HCA2 4121 0 0 0 0.09 4125 4123 H1A SLES 1 -31.3495 -12.9161 11.1836 HCA2 4121 0 0 0 0.09 4126 4124 O1 SLES 1 -29.986 -14.3857 10.7451 OC30A 4121 4125 0 0 -0.34 4127 4125 C1 SLES 1 -28.9715 -13.3171 10.8002 CTL2 4124 4126 4127 4128 -0.18 4128 4126 H11 SLES 1 -29.4945 -12.3613 10.6156 HAL2 4125 0 0 0 0.09 4129 4127 H12 SLES 1 -28.671 -13.3579 11.8675 HAL2 4125 0 0 0 0.09 4130 4128 C2 SLES 1 -27.6906 -13.4069 9.87948 CTL2 4125 4129 4130 4131 -0.18 4131 4129 H21 SLES 1 -27.7616 -14.318 9.24407 HAL2 4128 0 0 0 0.09 4132 4130 H22 SLES 1 -26.7893 -13.5076 10.523 HAL2 4128 0 0 0 0.09 4133 4131 C3 SLES 1 -27.5214 -12.1203 8.93376 CTL2 4128 4132 4133 4134 -0.18 4134 4132 H31 SLES 1 -27.8278 -12.39 7.89855 HAL2 4131 0 0 0 0.09 4135 4133 H32 SLES 1 -28.198 -11.3182 9.29039 HAL2 4131 0 0 0 0.09 4136 4134 C4 SLES 1 -26.0372 -11.565 8.90234 CTL2 4131 4135 4136 4137 -0.18 4137 4135 H41 SLES 1 -25.5503 -11.8933 7.96035 HAL2 4134 0 0 0 0.09 4138 4136 H42 SLES 1 -25.4671 -11.9993 9.7517 HAL2 4134 0 0 0 0.09 4139 4137 C5 SLES 1 -25.9744 -9.97378 8.99577 CTL2 4134 4138 4139 4140 -0.18 4140 4138 H51 SLES 1 -26.9722 -9.55525 8.73743 HAL2 4137 0 0 0 0.09 4141 4139 H52 SLES 1 -25.7418 -9.68098 10.0451 HAL2 4137 0 0 0 0.09 4142 4140 C6 SLES 1 -24.8943 -9.34481 8.03711 CTL2 4137 4141 4142 4143 -0.18 4143 4141 H61 SLES 1 -25.2511 -9.42568 6.98582 HAL2 4140 0 0 0 0.09 4144 4142 H62 SLES 1 -24.7821 -8.26204 8.27896 HAL2 4140 0 0 0 0.09 4145 4143 C7 SLES 1 -23.5008 -10.0393 8.15682 CTL2 4140 4144 4145 4146 -0.18 4146 4144 H71 SLES 1 -23.5075 -10.9727 7.5515 HAL2 4143 0 0 0 0.09 4147 4145 H72 SLES 1 -23.3241 -10.3199 9.21905 HAL2 4143 0 0 0 0.09 4148 4146 C8 SLES 1 -22.3398 -9.1347 7.67385 CTL2 4143 4147 4148 4149 -0.18 4149 4147 H81 SLES 1 -22.6203 -8.67077 6.70045 HAL2 4146 0 0 0 0.09 4150 4148 H82 SLES 1 -22.1845 -8.31617 8.41311 HAL2 4146 0 0 0 0.09 4151 4149 C9 SLES 1 -21.0139 -9.91678 7.49841 CTL2 4146 4150 4151 4152 -0.18 4152 4150 H91 SLES 1 -21.1779 -10.7532 6.78155 HAL2 4149 0 0 0 0.09 4153 4151 H92 SLES 1 -20.7198 -10.3567 8.47794 HAL2 4149 0 0 0 0.09 4154 4152 C10 SLES 1 -19.8608 -9.02602 6.97864 CTL2 4149 4153 4154 4155 -0.18 4155 4153 H10 SLES 1 -20.1453 -8.60437 5.98766 HAL2 4152 0 0 0 0.09 4156 4154 H10 SLES 1 -19.711 -8.17706 7.68351 HAL2 4152 0 0 0 0.09 4157 4155 C11 SLES 1 -18.5269 -9.80553 6.83343 CTL2 4152 4156 4157 4158 -0.18 4158 4156 H11 SLES 1 -18.6801 -10.6493 6.12232 HAL2 4155 0 0 0 0.09 4159 4157 H11 SLES 1 -18.2559 -10.2402 7.82265 HAL2 4155 0 0 0 0.09 4160 4158 C12 SLES 1 -17.3463 -8.93555 6.32964 CTL3 4155 4159 4160 4161 -0.27 4161 4159 H12 SLES 1 -16.943 -9.34539 5.37742 HAL3 4158 0 0 0 0.09 4162 4160 H12 SLES 1 -16.5284 -8.92007 7.08342 HAL3 4158 0 0 0 0.09 4163 4161 H12 SLES 1 -17.6835 -7.89124 6.15123 HAL3 4158 0 0 0 0.09 4164 4162 NA SLES 1 -41.4141 -6.47847 13.9638 NA 0 0 0 0 1 4165 4163 S SLES 1 -40.9497 -3.30384 12.2155 SL 4164 4165 4166 4167 1.33 4166 4164 OS1 SLES 1 -39.7176 -4.38843 12.5518 OSL 4163 4168 0 0 -0.28 4167 4165 OS2 SLES 1 -41.9297 -4.02874 11.4335 O2L 4163 0 0 0 -0.65 4168 4166 OS3 SLES 1 -41.5182 -2.93103 13.4939 O2L 4163 0 0 0 -0.65 4169 4167 OS4 SLES 1 -40.525 -2.11321 11.4969 O2L 4163 0 0 0 -0.65 4170 4168 C2 SLES 1 -38.4652 -3.97882 11.8561 CC32A 4164 4169 4170 4171 -0.11 4171 4169 H2A SLES 1 -38.643 -3.86939 10.7499 HCA2 4168 0 0 0 0.09 4172 4170 H2B SLES 1 -38.1338 -2.98703 12.2717 HCA2 4168 0 0 0 0.09 4173 4171 C1 SLES 1 -37.331 -5.07999 12.1146 CC32A 4168 4172 4173 4174 -0.01 4174 4172 H1B SLES 1 -37.6921 -6.081 11.7839 HCA2 4171 0 0 0 0.09 4175 4173 H1A SLES 1 -37.0882 -5.1268 13.2018 HCA2 4171 0 0 0 0.09 4176 4174 O1 SLES 1 -36.0181 -4.96206 11.4511 OC30A 4171 4175 0 0 -0.34 4177 4175 C2 SLES 1 -35.6762 -3.66339 10.9227 CC32A 4174 4176 4177 4178 -0.01 4178 4176 H2A SLES 1 -36.4831 -3.50225 10.1812 HCA2 4175 0 0 0 0.09 4179 4177 H2B SLES 1 -35.8527 -2.9954 11.7957 HCA2 4175 0 0 0 0.09 4180 4178 C1 SLES 1 -34.2977 -3.3242 10.2732 CC32A 4175 4179 4180 4181 -0.01 4181 4179 H1B SLES 1 -34.3431 -3.51026 9.17806 HCA2 4178 0 0 0 0.09 4182 4180 H1A SLES 1 -34.0672 -2.25325 10.4422 HCA2 4178 0 0 0 0.09 4183 4181 O1 SLES 1 -33.0597 -4.03414 10.5991 OC30A 4178 4182 0 0 -0.34 4184 4182 C1 SLES 1 -31.8296 -3.23041 10.4774 CTL2 4181 4183 4184 4185 -0.18 4185 4183 H11 SLES 1 -32.1052 -2.28716 9.97196 HAL2 4182 0 0 0 0.09 4186 4184 H12 SLES 1 -31.607 -3.01157 11.5422 HAL2 4182 0 0 0 0.09 4187 4185 C2 SLES 1 -30.5551 -3.85232 9.78084 CTL2 4182 4186 4187 4188 -0.18 4188 4186 H21 SLES 1 -30.8 -4.87652 9.42047 HAL2 4185 0 0 0 0.09 4189 4187 H22 SLES 1 -29.7393 -3.93939 10.5315 HAL2 4185 0 0 0 0.09 4190 4188 C3 SLES 1 -30.0392 -2.97032 8.54218 CTL2 4185 4189 4190 4191 -0.18 4191 4189 H31 SLES 1 -30.3413 -3.46775 7.59374 HAL2 4188 0 0 0 0.09 4192 4190 H32 SLES 1 -30.5299 -1.97724 8.57647 HAL2 4188 0 0 0 0.09 4193 4191 C4 SLES 1 -28.4672 -2.76738 8.53799 CTL2 4188 4192 4193 4194 -0.18 4194 4192 H41 SLES 1 -28.0179 -3.4546 7.79103 HAL2 4191 0 0 0 0.09 4195 4193 H42 SLES 1 -28.0619 -3.03572 9.53737 HAL2 4191 0 0 0 0.09 4196 4194 C5 SLES 1 -28.0421 -1.26936 8.19163 CTL2 4191 4195 4196 4197 -0.18 4197 4195 H51 SLES 1 -28.8993 -0.751276 7.70775 HAL2 4194 0 0 0 0.09 4198 4196 H52 SLES 1 -27.807 -0.731022 9.13813 HAL2 4194 0 0 0 0.09 4199 4197 C6 SLES 1 -26.7935 -1.19146 7.2344 CTL2 4194 4198 4199 4200 -0.18 4200 4198 H61 SLES 1 -27.0999 -1.50732 6.21194 HAL2 4197 0 0 0 0.09 4201 4199 H62 SLES 1 -26.4467 -0.133193 7.17702 HAL2 4197 0 0 0 0.09 4202 4200 C7 SLES 1 -25.6083 -2.08944 7.71108 CTL2 4197 4201 4202 4203 -0.18 4203 4201 H71 SLES 1 -25.7976 -3.13873 7.39341 HAL2 4200 0 0 0 0.09 4204 4202 H72 SLES 1 -25.5613 -2.07022 8.82273 HAL2 4200 0 0 0 0.09 4205 4203 C8 SLES 1 -24.2438 -1.62929 7.14016 CTL2 4200 4204 4205 4206 -0.18 4206 4204 H81 SLES 1 -24.3539 -1.42986 6.04952 HAL2 4203 0 0 0 0.09 4207 4205 H82 SLES 1 -23.9443 -0.677657 7.63549 HAL2 4203 0 0 0 0.09 4208 4206 C9 SLES 1 -23.128 -2.68316 7.35183 CTL2 4203 4207 4208 4209 -0.18 4209 4207 H91 SLES 1 -23.4412 -3.64299 6.88177 HAL2 4206 0 0 0 0.09 4210 4208 H92 SLES 1 -22.9994 -2.8612 8.44328 HAL2 4206 0 0 0 0.09 4211 4209 C10 SLES 1 -21.7723 -2.24526 6.74873 CTL2 4206 4210 4211 4212 -0.18 4212 4210 H10 SLES 1 -21.8952 -2.08964 5.65262 HAL2 4209 0 0 0 0.09 4213 4211 H10 SLES 1 -21.4692 -1.27439 7.20215 HAL2 4209 0 0 0 0.09 4214 4212 C11 SLES 1 -20.6499 -3.28935 6.98945 CTL2 4209 4213 4214 4215 -0.18 4215 4213 H11 SLES 1 -20.9547 -4.25655 6.52823 HAL2 4212 0 0 0 0.09 4216 4214 H11 SLES 1 -20.5431 -3.45486 8.08587 HAL2 4212 0 0 0 0.09 4217 4215 C12 SLES 1 -19.2732 -2.87169 6.41071 CTL3 4212 4216 4217 4218 -0.27 4218 4216 H12 SLES 1 -18.9234 -3.62085 5.66657 HAL3 4215 0 0 0 0.09 4219 4217 H12 SLES 1 -18.5176 -2.80038 7.22393 HAL3 4215 0 0 0 0.09 4220 4218 H12 SLES 1 -19.3482 -1.88234 5.90903 HAL3 4215 0 0 0 0.09 4221 4219 NA SLES 1 -41.196 7.43264 14.1324 NA 0 0 0 0 1 4222 4220 S SLES 1 -40.1169 9.74581 11.518 SL 4221 4222 4223 4224 1.33 4223 4221 OS1 SLES 1 -39.1414 8.56686 12.2005 OSL 4220 4225 0 0 -0.28 4224 4222 OS2 SLES 1 -41.2648 9.05666 10.9658 O2L 4220 0 0 0 -0.65 4225 4223 OS3 SLES 1 -40.5347 10.6033 12.6074 O2L 4220 0 0 0 -0.65 4226 4224 OS4 SLES 1 -39.4707 10.5385 10.4843 O2L 4220 0 0 0 -0.65 4227 4225 C2 SLES 1 -37.86 8.45785 11.448 CC32A 4221 4226 4227 4228 -0.11 4228 4226 H2A SLES 1 -38.0558 8.26576 10.3562 HCA2 4225 0 0 0 0.09 4229 4227 H2B SLES 1 -37.3007 9.42866 11.5525 HCA2 4225 0 0 0 0.09 4230 4228 C1 SLES 1 -36.9868 7.26193 12.0588 CC32A 4225 4229 4230 4231 -0.01 4231 4229 H1B SLES 1 -37.5735 6.31476 12.0371 HCA2 4228 0 0 0 0.09 4232 4230 H1A SLES 1 -36.7147 7.49188 13.1153 HCA2 4228 0 0 0 0.09 4233 4231 O1 SLES 1 -35.7094 6.87872 11.427 OC30A 4228 4232 0 0 -0.34 4234 4232 C2 SLES 1 -35.112 7.84739 10.5396 CC32A 4231 4233 4234 4235 -0.01 4235 4233 H2A SLES 1 -35.894 7.9533 9.76229 HCA2 4232 0 0 0 0.09 4236 4234 H2B SLES 1 -35.0998 8.76898 11.164 HCA2 4232 0 0 0 0.09 4237 4235 C1 SLES 1 -33.7213 7.65888 9.85575 CC32A 4232 4236 4237 4238 -0.01 4238 4236 H1B SLES 1 -33.8528 7.16662 8.8676 HCA2 4235 0 0 0 0.09 4239 4237 H1A SLES 1 -33.2533 8.65129 9.69861 HCA2 4235 0 0 0 0.09 4240 4238 O1 SLES 1 -32.6579 6.82284 10.4151 OC30A 4235 4239 0 0 -0.34 4241 4239 C1 SLES 1 -31.287 7.25709 10.0893 CTL2 4238 4240 4241 4242 -0.18 4242 4240 H11 SLES 1 -31.3688 8.04081 9.31457 HAL2 4239 0 0 0 0.09 4243 4241 H12 SLES 1 -30.9769 7.7311 11.0435 HAL2 4239 0 0 0 0.09 4244 4242 C2 SLES 1 -30.2117 6.18656 9.64901 CTL2 4239 4243 4244 4245 -0.18 4245 4243 H21 SLES 1 -30.6914 5.18303 9.60927 HAL2 4242 0 0 0 0.09 4246 4244 H22 SLES 1 -29.4042 6.15005 10.4128 HAL2 4242 0 0 0 0.09 4247 4245 C3 SLES 1 -29.5665 6.51614 8.21596 CTL2 4242 4246 4247 4248 -0.18 4248 4246 H31 SLES 1 -30.0108 5.83665 7.45487 HAL2 4245 0 0 0 0.09 4249 4247 H32 SLES 1 -29.8242 7.5566 7.93439 HAL2 4245 0 0 0 0.09 4250 4248 C4 SLES 1 -27.9902 6.35258 8.19347 CTL2 4245 4249 4250 4251 -0.18 4251 4249 H41 SLES 1 -27.7354 5.39027 7.70237 HAL2 4248 0 0 0 0.09 4252 4250 H42 SLES 1 -27.6123 6.31447 9.23788 HAL2 4248 0 0 0 0.09 4253 4251 C5 SLES 1 -27.26 7.54233 7.42136 CTL2 4248 4252 4253 4254 -0.18 4254 4252 H51 SLES 1 -28.0015 8.06804 6.78004 HAL2 4251 0 0 0 0.09 4255 4253 H52 SLES 1 -26.8722 8.27413 8.16638 HAL2 4251 0 0 0 0.09 4256 4254 C6 SLES 1 -26.0665 7.04786 6.52003 CTL2 4251 4255 4256 4257 -0.18 4257 4255 H61 SLES 1 -26.4779 6.51535 5.63331 HAL2 4254 0 0 0 0.09 4258 4256 H62 SLES 1 -25.4976 7.93441 6.15427 HAL2 4254 0 0 0 0.09 4259 4257 C7 SLES 1 -25.0896 6.09467 7.27855 CTL2 4254 4258 4259 4260 -0.18 4260 4258 H71 SLES 1 -25.5189 5.06836 7.2886 HAL2 4257 0 0 0 0.09 4261 4259 H72 SLES 1 -24.9927 6.43686 8.33299 HAL2 4257 0 0 0 0.09 4262 4260 C8 SLES 1 -23.6825 6.04511 6.63259 CTL2 4257 4261 4262 4263 -0.18 4263 4261 H81 SLES 1 -23.7919 5.92605 5.5302 HAL2 4260 0 0 0 0.09 4264 4262 H82 SLES 1 -23.1599 7.00984 6.82437 HAL2 4260 0 0 0 0.09 4265 4263 C9 SLES 1 -22.8189 4.88305 7.18397 CTL2 4260 4264 4265 4266 -0.18 4266 4264 H91 SLES 1 -23.3557 3.9214 7.01838 HAL2 4263 0 0 0 0.09 4267 4265 H92 SLES 1 -22.6868 5.01807 8.28116 HAL2 4263 0 0 0 0.09 4268 4266 C10 SLES 1 -21.4266 4.80514 6.51387 CTL2 4263 4267 4268 4269 -0.18 4269 4267 H10 SLES 1 -21.5583 4.64665 5.41919 HAL2 4266 0 0 0 0.09 4270 4268 H10 SLES 1 -20.898 5.77426 6.66 HAL2 4266 0 0 0 0.09 4271 4269 C11 SLES 1 -20.5531 3.65939 7.09015 CTL2 4266 4270 4271 4272 -0.18 4272 4270 H11 SLES 1 -21.0829 2.69171 6.93543 HAL2 4269 0 0 0 0.09 4273 4271 H11 SLES 1 -20.4393 3.8124 8.18768 HAL2 4269 0 0 0 0.09 4274 4272 C12 SLES 1 -19.1439 3.56538 6.44995 CTL3 4269 4273 4274 4275 -0.27 4275 4273 H12 SLES 1 -18.9997 2.56869 5.97756 HAL3 4272 0 0 0 0.09 4276 4274 H12 SLES 1 -18.3575 3.70799 7.2237 HAL3 4272 0 0 0 0.09 4277 4275 H12 SLES 1 -19.0199 4.34825 5.67028 HAL3 4272 0 0 0 0.09 4278 4276 NA SLES 1 -36.4107 20.6582 14.1273 NA 0 0 0 0 1 4279 4277 S SLES 1 -35.2369 21.8423 10.8761 SL 4278 4279 4280 4281 1.33 4280 4278 OS1 SLES 1 -34.4464 20.6958 11.8078 OSL 4277 4282 0 0 -0.28 4281 4279 OS2 SLES 1 -36.5678 21.3251 10.6344 O2L 4277 0 0 0 -0.65 4282 4280 OS3 SLES 1 -35.3136 23.0383 11.6886 O2L 4277 0 0 0 -0.65 4283 4281 OS4 SLES 1 -34.5856 22.1443 9.61152 O2L 4277 0 0 0 -0.65 4284 4282 C2 SLES 1 -33.3308 20.0818 11.034 CC32A 4278 4283 4284 4285 -0.11 4285 4283 H2A SLES 1 -33.7091 19.6523 10.0647 HCA2 4282 0 0 0 0.09 4286 4284 H2B SLES 1 -32.5716 20.8807 10.8068 HCA2 4282 0 0 0 0.09 4287 4285 C1 SLES 1 -32.6528 18.9244 11.9096 CC32A 4282 4286 4287 4288 -0.01 4288 4286 H1B SLES 1 -33.4222 18.1767 12.2106 HCA2 4285 0 0 0 0.09 4289 4287 H1A SLES 1 -32.1974 19.3613 12.8288 HCA2 4285 0 0 0 0.09 4290 4288 O1 SLES 1 -31.5821 18.0888 11.3324 OC30A 4285 4289 0 0 -0.34 4291 4289 C2 SLES 1 -30.9214 18.6063 10.1583 CC32A 4288 4290 4291 4292 -0.01 4292 4290 H2A SLES 1 -31.7621 18.6807 9.44105 HCA2 4289 0 0 0 0.09 4293 4291 H2B SLES 1 -30.6316 19.6322 10.479 HCA2 4289 0 0 0 0.09 4294 4292 C1 SLES 1 -29.7073 17.9107 9.46602 CC32A 4289 4293 4294 4295 -0.01 4295 4293 H1B SLES 1 -30.0721 17.2143 8.6799 HCA2 4292 0 0 0 0.09 4296 4294 H1A SLES 1 -29.0676 18.6803 8.98952 HCA2 4292 0 0 0 0.09 4297 4295 O1 SLES 1 -28.7766 17.029 10.1726 OC30A 4292 4296 0 0 -0.34 4298 4296 C1 SLES 1 -27.4025 17.016 9.63805 CTL2 4295 4297 4298 4299 -0.18 4299 4297 H11 SLES 1 -27.4229 17.5548 8.67344 HAL2 4296 0 0 0 0.09 4300 4298 H12 SLES 1 -26.8732 17.6433 10.3848 HAL2 4296 0 0 0 0.09 4301 4299 C2 SLES 1 -26.6455 15.6406 9.46111 CTL2 4296 4300 4301 4302 -0.18 4302 4300 H21 SLES 1 -27.3256 14.8098 9.75419 HAL2 4299 0 0 0 0.09 4303 4301 H22 SLES 1 -25.7674 15.621 10.1432 HAL2 4299 0 0 0 0.09 4304 4302 C3 SLES 1 -26.1467 15.4025 7.95348 CTL2 4299 4303 4304 4305 -0.18 4305 4303 H31 SLES 1 -26.8227 14.6685 7.46093 HAL2 4302 0 0 0 0.09 4306 4304 H32 SLES 1 -26.2165 16.3571 7.39477 HAL2 4302 0 0 0 0.09 4307 4305 C4 SLES 1 -24.6576 14.8658 7.87074 CTL2 4302 4306 4307 4308 -0.18 4308 4306 H41 SLES 1 -24.6793 13.7742 7.67051 HAL2 4305 0 0 0 0.09 4309 4307 H42 SLES 1 -24.1576 15.0242 8.85051 HAL2 4305 0 0 0 0.09 4310 4308 C5 SLES 1 -23.8063 15.5889 6.73172 CTL2 4305 4309 4310 4311 -0.18 4311 4309 H51 SLES 1 -24.5014 16.0819 6.01666 HAL2 4308 0 0 0 0.09 4312 4310 H52 SLES 1 -23.1762 16.3807 7.19739 HAL2 4308 0 0 0 0.09 4313 4311 C6 SLES 1 -22.8769 14.5963 5.93666 CTL2 4308 4312 4313 4314 -0.18 4314 4312 H61 SLES 1 -23.5074 13.9572 5.27859 HAL2 4311 0 0 0 0.09 4315 4313 H62 SLES 1 -22.19 15.1862 5.28581 HAL2 4311 0 0 0 0.09 4316 4314 C7 SLES 1 -22.0274 13.6804 6.87368 CTL2 4311 4315 4316 4317 -0.18 4317 4315 H71 SLES 1 -22.6568 12.8299 7.21744 HAL2 4314 0 0 0 0.09 4318 4316 H72 SLES 1 -21.7185 14.2634 7.76984 HAL2 4314 0 0 0 0.09 4319 4317 C8 SLES 1 -20.7632 13.1207 6.17509 CTL2 4314 4318 4319 4320 -0.18 4320 4318 H81 SLES 1 -21.044 12.7357 5.16797 HAL2 4317 0 0 0 0.09 4321 4319 H82 SLES 1 -20.029 13.9466 6.03534 HAL2 4317 0 0 0 0.09 4322 4320 C9 SLES 1 -20.0954 11.981 6.98463 CTL2 4317 4321 4322 4323 -0.18 4323 4321 H91 SLES 1 -20.8392 11.1686 7.14938 HAL2 4320 0 0 0 0.09 4324 4322 H92 SLES 1 -19.7899 12.3741 7.98047 HAL2 4320 0 0 0 0.09 4325 4323 C10 SLES 1 -18.8548 11.3919 6.27247 CTL2 4320 4324 4325 4326 -0.18 4326 4324 H10 SLES 1 -19.1643 10.9775 5.28594 HAL2 4323 0 0 0 0.09 4327 4325 H10 SLES 1 -18.1199 12.2079 6.08752 HAL2 4323 0 0 0 0.09 4328 4326 C11 SLES 1 -18.1705 10.2718 7.1002 CTL2 4323 4327 4328 4329 -0.18 4329 4327 H11 SLES 1 -18.9074 9.45505 7.27662 HAL2 4326 0 0 0 0.09 4330 4328 H11 SLES 1 -17.879 10.6861 8.0923 HAL2 4326 0 0 0 0.09 4331 4329 C12 SLES 1 -16.9128 9.67171 6.42011 CTL3 4326 4330 4331 4332 -0.27 4332 4330 H12 SLES 1 -17.0462 8.5797 6.2556 HAL3 4329 0 0 0 0.09 4333 4331 H12 SLES 1 -16.0162 9.82679 7.06006 HAL3 4329 0 0 0 0.09 4334 4332 H12 SLES 1 -16.7347 10.159 5.43675 HAL3 4329 0 0 0 0.09 4335 4333 NA SLES 1 -27.4931 31.6705 13.8991 NA 0 0 0 0 1 4336 4334 S SLES 1 -26.8318 31.7934 10.3078 SL 4335 4336 4337 4338 1.33 4337 4335 OS1 SLES 1 -26.1104 30.7138 11.3668 OSL 4334 4339 0 0 -0.28 4338 4336 OS2 SLES 1 -28.2605 31.5869 10.4244 O2L 4334 0 0 0 -0.65 4339 4337 OS3 SLES 1 -26.4852 33.1164 10.7831 O2L 4334 0 0 0 -0.65 4340 4338 OS4 SLES 1 -26.4211 31.6427 8.92101 O2L 4334 0 0 0 -0.65 4341 4339 C2 SLES 1 -25.3377 29.6879 10.6113 CC32A 4335 4340 4341 4342 -0.11 4342 4340 H2A SLES 1 -25.9959 29.1686 9.86016 HCA2 4339 0 0 0 0.09 4343 4341 H2B SLES 1 -24.4986 30.2025 10.0662 HCA2 4339 0 0 0 0.09 4344 4342 C1 SLES 1 -24.738 28.6142 11.6377 CC32A 4339 4343 4344 4345 -0.01 4345 4343 H1B SLES 1 -25.5606 28.1663 12.2414 HCA2 4342 0 0 0 0.09 4346 4344 H1A SLES 1 -24.0155 29.1103 12.3269 HCA2 4342 0 0 0 0.09 4347 4345 O1 SLES 1 -24.0111 27.4327 11.1341 OC30A 4342 4346 0 0 -0.34 4348 4346 C2 SLES 1 -23.5279 27.5025 9.77613 CC32A 4345 4347 4348 4349 -0.01 4349 4347 H2A SLES 1 -24.4701 27.6291 9.20783 HCA2 4346 0 0 0 0.09 4350 4348 H2B SLES 1 -22.9722 28.4671 9.76873 HCA2 4346 0 0 0 0.09 4351 4349 C1 SLES 1 -22.6602 26.3924 9.10368 CC32A 4346 4350 4351 4352 -0.01 4352 4350 H1B SLES 1 -23.3206 25.6573 8.59415 HCA2 4349 0 0 0 0.09 4353 4351 H1A SLES 1 -21.9949 26.8557 8.34783 HCA2 4349 0 0 0 0.09 4354 4352 O1 SLES 1 -21.7994 25.4791 9.85713 OC30A 4349 4353 0 0 -0.34 4355 4353 C1 SLES 1 -20.6054 25.0072 9.13209 CTL2 4352 4354 4355 4356 -0.18 4356 4354 H11 SLES 1 -20.7229 25.313 8.0767 HAL2 4353 0 0 0 0.09 4357 4355 H12 SLES 1 -19.8106 25.6273 9.5958 HAL2 4353 0 0 0 0.09 4358 4356 C2 SLES 1 -20.2019 23.4811 9.20007 CTL2 4353 4357 4358 4359 -0.18 4359 4357 H21 SLES 1 -20.958 22.9307 9.8036 HAL2 4356 0 0 0 0.09 4360 4358 H22 SLES 1 -19.2204 23.3894 9.71459 HAL2 4356 0 0 0 0.09 4361 4359 C3 SLES 1 -20.0997 22.8065 7.74648 CTL2 4356 4360 4361 4362 -0.18 4362 4360 H31 SLES 1 -21.0015 22.1773 7.57597 HAL2 4359 0 0 0 0.09 4363 4361 H32 SLES 1 -20.0918 23.6046 6.97753 HAL2 4359 0 0 0 0.09 4364 4362 C4 SLES 1 -18.8055 21.9088 7.56943 CTL2 4359 4363 4364 4365 -0.18 4365 4363 H41 SLES 1 -19.0926 20.8409 7.6658 HAL2 4362 0 0 0 0.09 4366 4364 H42 SLES 1 -18.0843 22.144 8.38159 HAL2 4362 0 0 0 0.09 4367 4365 C5 SLES 1 -18.0907 22.1324 6.16094 CTL2 4362 4366 4367 4368 -0.18 4368 4366 H51 SLES 1 -18.8078 22.6179 5.4628 HAL2 4365 0 0 0 0.09 4369 4367 H52 SLES 1 -17.2266 22.822 6.29813 HAL2 4365 0 0 0 0.09 4370 4368 C6 SLES 1 -17.5777 20.7912 5.51326 CTL2 4365 4369 4370 4371 -0.18 4371 4369 H61 SLES 1 -18.4524 20.2044 5.1532 HAL2 4368 0 0 0 0.09 4372 4370 H62 SLES 1 -16.9417 21.0355 4.6305 HAL2 4368 0 0 0 0.09 4373 4371 C7 SLES 1 -16.7517 19.9157 6.50802 CTL2 4368 4372 4373 4374 -0.18 4374 4372 H71 SLES 1 -17.4523 19.3449 7.15683 HAL2 4371 0 0 0 0.09 4375 4373 H72 SLES 1 -16.1442 20.5814 7.16075 HAL2 4371 0 0 0 0.09 4376 4374 C8 SLES 1 -15.8098 18.92 5.78632 CTL2 4371 4375 4376 4377 -0.18 4377 4375 H81 SLES 1 -16.3739 18.41 4.97201 HAL2 4374 0 0 0 0.09 4378 4376 H82 SLES 1 -14.9701 19.4851 5.32149 HAL2 4374 0 0 0 0.09 4379 4377 C9 SLES 1 -15.2305 17.8513 6.74681 CTL2 4374 4378 4379 4380 -0.18 4380 4378 H91 SLES 1 -16.0712 17.3065 7.23349 HAL2 4377 0 0 0 0.09 4381 4379 H92 SLES 1 -14.6436 18.3602 7.54436 HAL2 4377 0 0 0 0.09 4382 4380 C10 SLES 1 -14.32 16.8307 6.02361 CTL2 4377 4381 4382 4383 -0.18 4383 4381 H10 SLES 1 -14.9132 16.3048 5.24112 HAL2 4380 0 0 0 0.09 4384 4382 H10 SLES 1 -13.4915 17.3768 5.51818 HAL2 4380 0 0 0 0.09 4385 4383 C11 SLES 1 -13.7171 15.7803 6.99371 CTL2 4380 4384 4385 4386 -0.18 4386 4384 H11 SLES 1 -14.5496 15.2323 7.49152 HAL2 4383 0 0 0 0.09 4387 4385 H11 SLES 1 -13.14 16.312 7.7844 HAL2 4383 0 0 0 0.09 4388 4386 C12 SLES 1 -12.7856 14.7521 6.30115 CTL3 4383 4387 4388 4389 -0.27 4389 4387 H12 SLES 1 -13.1718 13.7195 6.44948 HAL3 4386 0 0 0 0.09 4390 4388 H12 SLES 1 -11.7598 14.8115 6.72724 HAL3 4386 0 0 0 0.09 4391 4389 H12 SLES 1 -12.7282 14.9555 5.20961 HAL3 4386 0 0 0 0.09 4392 4390 NA SLES 1 -15.4116 39.1717 13.4217 NA 0 0 0 0 1 4393 4391 S SLES 1 -15.7464 38.6338 9.82323 SL 4392 4393 4394 4395 1.33 4394 4392 OS1 SLES 1 -15.0048 37.5615 10.8758 OSL 4391 4396 0 0 -0.28 4395 4393 OS2 SLES 1 -17.0992 38.8125 10.3084 O2L 4391 0 0 0 -0.65 4396 4394 OS3 SLES 1 -15.015 39.8784 9.93472 O2L 4391 0 0 0 -0.65 4397 4395 OS4 SLES 1 -15.7712 38.197 8.43648 O2L 4391 0 0 0 -0.65 4398 4396 C2 SLES 1 -14.6997 36.2809 10.1779 CC32A 4392 4397 4398 4399 -0.11 4399 4397 H2A SLES 1 -15.6314 35.8473 9.71831 HCA2 4396 0 0 0 0.09 4400 4398 H2B SLES 1 -13.9533 36.4879 9.36164 HCA2 4396 0 0 0 0.09 4401 4399 C1 SLES 1 -14.0801 35.2405 11.2264 CC32A 4396 4400 4401 4402 -0.01 4402 4400 H1B SLES 1 -14.781 35.1012 12.0815 HCA2 4399 0 0 0 0.09 4403 4401 H1A SLES 1 -13.1098 35.6272 11.6166 HCA2 4399 0 0 0 0.09 4404 4402 O1 SLES 1 -13.7816 33.8566 10.8097 OC30A 4399 4403 0 0 -0.34 4405 4403 C2 SLES 1 -13.6843 33.6167 9.39002 CC32A 4402 4404 4405 4406 -0.01 4406 4404 H2A SLES 1 -14.6981 33.8986 9.04388 HCA2 4403 0 0 0 0.09 4407 4405 H2B SLES 1 -12.9633 34.3996 9.0635 HCA2 4403 0 0 0 0.09 4408 4406 C1 SLES 1 -13.2849 32.2428 8.76556 CC32A 4403 4407 4408 4409 -0.01 4409 4407 H1B SLES 1 -14.1976 31.6359 8.5791 HCA2 4406 0 0 0 0.09 4410 4408 H1A SLES 1 -12.7701 32.4158 7.79935 HCA2 4406 0 0 0 0.09 4411 4409 O1 SLES 1 -12.4612 31.2531 9.46181 OC30A 4406 4410 0 0 -0.34 4412 4410 C1 SLES 1 -11.6366 30.4009 8.58556 CTL2 4409 4411 4412 4413 -0.18 4413 4411 H11 SLES 1 -11.9716 30.5799 7.5478 HAL2 4410 0 0 0 0.09 4414 4412 H12 SLES 1 -10.6342 30.8574 8.71962 HAL2 4410 0 0 0 0.09 4415 4413 C2 SLES 1 -11.5575 28.8463 8.85636 CTL2 4410 4414 4415 4416 -0.18 4416 4414 H21 SLES 1 -12.2174 28.592 9.71584 HAL2 4413 0 0 0 0.09 4417 4415 H22 SLES 1 -10.5144 28.5806 9.13527 HAL2 4413 0 0 0 0.09 4418 4416 C3 SLES 1 -11.9995 27.9765 7.58101 CTL2 4413 4417 4418 4419 -0.18 4419 4417 H31 SLES 1 -13.0242 27.5781 7.75292 HAL2 4416 0 0 0 0.09 4420 4418 H32 SLES 1 -12.0357 28.6344 6.68991 HAL2 4416 0 0 0 0.09 4421 4419 C4 SLES 1 -11.0198 26.7657 7.28696 CTL2 4416 4420 4421 4422 -0.18 4422 4420 H41 SLES 1 -11.4859 25.8282 7.65585 HAL2 4419 0 0 0 0.09 4423 4421 H42 SLES 1 -10.0716 26.9194 7.84575 HAL2 4419 0 0 0 0.09 4424 4422 C5 SLES 1 -10.6869 26.6078 5.73488 CTL2 4419 4423 4424 4425 -0.18 4425 4423 H51 SLES 1 -11.4498 27.1589 5.14193 HAL2 4422 0 0 0 0.09 4426 4424 H52 SLES 1 -9.69415 27.069 5.52817 HAL2 4422 0 0 0 0.09 4427 4425 C6 SLES 1 -10.662 25.1053 5.26225 CTL2 4422 4426 4427 4428 -0.18 4428 4426 H61 SLES 1 -11.7041 24.715 5.23898 HAL2 4425 0 0 0 0.09 4429 4427 H62 SLES 1 -10.255 25.0587 4.22511 HAL2 4425 0 0 0 0.09 4430 4428 C7 SLES 1 -9.79713 24.1934 6.18898 CTL2 4425 4429 4430 4431 -0.18 4431 4429 H71 SLES 1 -10.3969 23.9117 7.08267 HAL2 4428 0 0 0 0.09 4432 4430 H72 SLES 1 -8.90937 24.7666 6.53778 HAL2 4428 0 0 0 0.09 4433 4431 C8 SLES 1 -9.3176 22.9036 5.47779 CTL2 4428 4432 4433 4434 -0.18 4434 4432 H81 SLES 1 -10.1762 22.4466 4.93436 HAL2 4431 0 0 0 0.09 4435 4433 H82 SLES 1 -8.53817 23.1698 4.72796 HAL2 4431 0 0 0 0.09 4436 4434 C9 SLES 1 -8.73408 21.8642 6.46749 CTL2 4431 4435 4436 4437 -0.18 4437 4435 H91 SLES 1 -9.50417 21.6208 7.23433 HAL2 4434 0 0 0 0.09 4438 4436 H92 SLES 1 -7.85886 22.3121 6.98986 HAL2 4434 0 0 0 0.09 4439 4437 C10 SLES 1 -8.28969 20.5583 5.76709 CTL2 4434 4438 4439 4440 -0.18 4440 4438 H10 SLES 1 -9.17027 20.0977 5.26388 HAL2 4437 0 0 0 0.09 4441 4439 H10 SLES 1 -7.53588 20.8034 4.98498 HAL2 4437 0 0 0 0.09 4442 4440 C11 SLES 1 -7.67757 19.5318 6.75682 CTL2 4437 4441 4442 4443 -0.18 4443 4441 H11 SLES 1 -8.43757 19.2846 7.53299 HAL2 4440 0 0 0 0.09 4444 4442 H11 SLES 1 -6.80862 20.003 7.27047 HAL2 4440 0 0 0 0.09 4445 4443 C12 SLES 1 -7.20664 18.2174 6.08221 CTL3 4440 4444 4445 4446 -0.27 4446 4444 H12 SLES 1 -7.74415 17.3458 6.51674 HAL3 4443 0 0 0 0.09 4447 4445 H12 SLES 1 -6.11454 18.0733 6.23685 HAL3 4443 0 0 0 0.09 4448 4446 H12 SLES 1 -7.40858 18.2492 4.98935 HAL3 4443 0 0 0 0.09 4449 4447 NA SLES 1 -1.54636 42.2912 12.6942 NA 0 0 0 0 1 4450 4448 S SLES 1 -3.06479 41.699 9.42406 SL 4449 4450 4451 4452 1.33 4451 4449 OS1 SLES 1 -2.29642 40.5235 10.3379 OSL 4448 4453 0 0 -0.28 4452 4450 OS2 SLES 1 -4.13246 42.2247 10.2494 O2L 4448 0 0 0 -0.65 4453 4451 OS3 SLES 1 -2.07729 42.7297 9.18115 O2L 4448 0 0 0 -0.65 4454 4452 OS4 SLES 1 -3.60419 41.223 8.16037 O2L 4448 0 0 0 -0.65 4455 4453 C2 SLES 1 -2.50854 39.1785 9.73255 CC32A 4449 4454 4455 4456 -0.11 4456 4454 H2A SLES 1 -3.60733 38.9677 9.60857 HCA2 4453 0 0 0 0.09 4457 4455 H2B SLES 1 -2.01771 39.1611 8.72011 HCA2 4453 0 0 0 0.09 4458 4456 C1 SLES 1 -1.84732 38.0636 10.6736 CC32A 4453 4457 4458 4459 -0.01 4459 4457 H1B SLES 1 -2.26917 38.1371 11.7024 HCA2 4456 0 0 0 0.09 4460 4458 H1A SLES 1 -0.744148 38.2166 10.7258 HCA2 4456 0 0 0 0.09 4461 4459 O1 SLES 1 -2.0033 36.6323 10.3496 OC30A 4456 4460 0 0 -0.34 4462 4460 C2 SLES 1 -2.39593 36.3156 8.99751 CC32A 4459 4461 4462 4463 -0.01 4463 4461 H2A SLES 1 -3.37796 36.8225 8.92339 HCA2 4460 0 0 0 0.09 4464 4462 H2B SLES 1 -1.65289 36.8829 8.39303 HCA2 4460 0 0 0 0.09 4465 4463 C1 SLES 1 -2.51904 34.8603 8.44595 CC32A 4460 4464 4465 4466 -0.01 4466 4464 H1B SLES 1 -3.556 34.4886 8.59633 HCA2 4463 0 0 0 0.09 4467 4465 H1A SLES 1 -2.29581 34.8604 7.36024 HCA2 4463 0 0 0 0.09 4468 4466 O1 SLES 1 -1.76403 33.7293 8.98786 OC30A 4463 4467 0 0 -0.34 4469 4467 C1 SLES 1 -1.45361 32.6643 8.0166 CTL2 4466 4468 4469 4470 -0.18 4470 4468 H11 SLES 1 -2.03847 32.8756 7.10312 HAL2 4467 0 0 0 0.09 4471 4469 H12 SLES 1 -0.382632 32.8662 7.80798 HAL2 4467 0 0 0 0.09 4472 4470 C2 SLES 1 -1.64278 31.1509 8.42889 CTL2 4467 4471 4472 4473 -0.18 4473 4471 H21 SLES 1 -2.05074 31.1031 9.46334 HAL2 4470 0 0 0 0.09 4474 4472 H22 SLES 1 -0.650215 30.6495 8.4288 HAL2 4470 0 0 0 0.09 4475 4473 C3 SLES 1 -2.63112 30.3625 7.43886 CTL2 4470 4474 4475 4476 -0.18 4476 4474 H31 SLES 1 -3.61727 30.2355 7.93852 HAL2 4473 0 0 0 0.09 4477 4475 H32 SLES 1 -2.78857 30.9706 6.52581 HAL2 4473 0 0 0 0.09 4478 4476 C4 SLES 1 -2.08023 28.9369 7.01878 CTL2 4473 4477 4478 4479 -0.18 4479 4477 H41 SLES 1 -2.60836 28.1591 7.60887 HAL2 4476 0 0 0 0.09 4480 4478 H42 SLES 1 -0.99805 28.877 7.26439 HAL2 4476 0 0 0 0.09 4481 4479 C5 SLES 1 -2.27622 28.6362 5.46446 CTL2 4476 4480 4481 4482 -0.18 4482 4480 H51 SLES 1 -3.0408 29.3319 5.05358 HAL2 4479 0 0 0 0.09 4483 4481 H52 SLES 1 -1.31633 28.8305 4.93361 HAL2 4479 0 0 0 0.09 4484 4482 C6 SLES 1 -2.72903 27.1548 5.17831 CTL2 4479 4483 4484 4485 -0.18 4485 4483 H61 SLES 1 -3.78867 27.0315 5.49618 HAL2 4482 0 0 0 0.09 4486 4484 H62 SLES 1 -2.67593 26.9656 4.08066 HAL2 4482 0 0 0 0.09 4487 4485 C7 SLES 1 -1.84892 26.0989 5.91917 CTL2 4482 4486 4487 4488 -0.18 4488 4486 H71 SLES 1 -2.19686 26.0113 6.97227 HAL2 4485 0 0 0 0.09 4489 4487 H72 SLES 1 -0.793419 26.4511 5.93427 HAL2 4485 0 0 0 0.09 4490 4488 C8 SLES 1 -1.90539 24.7017 5.25274 CTL2 4485 4489 4490 4491 -0.18 4491 4489 H81 SLES 1 -2.96706 24.4467 5.03084 HAL2 4488 0 0 0 0.09 4492 4490 H82 SLES 1 -1.35079 24.7363 4.28743 HAL2 4488 0 0 0 0.09 4493 4491 C9 SLES 1 -1.29526 23.5941 6.14784 CTL2 4488 4492 4493 4494 -0.18 4494 4492 H91 SLES 1 -1.83101 23.58 7.12411 HAL2 4491 0 0 0 0.09 4495 4493 H92 SLES 1 -0.226612 23.8354 6.34602 HAL2 4491 0 0 0 0.09 4496 4494 C10 SLES 1 -1.38458 22.1904 5.50348 CTL2 4491 4495 4496 4497 -0.18 4497 4495 H10 SLES 1 -2.45521 21.939 5.32651 HAL2 4494 0 0 0 0.09 4498 4496 H10 SLES 1 -0.868151 22.2096 4.51709 HAL2 4494 0 0 0 0.09 4499 4497 C11 SLES 1 -0.745062 21.0883 6.38903 CTL2 4494 4498 4499 4500 -0.18 4500 4498 H11 SLES 1 -1.26946 21.0685 7.37174 HAL2 4497 0 0 0 0.09 4501 4499 H11 SLES 1 0.32029 21.3533 6.57803 HAL2 4497 0 0 0 0.09 4502 4500 C12 SLES 1 -0.803874 19.671 5.76266 CTL3 4497 4501 4502 4503 -0.27 4503 4501 H12 SLES 1 -1.36375 18.9773 6.42802 HAL3 4500 0 0 0 0.09 4504 4502 H12 SLES 1 0.223383 19.27 5.61653 HAL3 4500 0 0 0 0.09 4505 4503 H12 SLES 1 -1.31473 19.7048 4.77574 HAL3 4500 0 0 0 0.09 4506 4504 NA SLES 1 12.5104 40.715 11.7414 NA 0 0 0 0 1 4507 4505 S SLES 1 9.98293 40.6754 9.10307 SL 4506 4507 4508 4509 1.33 4508 4506 OS1 SLES 1 10.686 39.3043 9.76119 OSL 4505 4510 0 0 -0.28 4509 4507 OS2 SLES 1 9.37143 41.3896 10.2047 O2L 4505 0 0 0 -0.65 4510 4508 OS3 SLES 1 11.0681 41.4587 8.55042 O2L 4505 0 0 0 -0.65 4511 4509 OS4 SLES 1 8.99085 40.4091 8.07384 O2L 4505 0 0 0 -0.65 4512 4510 C2 SLES 1 9.98623 38.0816 9.27559 CC32A 4506 4511 4512 4513 -0.11 4513 4511 H2A SLES 1 8.88412 38.1404 9.49711 HCA2 4510 0 0 0 0.09 4514 4512 H2B SLES 1 10.1305 38.006 8.16217 HCA2 4510 0 0 0 0.09 4515 4513 C1 SLES 1 10.613 36.7929 9.99115 CC32A 4510 4514 4515 4516 -0.01 4516 4514 H1B SLES 1 10.5508 36.906 11.098 HCA2 4513 0 0 0 0.09 4517 4515 H1A SLES 1 11.6838 36.6808 9.70114 HCA2 4513 0 0 0 0.09 4518 4516 O1 SLES 1 10.0291 35.4577 9.75796 OC30A 4513 4517 0 0 -0.34 4519 4517 C2 SLES 1 9.18407 35.3167 8.59667 CC32A 4516 4518 4519 4520 -0.01 4520 4518 H2A SLES 1 8.37647 36.0423 8.81615 HCA2 4517 0 0 0 0.09 4521 4519 H2B SLES 1 9.82385 35.7273 7.78336 HCA2 4517 0 0 0 0.09 4522 4520 C1 SLES 1 8.55627 33.9632 8.13724 CC32A 4517 4521 4522 4523 -0.01 4523 4521 H1B SLES 1 7.55532 33.8363 8.60418 HCA2 4520 0 0 0 0.09 4524 4522 H1A SLES 1 8.43567 33.9711 7.03542 HCA2 4520 0 0 0 0.09 4525 4523 O1 SLES 1 9.14573 32.659 8.44447 OC30A 4520 4524 0 0 -0.34 4526 4524 C1 SLES 1 8.88524 31.6062 7.44557 CTL2 4523 4525 4526 4527 -0.18 4527 4525 H11 SLES 1 8.12102 31.9984 6.75037 HAL2 4524 0 0 0 0.09 4528 4526 H12 SLES 1 9.85945 31.5635 6.91607 HAL2 4524 0 0 0 0.09 4529 4527 C2 SLES 1 8.47257 30.1584 7.92506 CTL2 4524 4528 4529 4530 -0.18 4530 4528 H21 SLES 1 8.39581 30.1502 9.03539 HAL2 4527 0 0 0 0.09 4531 4529 H22 SLES 1 9.26888 29.4398 7.6316 HAL2 4527 0 0 0 0.09 4532 4530 C3 SLES 1 7.07367 29.6787 7.29947 CTL2 4527 4531 4532 4533 -0.18 4533 4531 H31 SLES 1 6.28325 29.7581 8.07871 HAL2 4530 0 0 0 0.09 4534 4532 H32 SLES 1 6.79906 30.3562 6.46652 HAL2 4530 0 0 0 0.09 4535 4533 C4 SLES 1 7.11475 28.1893 6.75885 CTL2 4530 4534 4535 4536 -0.18 4536 4534 H41 SLES 1 6.61867 27.525 7.4969 HAL2 4533 0 0 0 0.09 4537 4535 H42 SLES 1 8.17334 27.8647 6.66343 HAL2 4533 0 0 0 0.09 4538 4536 C5 SLES 1 6.39417 28.0289 5.3447 CTL2 4533 4537 4538 4539 -0.18 4539 4537 H51 SLES 1 5.73116 28.9056 5.17352 HAL2 4536 0 0 0 0.09 4540 4538 H52 SLES 1 7.16704 28.0226 4.54247 HAL2 4536 0 0 0 0.09 4541 4539 C6 SLES 1 5.53564 26.7124 5.23911 CTL2 4536 4540 4541 4542 -0.18 4542 4540 H61 SLES 1 4.62357 26.8227 5.86764 HAL2 4539 0 0 0 0.09 4543 4541 H62 SLES 1 5.2091 26.577 4.18153 HAL2 4539 0 0 0 0.09 4544 4542 C7 SLES 1 6.31842 25.4409 5.69611 CTL2 4539 4543 4544 4545 -0.18 4545 4543 H71 SLES 1 6.29314 25.379 6.80664 HAL2 4542 0 0 0 0.09 4546 4544 H72 SLES 1 7.38162 25.5354 5.38143 HAL2 4542 0 0 0 0.09 4547 4545 C8 SLES 1 5.73147 24.1346 5.10585 CTL2 4542 4546 4547 4548 -0.18 4548 4546 H81 SLES 1 4.62361 24.1472 5.22365 HAL2 4545 0 0 0 0.09 4549 4547 H82 SLES 1 5.96127 24.0919 4.01682 HAL2 4545 0 0 0 0.09 4550 4548 C9 SLES 1 6.29906 22.8673 5.79313 CTL2 4545 4549 4550 4551 -0.18 4551 4549 H91 SLES 1 6.09487 22.9249 6.88644 HAL2 4548 0 0 0 0.09 4552 4550 H92 SLES 1 7.40295 22.841 5.65087 HAL2 4548 0 0 0 0.09 4553 4551 C10 SLES 1 5.68688 21.5612 5.23403 CTL2 4548 4552 4553 4554 -0.18 4554 4552 H10 SLES 1 4.58512 21.577 5.39728 HAL2 4551 0 0 0 0.09 4555 4553 H10 SLES 1 5.87141 21.5136 4.13688 HAL2 4551 0 0 0 0.09 4556 4554 C11 SLES 1 6.28003 20.293 5.90314 CTL2 4551 4555 4556 4557 -0.18 4557 4555 H11 SLES 1 6.0869 20.342 6.99923 HAL2 4554 0 0 0 0.09 4558 4556 H11 SLES 1 7.38379 20.2909 5.75269 HAL2 4554 0 0 0 0.09 4559 4557 C12 SLES 1 5.69817 18.9654 5.35212 CTL3 4554 4558 4559 4560 -0.27 4560 4558 H12 SLES 1 5.21556 18.386 6.1699 HAL3 4557 0 0 0 0.09 4561 4559 H12 SLES 1 6.5066 18.3443 4.90709 HAL3 4557 0 0 0 0.09 4562 4560 H12 SLES 1 4.9377 19.1721 4.56783 HAL3 4557 0 0 0 0.09 4563 4561 NA SLES 1 25.1878 34.7141 10.6108 NA 0 0 0 0 1 4564 4562 S SLES 1 22.1223 35.6284 8.84512 SL 4563 4564 4565 4566 1.33 4565 4563 OS1 SLES 1 22.601 34.0533 9.15749 OSL 4562 4567 0 0 -0.28 4566 4564 OS2 SLES 1 22.0328 36.2904 10.1301 O2L 4562 0 0 0 -0.65 4567 4565 OS3 SLES 1 23.1822 36.2229 8.05786 O2L 4562 0 0 0 -0.65 4568 4566 OS4 SLES 1 20.8566 35.7447 8.1388 O2L 4562 0 0 0 -0.65 4569 4567 C2 SLES 1 21.508 33.1028 8.80827 CC32A 4563 4568 4569 4570 -0.11 4570 4568 H2A SLES 1 20.559 33.3724 9.3503 HCA2 4567 0 0 0 0.09 4571 4569 H2B SLES 1 21.3238 33.1619 7.69974 HCA2 4567 0 0 0 0.09 4572 4570 C1 SLES 1 21.9524 31.6156 9.20427 CC32A 4567 4571 4572 4573 -0.01 4573 4571 H1B SLES 1 22.2206 31.5753 10.2851 HCA2 4570 0 0 0 0.09 4574 4572 H1A SLES 1 22.8403 31.3118 8.60223 HCA2 4570 0 0 0 0.09 4575 4573 O1 SLES 1 21.0059 30.4936 9.05233 OC30A 4570 4574 0 0 -0.34 4576 4574 C2 SLES 1 19.8733 30.7173 8.1864 CC32A 4573 4575 4576 4577 -0.01 4577 4575 H2A SLES 1 19.3679 31.5642 8.69064 HCA2 4574 0 0 0 0.09 4578 4576 H2B SLES 1 20.3543 31.0903 7.25423 HCA2 4574 0 0 0 0.09 4579 4577 C1 SLES 1 18.8206 29.6207 7.83067 CC32A 4574 4578 4579 4580 -0.01 4580 4578 H1B SLES 1 17.9839 29.6526 8.56203 HCA2 4577 0 0 0 0.09 4581 4579 H1A SLES 1 18.4149 29.8177 6.81813 HCA2 4577 0 0 0 0.09 4582 4580 O1 SLES 1 19.1168 28.1872 7.84784 OC30A 4577 4581 0 0 -0.34 4583 4581 C1 SLES 1 18.3374 27.3781 6.89291 CTL2 4580 4582 4583 4584 -0.18 4584 4582 H11 SLES 1 17.5415 28.029 6.48785 HAL2 4581 0 0 0 0.09 4585 4583 H12 SLES 1 19.0891 27.198 6.09684 HAL2 4581 0 0 0 0.09 4586 4584 C2 SLES 1 17.7124 26.0043 7.35997 CTL2 4581 4585 4586 4587 -0.18 4587 4585 H21 SLES 1 17.937 25.8498 8.43908 HAL2 4584 0 0 0 0.09 4588 4586 H22 SLES 1 18.1893 25.1777 6.78919 HAL2 4584 0 0 0 0.09 4589 4587 C3 SLES 1 16.1226 25.946 7.142 CTL2 4584 4588 4589 4590 -0.18 4590 4588 H31 SLES 1 15.6179 26.0838 8.12418 HAL2 4587 0 0 0 0.09 4591 4589 H32 SLES 1 15.8173 26.7829 6.48272 HAL2 4587 0 0 0 0.09 4592 4590 C4 SLES 1 15.6345 24.5814 6.50028 CTL2 4587 4591 4592 4593 -0.18 4593 4591 H41 SLES 1 15.2019 23.943 7.29865 HAL2 4590 0 0 0 0.09 4594 4592 H42 SLES 1 16.509 24.0468 6.07069 HAL2 4590 0 0 0 0.09 4595 4593 C5 SLES 1 14.5447 24.796 5.35525 CTL2 4590 4594 4595 4596 -0.18 4596 4594 H51 SLES 1 14.1074 25.8138 5.45641 HAL2 4593 0 0 0 0.09 4597 4595 H52 SLES 1 15.0456 24.736 4.36203 HAL2 4593 0 0 0 0.09 4598 4596 C6 SLES 1 13.3822 23.7344 5.40761 CTL2 4593 4597 4598 4599 -0.18 4599 4597 H61 SLES 1 12.7321 23.9512 6.28474 HAL2 4596 0 0 0 0.09 4600 4598 H62 SLES 1 12.7605 23.8326 4.48715 HAL2 4596 0 0 0 0.09 4601 4599 C7 SLES 1 13.9065 22.2672 5.51258 CTL2 4596 4600 4601 4602 -0.18 4602 4600 H71 SLES 1 14.1652 22.0494 6.57247 HAL2 4599 0 0 0 0.09 4603 4601 H72 SLES 1 14.8336 22.1677 4.90522 HAL2 4599 0 0 0 0.09 4604 4602 C8 SLES 1 12.8687 21.2263 5.02385 CTL2 4599 4603 4604 4605 -0.18 4605 4603 H81 SLES 1 11.8747 21.468 5.46529 HAL2 4602 0 0 0 0.09 4606 4604 H82 SLES 1 12.7789 21.2945 3.91574 HAL2 4602 0 0 0 0.09 4607 4605 C9 SLES 1 13.256 19.7773 5.41213 CTL2 4602 4606 4607 4608 -0.18 4608 4606 H91 SLES 1 13.3746 19.717 6.51787 HAL2 4605 0 0 0 0.09 4609 4607 H92 SLES 1 14.2363 19.5268 4.94754 HAL2 4605 0 0 0 0.09 4610 4608 C10 SLES 1 12.2032 18.7375 4.96055 CTL2 4605 4609 4610 4611 -0.18 4611 4609 H10 SLES 1 11.2279 18.9742 5.44369 HAL2 4608 0 0 0 0.09 4612 4610 H10 SLES 1 12.068 18.8124 3.85777 HAL2 4608 0 0 0 0.09 4613 4611 C11 SLES 1 12.6091 17.2845 5.3239 CTL2 4608 4612 4613 4614 -0.18 4614 4612 H11 SLES 1 12.7365 17.2132 6.42834 HAL2 4611 0 0 0 0.09 4615 4613 H11 SLES 1 13.5933 17.0588 4.85342 HAL2 4611 0 0 0 0.09 4616 4614 C12 SLES 1 11.5812 16.2162 4.86937 CTL3 4611 4615 4616 4617 -0.27 4617 4615 H12 SLES 1 11.2042 15.6449 5.7462 HAL3 4614 0 0 0 0.09 4618 4616 H12 SLES 1 12.0536 15.5032 4.15824 HAL3 4614 0 0 0 0.09 4619 4617 H12 SLES 1 10.7173 16.7005 4.36408 HAL3 4614 0 0 0 0.09 4620 4618 NA SLES 1 35.1531 25.0717 9.36751 NA 0 0 0 0 1 4621 4619 S SLES 1 32.1432 27.0069 8.62864 SL 4620 4621 4622 4623 1.33 4622 4620 OS1 SLES 1 32.2398 25.3365 8.54128 OSL 4619 4624 0 0 -0.28 4623 4621 OS2 SLES 1 32.503 27.3664 9.98468 O2L 4619 0 0 0 -0.65 4624 4622 OS3 SLES 1 33.1347 27.5166 7.70473 O2L 4619 0 0 0 -0.65 4625 4623 OS4 SLES 1 30.8357 27.5528 8.30185 O2L 4619 0 0 0 -0.65 4626 4624 C2 SLES 1 30.8854 24.7513 8.33288 CC32A 4620 4625 4626 4627 -0.11 4627 4625 H2A SLES 1 30.177 25.0931 9.13816 HCA2 4624 0 0 0 0.09 4628 4626 H2B SLES 1 30.4967 25.0968 7.33499 HCA2 4624 0 0 0 0.09 4629 4627 C1 SLES 1 30.9906 23.153 8.34855 CC32A 4624 4628 4629 4630 -0.01 4630 4628 H1B SLES 1 31.4575 22.8131 9.30155 HCA2 4627 0 0 0 0.09 4631 4629 H1A SLES 1 31.6199 22.8057 7.49622 HCA2 4627 0 0 0 0.09 4632 4630 O1 SLES 1 29.7696 22.3287 8.26172 OC30A 4627 4631 0 0 -0.34 4633 4631 C2 SLES 1 28.5827 22.9833 7.76649 CC32A 4630 4632 4633 4634 -0.01 4634 4632 H2A SLES 1 28.4374 23.7847 8.51724 HCA2 4631 0 0 0 0.09 4635 4633 H2B SLES 1 28.9402 23.4418 6.81712 HCA2 4631 0 0 0 0.09 4636 4634 C1 SLES 1 27.226 22.2521 7.51727 CC32A 4631 4635 4636 4637 -0.01 4637 4635 H1B SLES 1 26.5995 22.301 8.43438 HCA2 4634 0 0 0 0.09 4638 4636 H1A SLES 1 26.6855 22.7554 6.69072 HCA2 4634 0 0 0 0.09 4639 4637 O1 SLES 1 27.127 20.8223 7.21945 OC30A 4634 4638 0 0 -0.34 4640 4638 C1 SLES 1 25.9791 20.439 6.37713 CTL2 4637 4639 4640 4641 -0.18 4641 4639 H11 SLES 1 25.3187 21.3221 6.3047 HAL2 4638 0 0 0 0.09 4642 4640 H12 SLES 1 26.4727 20.2825 5.39574 HAL2 4638 0 0 0 0.09 4643 4641 C2 SLES 1 25.1227 19.1662 6.75486 CTL2 4638 4642 4643 4644 -0.18 4644 4642 H21 SLES 1 25.518 18.7278 7.6985 HAL2 4641 0 0 0 0.09 4645 4643 H22 SLES 1 25.2327 18.4052 5.95149 HAL2 4641 0 0 0 0.09 4646 4644 C3 SLES 1 23.5655 19.5075 6.94749 CTL2 4641 4645 4646 4647 -0.18 4647 4645 H31 SLES 1 23.332 19.5279 8.0353 HAL2 4644 0 0 0 0.09 4648 4646 H32 SLES 1 23.3635 20.517 6.53746 HAL2 4644 0 0 0 0.09 4649 4647 C4 SLES 1 22.6094 18.4625 6.23603 CTL2 4644 4648 4649 4650 -0.18 4650 4648 H41 SLES 1 22.1988 17.7715 7.00155 HAL2 4647 0 0 0 0.09 4651 4649 H42 SLES 1 23.2006 17.8602 5.51304 HAL2 4647 0 0 0 0.09 4652 4650 C5 SLES 1 21.4021 19.162 5.46262 CTL2 4647 4651 4652 4653 -0.18 4653 4651 H51 SLES 1 21.2824 20.2013 5.8405 HAL2 4650 0 0 0 0.09 4654 4652 H52 SLES 1 21.6505 19.2186 4.37816 HAL2 4650 0 0 0 0.09 4655 4653 C6 SLES 1 20.0365 18.3962 5.63594 CTL2 4650 4654 4655 4656 -0.18 4656 4654 H61 SLES 1 19.6651 18.5472 6.6744 HAL2 4653 0 0 0 0.09 4657 4655 H62 SLES 1 19.2856 18.8323 4.93634 HAL2 4653 0 0 0 0.09 4658 4656 C7 SLES 1 20.1615 16.8649 5.35732 CTL2 4653 4657 4658 4659 -0.18 4659 4657 H71 SLES 1 20.568 16.3633 6.26337 HAL2 4656 0 0 0 0.09 4660 4658 H72 SLES 1 20.8809 16.7042 4.52373 HAL2 4656 0 0 0 0.09 4661 4659 C8 SLES 1 18.8059 16.2131 4.98688 CTL2 4656 4660 4661 4662 -0.18 4662 4660 H81 SLES 1 18.0267 16.5609 5.70339 HAL2 4659 0 0 0 0.09 4663 4661 H82 SLES 1 18.5086 16.5466 3.96659 HAL2 4659 0 0 0 0.09 4664 4662 C9 SLES 1 18.8659 14.6653 5.01625 CTL2 4659 4663 4664 4665 -0.18 4665 4663 H91 SLES 1 19.1919 14.3337 6.02822 HAL2 4662 0 0 0 0.09 4666 4664 H92 SLES 1 19.625 14.3175 4.27981 HAL2 4662 0 0 0 0.09 4667 4665 C10 SLES 1 17.5043 14.0096 4.68525 CTL2 4662 4666 4667 4668 -0.18 4668 4666 H10 SLES 1 16.75 14.3391 5.43579 HAL2 4665 0 0 0 0.09 4669 4667 H10 SLES 1 17.167 14.3581 3.68283 HAL2 4665 0 0 0 0.09 4670 4668 C11 SLES 1 17.5755 12.4595 4.68541 CTL2 4665 4669 4670 4671 -0.18 4671 4669 H11 SLES 1 17.9066 12.1157 5.69203 HAL2 4668 0 0 0 0.09 4672 4670 H11 SLES 1 18.3436 12.1357 3.94646 HAL2 4668 0 0 0 0.09 4673 4671 C12 SLES 1 16.229 11.772 4.34047 CTL3 4668 4672 4673 4674 -0.27 4674 4672 H12 SLES 1 15.905 11.1148 5.17746 HAL3 4671 0 0 0 0.09 4675 4673 H12 SLES 1 16.3357 11.1514 3.4235 HAL3 4671 0 0 0 0.09 4676 4674 H12 SLES 1 15.4395 12.5343 4.16251 HAL3 4671 0 0 0 0.09 4677 4675 NA SLES 1 41.4658 12.9326 8.08813 NA 0 0 0 0 1 4678 4676 S SLES 1 39.013 15.6194 8.42792 SL 4677 4678 4679 4680 1.33 4679 4677 OS1 SLES 1 38.6483 14.0623 7.92824 OSL 4676 4681 0 0 -0.28 4680 4678 OS2 SLES 1 39.6253 15.4961 9.73459 O2L 4676 0 0 0 -0.65 4681 4679 OS3 SLES 1 39.9786 16.1314 7.47819 O2L 4676 0 0 0 -0.65 4682 4680 OS4 SLES 1 37.8681 16.513 8.49978 O2L 4676 0 0 0 -0.65 4683 4681 C2 SLES 1 37.1717 13.877 7.85248 CC32A 4677 4682 4683 4684 -0.11 4684 4682 H2A SLES 1 36.6887 14.1299 8.83733 HCA2 4681 0 0 0 0.09 4685 4683 H2B SLES 1 36.7656 14.5652 7.06018 HCA2 4681 0 0 0 0.09 4686 4684 C1 SLES 1 36.8475 12.3566 7.46639 CC32A 4681 4685 4686 4687 -0.01 4687 4685 H1B SLES 1 37.3242 11.6688 8.20219 HCA2 4684 0 0 0 0.09 4688 4686 H1A SLES 1 37.2475 12.1294 6.45074 HCA2 4684 0 0 0 0.09 4689 4687 O1 SLES 1 35.4501 11.8843 7.42357 OC30A 4684 4688 0 0 -0.34 4690 4688 C2 SLES 1 34.4279 12.8994 7.3377 CC32A 4687 4689 4690 4691 -0.01 4691 4689 H2A SLES 1 34.5986 13.4706 8.27119 HCA2 4688 0 0 0 0.09 4692 4690 H2B SLES 1 34.771 13.5125 6.47415 HCA2 4688 0 0 0 0.09 4693 4691 C1 SLES 1 32.9051 12.5897 7.18873 CC32A 4688 4692 4693 4694 -0.01 4694 4692 H1B SLES 1 32.4364 12.5196 8.19445 HCA2 4691 0 0 0 0.09 4695 4693 H1A SLES 1 32.4179 13.4113 6.62644 HCA2 4691 0 0 0 0.09 4696 4694 O1 SLES 1 32.3909 11.3598 6.58391 OC30A 4691 4695 0 0 -0.34 4697 4695 C1 SLES 1 31.0848 11.4938 5.91292 CTL2 4694 4696 4697 4698 -0.18 4698 4696 H11 SLES 1 30.6804 12.4864 6.18202 HAL2 4695 0 0 0 0.09 4699 4697 H12 SLES 1 31.3896 11.5111 4.84611 HAL2 4695 0 0 0 0.09 4700 4698 C2 SLES 1 29.9751 10.3913 6.13492 CTL2 4695 4699 4700 4701 -0.18 4701 4699 H21 SLES 1 30.3558 9.63018 6.85221 HAL2 4698 0 0 0 0.09 4702 4700 H22 SLES 1 29.7747 9.88039 5.16779 HAL2 4698 0 0 0 0.09 4703 4701 C3 SLES 1 28.6031 11.0047 6.7007 CTL2 4698 4702 4703 4704 -0.18 4704 4702 H31 SLES 1 28.524 10.7724 7.78609 HAL2 4701 0 0 0 0.09 4705 4703 H32 SLES 1 28.6274 12.1071 6.58998 HAL2 4701 0 0 0 0.09 4706 4704 C4 SLES 1 27.3203 10.4415 5.95963 CTL2 4701 4705 4706 4707 -0.18 4707 4705 H41 SLES 1 26.8411 9.67432 6.60306 HAL2 4704 0 0 0 0.09 4708 4706 H42 SLES 1 27.6322 9.94853 5.01371 HAL2 4704 0 0 0 0.09 4709 4707 C5 SLES 1 26.2552 11.5806 5.62357 CTL2 4704 4708 4709 4710 -0.18 4710 4708 H51 SLES 1 26.4664 12.4725 6.25393 HAL2 4707 0 0 0 0.09 4711 4709 H52 SLES 1 26.3696 11.8806 4.55688 HAL2 4707 0 0 0 0.09 4712 4710 C6 SLES 1 24.7683 11.1227 5.87029 CTL2 4707 4711 4712 4713 -0.18 4713 4711 H61 SLES 1 24.5861 11.0569 6.96644 HAL2 4710 0 0 0 0.09 4714 4712 H62 SLES 1 24.0783 11.8932 5.45351 HAL2 4710 0 0 0 0.09 4715 4713 C7 SLES 1 24.4435 9.74249 5.21623 CTL2 4710 4714 4715 4716 -0.18 4716 4714 H71 SLES 1 24.8133 8.93024 5.88051 HAL2 4713 0 0 0 0.09 4717 4715 H72 SLES 1 24.9817 9.66411 4.24541 HAL2 4713 0 0 0 0.09 4718 4716 C8 SLES 1 22.9274 9.54056 4.9706 CTL2 4713 4717 4718 4719 -0.18 4719 4717 H81 SLES 1 22.3672 9.83961 5.88606 HAL2 4716 0 0 0 0.09 4720 4718 H82 SLES 1 22.6025 10.2033 4.13644 HAL2 4716 0 0 0 0.09 4721 4719 C9 SLES 1 22.5753 8.07352 4.61831 CTL2 4716 4720 4721 4722 -0.18 4722 4720 H91 SLES 1 22.9271 7.40843 5.43944 HAL2 4719 0 0 0 0.09 4723 4721 H92 SLES 1 23.1138 7.78452 3.68776 HAL2 4719 0 0 0 0.09 4724 4722 C10 SLES 1 21.0574 7.85831 4.41047 CTL2 4719 4723 4724 4725 -0.18 4725 4723 H10 SLES 1 20.5204 8.12521 5.34916 HAL2 4722 0 0 0 0.09 4726 4724 H10 SLES 1 20.7006 8.53897 3.6046 HAL2 4722 0 0 0 0.09 4727 4725 C11 SLES 1 20.7117 6.39479 4.02767 CTL2 4722 4726 4727 4728 -0.18 4728 4726 H11 SLES 1 21.0644 5.71867 4.83982 HAL2 4725 0 0 0 0.09 4729 4727 H11 SLES 1 21.2649 6.12677 3.09866 HAL2 4725 0 0 0 0.09 4730 4728 C12 SLES 1 19.1981 6.15029 3.79602 CTL3 4725 4729 4730 4731 -0.27 4731 4729 H12 SLES 1 18.8197 5.3755 4.4988 HAL3 4728 0 0 0 0.09 4732 4730 H12 SLES 1 19.0176 5.80287 2.75484 HAL3 4728 0 0 0 0.09 4733 4731 H12 SLES 1 18.6247 7.08848 3.96089 HAL3 4728 0 0 0 0.09 4734 4732 NA SLES 1 43.6461 -0.382182 6.85249 NA 0 0 0 0 1 4735 4733 S SLES 1 41.9868 2.57399 8.21566 SL 4734 4735 4736 4737 1.33 4736 4734 OS1 SLES 1 41.2143 1.37704 7.33365 OSL 4733 4738 0 0 -0.28 4737 4735 OS2 SLES 1 42.5892 1.91608 9.3566 O2L 4733 0 0 0 -0.65 4738 4736 OS3 SLES 1 43.0201 3.10694 7.35259 O2L 4733 0 0 0 -0.65 4739 4737 OS4 SLES 1 41.1158 3.64781 8.66601 O2L 4733 0 0 0 -0.65 4740 4738 C2 SLES 1 39.7385 1.57971 7.37057 CC32A 4734 4739 4740 4741 -0.11 4741 4739 H2A SLES 1 39.3706 1.6269 8.43339 HCA2 4738 0 0 0 0.09 4742 4740 H2B SLES 1 39.4987 2.55259 6.85848 HCA2 4738 0 0 0 0.09 4743 4741 C1 SLES 1 39.0185 0.372333 6.60275 CC32A 4738 4742 4743 4744 -0.01 4744 4742 H1B SLES 1 39.3246 -0.599765 7.0534 HCA2 4741 0 0 0 0.09 4745 4743 H1A SLES 1 39.3118 0.377888 5.52708 HCA2 4741 0 0 0 0.09 4746 4744 O1 SLES 1 37.5457 0.281398 6.57999 OC30A 4741 4745 0 0 -0.34 4747 4745 C2 SLES 1 36.8195 1.48635 6.90161 CC32A 4744 4746 4747 4748 -0.01 4748 4746 H2A SLES 1 37.1635 1.68771 7.93507 HCA2 4745 0 0 0 0.09 4749 4747 H2B SLES 1 37.281 2.23401 6.21793 HCA2 4745 0 0 0 0.09 4750 4748 C1 SLES 1 35.2644 1.60758 6.83825 CC32A 4745 4749 4750 4751 -0.01 4751 4749 H1B SLES 1 34.8272 1.34713 7.82674 HCA2 4748 0 0 0 0.09 4752 4750 H1A SLES 1 34.9885 2.65256 6.59223 HCA2 4748 0 0 0 0.09 4753 4751 O1 SLES 1 34.429 0.779998 5.96644 OC30A 4748 4752 0 0 -0.34 4754 4752 C1 SLES 1 33.1808 1.41835 5.50972 CTL2 4751 4753 4754 4755 -0.18 4755 4753 H11 SLES 1 33.0569 2.34756 6.09486 HAL2 4752 0 0 0 0.09 4756 4754 H12 SLES 1 33.4441 1.68765 4.46595 HAL2 4752 0 0 0 0.09 4757 4755 C2 SLES 1 31.8311 0.597214 5.52672 CTL2 4752 4756 4757 4758 -0.18 4758 4756 H21 SLES 1 32.025 -0.414055 5.94928 HAL2 4755 0 0 0 0.09 4759 4757 H22 SLES 1 31.473 0.468775 4.4818 HAL2 4755 0 0 0 0.09 4760 4758 C3 SLES 1 30.6848 1.3157 6.3917 CTL2 4755 4759 4760 4761 -0.18 4761 4759 H31 SLES 1 30.5843 0.788907 7.36672 HAL2 4758 0 0 0 0.09 4762 4760 H32 SLES 1 30.9905 2.36043 6.59979 HAL2 4758 0 0 0 0.09 4763 4761 C4 SLES 1 29.2759 1.32693 5.66579 CTL2 4758 4762 4763 4764 -0.18 4764 4762 H41 SLES 1 28.6357 0.536762 6.11078 HAL2 4761 0 0 0 0.09 4765 4763 H42 SLES 1 29.4177 1.08707 4.58997 HAL2 4761 0 0 0 0.09 4766 4764 C5 SLES 1 28.5322 2.73277 5.78957 CTL2 4761 4765 4766 4767 -0.18 4767 4765 H51 SLES 1 28.9883 3.31278 6.62204 HAL2 4764 0 0 0 0.09 4768 4766 H52 SLES 1 28.6849 3.308 4.8479 HAL2 4764 0 0 0 0.09 4769 4767 C6 SLES 1 26.9864 2.58804 6.05635 CTL2 4764 4768 4769 4770 -0.18 4770 4768 H61 SLES 1 26.8299 2.23596 7.10067 HAL2 4767 0 0 0 0.09 4771 4769 H62 SLES 1 26.5064 3.58957 5.95642 HAL2 4767 0 0 0 0.09 4772 4770 C7 SLES 1 26.2932 1.59193 5.07377 CTL2 4767 4771 4772 4773 -0.18 4773 4771 H71 SLES 1 26.4615 0.552318 5.43244 HAL2 4770 0 0 0 0.09 4774 4772 H72 SLES 1 26.7601 1.68827 4.06828 HAL2 4770 0 0 0 0.09 4775 4773 C8 SLES 1 24.7694 1.84045 4.94859 CTL2 4770 4774 4775 4776 -0.18 4776 4774 H81 SLES 1 24.3366 1.96974 5.9671 HAL2 4773 0 0 0 0.09 4777 4775 H82 SLES 1 24.5999 2.78338 4.38045 HAL2 4773 0 0 0 0.09 4778 4776 C9 SLES 1 24.0373 0.678613 4.2313 CTL2 4773 4777 4778 4779 -0.18 4779 4777 H91 SLES 1 24.2316 -0.268886 4.78342 HAL2 4776 0 0 0 0.09 4780 4778 H92 SLES 1 24.4512 0.568344 3.20369 HAL2 4776 0 0 0 0.09 4781 4779 C10 SLES 1 22.5095 0.903777 4.13847 CTL2 4776 4780 4781 4782 -0.18 4782 4780 H10 SLES 1 22.0915 0.990815 5.16731 HAL2 4779 0 0 0 0.09 4783 4781 H10 SLES 1 22.3149 1.86218 3.6059 HAL2 4779 0 0 0 0.09 4784 4782 C11 SLES 1 21.7835 -0.247023 3.39245 CTL2 4779 4783 4784 4785 -0.18 4785 4783 H11 SLES 1 21.9755 -1.20217 3.93276 HAL2 4782 0 0 0 0.09 4786 4784 H11 SLES 1 22.2171 -0.341885 2.37073 HAL2 4782 0 0 0 0.09 4787 4785 C12 SLES 1 20.2514 -0.0425972 3.2681 CTL3 4782 4786 4787 4788 -0.27 4788 4786 H12 SLES 1 19.7086 -0.881873 3.7563 HAL3 4785 0 0 0 0.09 4789 4787 H12 SLES 1 19.9525 -0.00233573 2.19741 HAL3 4785 0 0 0 0.09 4790 4788 H12 SLES 1 19.9468 0.90836 3.757 HAL3 4785 0 0 0 0.09 4791 4789 NA SLES 1 41.6604 -13.5497 5.73583 NA 0 0 0 0 1 4792 4790 S SLES 1 40.7002 -10.8192 7.96575 SL 4791 4792 4793 4794 1.33 4793 4791 OS1 SLES 1 39.7138 -11.457 6.77086 OSL 4790 4795 0 0 -0.28 4794 4792 OS2 SLES 1 41.0464 -11.9204 8.84033 O2L 4790 0 0 0 -0.65 4795 4793 OS3 SLES 1 41.8865 -10.3338 7.29221 O2L 4790 0 0 0 -0.65 4796 4794 OS4 SLES 1 40.095 -9.74541 8.73721 O2L 4790 0 0 0 -0.65 4797 4795 C2 SLES 1 38.3349 -10.9052 6.89077 CC32A 4791 4796 4797 4798 -0.11 4798 4796 H2A SLES 1 37.9226 -11.0873 7.92228 HCA2 4795 0 0 0 0.09 4799 4797 H2B SLES 1 38.3767 -9.796 6.70574 HCA2 4795 0 0 0 0.09 4800 4798 C1 SLES 1 37.3893 -11.6002 5.80055 CC32A 4795 4799 4800 4801 -0.01 4801 4799 H1B SLES 1 37.4158 -12.7072 5.92635 HCA2 4798 0 0 0 0.09 4802 4800 H1A SLES 1 37.7434 -11.3467 4.77415 HCA2 4798 0 0 0 0.09 4803 4801 O1 SLES 1 35.9445 -11.3011 5.77352 OC30A 4798 4802 0 0 -0.34 4804 4802 C2 SLES 1 35.52 -10.1051 6.46052 CC32A 4801 4803 4804 4805 -0.01 4805 4803 H2A SLES 1 35.8359 -10.3184 7.5005 HCA2 4802 0 0 0 0.09 4806 4804 H2B SLES 1 36.1951 -9.33029 6.03234 HCA2 4802 0 0 0 0.09 4807 4805 C1 SLES 1 34.0506 -9.57771 6.46123 CC32A 4802 4806 4807 4808 -0.01 4808 4806 H1B SLES 1 33.5 -10.0025 7.32863 HCA2 4805 0 0 0 0.09 4809 4807 H1A SLES 1 34.0583 -8.47304 6.55206 HCA2 4805 0 0 0 0.09 4810 4808 O1 SLES 1 33.0942 -9.86306 5.39037 OC30A 4805 4809 0 0 -0.34 4811 4809 C1 SLES 1 32.0748 -8.82061 5.17078 CTL2 4808 4810 4811 4812 -0.18 4812 4810 H11 SLES 1 32.1474 -8.11089 6.0147 HAL2 4809 0 0 0 0.09 4813 4811 H12 SLES 1 32.4631 -8.32665 4.25614 HAL2 4809 0 0 0 0.09 4814 4812 C2 SLES 1 30.5657 -9.23588 4.95557 CTL2 4809 4813 4814 4815 -0.18 4815 4813 H21 SLES 1 30.4757 -10.3417 5.04434 HAL2 4812 0 0 0 0.09 4816 4814 H22 SLES 1 30.2549 -8.94851 3.92728 HAL2 4812 0 0 0 0.09 4817 4815 C3 SLES 1 29.5797 -8.54297 6.01676 CTL2 4812 4816 4817 4818 -0.18 4818 4816 H31 SLES 1 29.2895 -9.29443 6.78445 HAL2 4815 0 0 0 0.09 4819 4817 H32 SLES 1 30.1204 -7.72341 6.53076 HAL2 4815 0 0 0 0.09 4820 4818 C4 SLES 1 28.267 -7.95491 5.35098 CTL2 4815 4819 4820 4821 -0.18 4821 4819 H41 SLES 1 27.424 -8.65143 5.54171 HAL2 4818 0 0 0 0.09 4822 4820 H42 SLES 1 28.4139 -7.88824 4.25143 HAL2 4818 0 0 0 0.09 4823 4821 C5 SLES 1 27.888 -6.51034 5.91164 CTL2 4818 4822 4823 4824 -0.18 4824 4822 H51 SLES 1 28.419 -6.34389 6.87487 HAL2 4821 0 0 0 0.09 4825 4823 H52 SLES 1 28.2385 -5.73771 5.18976 HAL2 4821 0 0 0 0.09 4826 4824 C6 SLES 1 26.3407 -6.32903 6.14474 CTL2 4821 4825 4826 4827 -0.18 4827 4825 H61 SLES 1 26.0351 -6.92646 7.03286 HAL2 4824 0 0 0 0.09 4828 4826 H62 SLES 1 26.1309 -5.25609 6.36438 HAL2 4824 0 0 0 0.09 4829 4827 C7 SLES 1 25.4871 -6.77225 4.91458 CTL2 4824 4828 4829 4830 -0.18 4830 4828 H71 SLES 1 25.3695 -7.87839 4.93423 HAL2 4827 0 0 0 0.09 4831 4829 H72 SLES 1 26.027 -6.50072 3.98016 HAL2 4827 0 0 0 0.09 4832 4830 C8 SLES 1 24.0835 -6.11732 4.89504 CTL2 4827 4831 4832 4833 -0.18 4833 4831 H81 SLES 1 23.6316 -6.19412 5.91058 HAL2 4830 0 0 0 0.09 4834 4832 H82 SLES 1 24.1895 -5.03679 4.6464 HAL2 4830 0 0 0 0.09 4835 4833 C9 SLES 1 23.1343 -6.78265 3.86707 CTL2 4830 4834 4835 4836 -0.18 4836 4834 H91 SLES 1 23.0522 -7.86891 4.09868 HAL2 4833 0 0 0 0.09 4837 4835 H92 SLES 1 23.5732 -6.68083 2.84901 HAL2 4833 0 0 0 0.09 4838 4836 C10 SLES 1 21.719 -6.15791 3.87121 CTL2 4833 4837 4838 4839 -0.18 4839 4837 H10 SLES 1 21.2704 -6.28044 4.88338 HAL2 4836 0 0 0 0.09 4840 4838 H10 SLES 1 21.8022 -5.06743 3.66156 HAL2 4836 0 0 0 0.09 4841 4839 C11 SLES 1 20.7803 -6.80602 2.81919 CTL2 4836 4840 4841 4842 -0.18 4842 4840 H11 SLES 1 20.6949 -7.89518 3.03726 HAL2 4839 0 0 0 0.09 4843 4841 H11 SLES 1 21.2417 -6.69682 1.81116 HAL2 4839 0 0 0 0.09 4844 4842 C12 SLES 1 19.3577 -6.18977 2.78704 CTL3 4839 4843 4844 4845 -0.27 4845 4843 H12 SLES 1 18.5939 -6.96924 3.00233 HAL3 4842 0 0 0 0.09 4846 4844 H12 SLES 1 19.1475 -5.75472 1.7851 HAL3 4842 0 0 0 0.09 4847 4845 H12 SLES 1 19.2671 -5.38502 3.54882 HAL3 4842 0 0 0 0.09 4848 4846 NA SLES 1 35.8492 -25.3745 4.80126 NA 0 0 0 0 1 4849 4847 S SLES 1 35.2293 -23.1796 7.65585 SL 4848 4849 4850 4851 1.33 4850 4848 OS1 SLES 1 34.3178 -23.1845 6.24996 OSL 4847 4852 0 0 -0.28 4851 4849 OS2 SLES 1 35.1645 -24.5245 8.18923 O2L 4847 0 0 0 -0.65 4852 4850 OS3 SLES 1 36.5867 -22.874 7.25481 O2L 4847 0 0 0 -0.65 4853 4851 OS4 SLES 1 34.7837 -22.2266 8.6597 O2L 4847 0 0 0 -0.65 4854 4852 C2 SLES 1 33.1076 -22.3312 6.41646 CC32A 4848 4853 4854 4855 -0.11 4855 4853 H2A SLES 1 32.5089 -22.6615 7.31063 HCA2 4852 0 0 0 0.09 4856 4854 H2B SLES 1 33.4394 -21.2674 6.57291 HCA2 4852 0 0 0 0.09 4857 4855 C1 SLES 1 32.2054 -22.428 5.09645 CC32A 4852 4856 4857 4858 -0.01 4858 4856 H1B SLES 1 31.9488 -23.4925 4.88982 HCA2 4855 0 0 0 0.09 4859 4857 H1A SLES 1 32.7645 -22.0172 4.22361 HCA2 4855 0 0 0 0.09 4860 4858 O1 SLES 1 30.8949 -21.7515 5.04282 OC30A 4855 4859 0 0 -0.34 4861 4859 C2 SLES 1 30.6646 -20.7122 6.01716 CC32A 4858 4860 4861 4862 -0.01 4862 4860 H2A SLES 1 30.7555 -21.2714 6.96896 HCA2 4859 0 0 0 0.09 4863 4861 H2B SLES 1 31.5622 -20.0652 5.89416 HCA2 4859 0 0 0 0.09 4864 4862 C1 SLES 1 29.3804 -19.8253 6.05567 CC32A 4859 4863 4864 4865 -0.01 4865 4863 H1B SLES 1 28.6169 -20.299 6.7105 HCA2 4862 0 0 0 0.09 4866 4864 H1A SLES 1 29.6356 -18.8297 6.47053 HCA2 4862 0 0 0 0.09 4867 4865 O1 SLES 1 28.5619 -19.5452 4.8748 OC30A 4862 4866 0 0 -0.34 4868 4866 C1 SLES 1 27.8656 -18.2457 4.89288 CTL2 4865 4867 4868 4869 -0.18 4869 4867 H11 SLES 1 27.9723 -17.8329 5.91236 HAL2 4866 0 0 0 0.09 4870 4868 H12 SLES 1 28.497 -17.6514 4.2005 HAL2 4866 0 0 0 0.09 4871 4869 C2 SLES 1 26.3533 -18.1628 4.44301 CTL2 4866 4870 4871 4872 -0.18 4872 4870 H21 SLES 1 25.991 -19.1848 4.19205 HAL2 4869 0 0 0 0.09 4873 4871 H22 SLES 1 26.2831 -17.5395 3.52472 HAL2 4869 0 0 0 0.09 4874 4872 C3 SLES 1 25.4071 -17.5356 5.57876 CTL2 4869 4873 4874 4875 -0.18 4875 4873 H31 SLES 1 24.8314 -18.3557 6.06281 HAL2 4872 0 0 0 0.09 4876 4874 H32 SLES 1 26.0401 -17.0608 6.35471 HAL2 4872 0 0 0 0.09 4877 4875 C4 SLES 1 24.3911 -16.4583 5.01374 CTL2 4872 4876 4877 4878 -0.18 4878 4876 H41 SLES 1 23.3879 -16.9242 4.92046 HAL2 4875 0 0 0 0.09 4879 4877 H42 SLES 1 24.7185 -16.1446 3.99913 HAL2 4875 0 0 0 0.09 4880 4878 C5 SLES 1 24.283 -15.1678 5.94529 CTL2 4875 4879 4880 4881 -0.18 4881 4879 H51 SLES 1 24.682 -15.4137 6.95411 HAL2 4878 0 0 0 0.09 4882 4880 H52 SLES 1 24.9144 -14.3567 5.51598 HAL2 4878 0 0 0 0.09 4883 4881 C6 SLES 1 22.8059 -14.6416 6.09594 CTL2 4878 4882 4883 4884 -0.18 4884 4882 H61 SLES 1 22.2333 -15.347 6.73906 HAL2 4881 0 0 0 0.09 4885 4883 H62 SLES 1 22.8249 -13.6504 6.60639 HAL2 4881 0 0 0 0.09 4886 4884 C7 SLES 1 22.0733 -14.4932 4.72495 CTL2 4881 4885 4886 4887 -0.18 4887 4885 H71 SLES 1 21.6953 -15.4897 4.40591 HAL2 4884 0 0 0 0.09 4888 4886 H72 SLES 1 22.8006 -14.1407 3.96 HAL2 4884 0 0 0 0.09 4889 4887 C8 SLES 1 20.8855 -13.5008 4.78736 CTL2 4884 4888 4889 4890 -0.18 4890 4888 H81 SLES 1 20.2762 -13.7187 5.69439 HAL2 4887 0 0 0 0.09 4891 4889 H82 SLES 1 21.282 -12.4641 4.87998 HAL2 4887 0 0 0 0.09 4892 4890 C9 SLES 1 19.9772 -13.5856 3.53513 CTL2 4887 4891 4892 4893 -0.18 4893 4891 H91 SLES 1 19.605 -14.6296 3.42654 HAL2 4890 0 0 0 0.09 4894 4892 H92 SLES 1 20.5804 -13.3404 2.63207 HAL2 4890 0 0 0 0.09 4895 4893 C10 SLES 1 18.7674 -12.6243 3.61016 CTL2 4890 4894 4895 4896 -0.18 4896 4894 H10 SLES 1 18.1509 -12.8844 4.50069 HAL2 4893 0 0 0 0.09 4897 4895 H10 SLES 1 19.1383 -11.5825 3.74098 HAL2 4893 0 0 0 0.09 4898 4896 C11 SLES 1 17.8769 -12.6896 2.341 CTL2 4893 4897 4898 4899 -0.18 4899 4897 H11 SLES 1 17.5029 -13.7318 2.21839 HAL2 4896 0 0 0 0.09 4900 4898 H11 SLES 1 18.5018 -12.4463 1.45148 HAL2 4896 0 0 0 0.09 4901 4899 C12 SLES 1 16.6637 -11.7245 2.3784 CTL3 4896 4900 4901 4902 -0.27 4902 4900 H12 SLES 1 15.713 -12.2952 2.29026 HAL3 4899 0 0 0 0.09 4903 4901 H12 SLES 1 16.7209 -10.999 1.53713 HAL3 4899 0 0 0 0.09 4904 4902 H12 SLES 1 16.6493 -11.1576 3.33475 HAL3 4899 0 0 0 0.09 4905 4903 NA SLES 1 26.8338 -34.8608 4.09357 NA 0 0 0 0 1 4906 4904 S SLES 1 26.1017 -33.2094 7.26966 SL 4905 4906 4907 4908 1.33 4907 4905 OS1 SLES 1 25.564 -32.6712 5.77682 OSL 4904 4909 0 0 -0.28 4908 4906 OS2 SLES 1 25.6035 -34.5609 7.42017 O2L 4904 0 0 0 -0.65 4909 4907 OS3 SLES 1 27.5478 -33.2232 7.1959 O2L 4904 0 0 0 -0.65 4910 4908 OS4 SLES 1 25.6715 -32.3948 8.3947 O2L 4904 0 0 0 -0.65 4911 4909 C2 SLES 1 24.5815 -31.5644 5.95039 CC32A 4905 4910 4911 4912 -0.11 4912 4910 H2A SLES 1 23.7325 -31.8877 6.61508 HCA2 4909 0 0 0 0.09 4913 4911 H2B SLES 1 25.1071 -30.6921 6.42898 HCA2 4909 0 0 0 0.09 4914 4912 C1 SLES 1 24.0113 -31.1324 4.51721 CC32A 4909 4913 4914 4915 -0.01 4915 4913 H1B SLES 1 23.5682 -32.0164 4.00338 HCA2 4912 0 0 0 0.09 4916 4914 H1A SLES 1 24.8367 -30.7268 3.88682 HCA2 4912 0 0 0 0.09 4917 4915 O1 SLES 1 22.9436 -30.1184 4.41891 OC30A 4912 4916 0 0 -0.34 4918 4916 C2 SLES 1 22.7438 -29.2773 5.57449 CC32A 4915 4917 4918 4919 -0.01 4919 4917 H2A SLES 1 22.4795 -30.0211 6.35157 HCA2 4916 0 0 0 0.09 4920 4918 H2B SLES 1 23.7711 -28.8982 5.77549 HCA2 4916 0 0 0 0.09 4921 4919 C1 SLES 1 21.7288 -28.0921 5.62242 CC32A 4916 4920 4921 4922 -0.01 4922 4920 H1B SLES 1 20.746 -28.4548 5.99468 HCA2 4919 0 0 0 0.09 4923 4921 H1A SLES 1 22.1065 -27.3148 6.31642 HCA2 4919 0 0 0 0.09 4924 4922 O1 SLES 1 21.2935 -27.3587 4.43272 OC30A 4919 4923 0 0 -0.34 4925 4923 C1 SLES 1 20.9349 -25.9478 4.66668 CTL2 4922 4924 4925 4926 -0.18 4926 4924 H11 SLES 1 20.8968 -25.7983 5.76093 HAL2 4923 0 0 0 0.09 4927 4925 H12 SLES 1 21.8298 -25.4273 4.26744 HAL2 4923 0 0 0 0.09 4928 4926 C2 SLES 1 19.6295 -25.3528 4.00461 CTL2 4923 4927 4928 4929 -0.18 4929 4927 H21 SLES 1 19.1067 -26.1582 3.4417 HAL2 4926 0 0 0 0.09 4930 4928 H22 SLES 1 19.9205 -24.5617 3.27937 HAL2 4926 0 0 0 0.09 4931 4929 C3 SLES 1 18.6201 -24.7297 5.08682 CTL2 4926 4930 4931 4932 -0.18 4932 4930 H31 SLES 1 17.7732 -25.4353 5.23917 HAL2 4929 0 0 0 0.09 4933 4931 H32 SLES 1 19.1498 -24.6206 6.05417 HAL2 4929 0 0 0 0.09 4934 4932 C4 SLES 1 18.0421 -23.3185 4.65483 CTL2 4929 4933 4934 4935 -0.18 4935 4933 H41 SLES 1 17.0073 -23.4541 4.27679 HAL2 4932 0 0 0 0.09 4936 4934 H42 SLES 1 18.6588 -22.9099 3.82545 HAL2 4932 0 0 0 0.09 4937 4935 C5 SLES 1 18.0262 -22.2676 5.85493 CTL2 4932 4936 4937 4938 -0.18 4938 4936 H51 SLES 1 18.113 -22.816 6.8189 HAL2 4935 0 0 0 0.09 4939 4937 H52 SLES 1 18.911 -21.5973 5.76178 HAL2 4935 0 0 0 0.09 4940 4938 C6 SLES 1 16.719 -21.3892 5.88422 CTL2 4935 4939 4940 4941 -0.18 4941 4939 H61 SLES 1 15.865 -22.0205 6.21793 HAL2 4938 0 0 0 0.09 4942 4940 H62 SLES 1 16.8505 -20.569 6.62814 HAL2 4938 0 0 0 0.09 4943 4941 C7 SLES 1 16.378 -20.7647 4.49425 CTL2 4938 4942 4943 4944 -0.18 4944 4942 H71 SLES 1 15.8619 -21.5278 3.87046 HAL2 4941 0 0 0 0.09 4945 4943 H72 SLES 1 17.3237 -20.483 3.97993 HAL2 4941 0 0 0 0.09 4946 4944 C8 SLES 1 15.4732 -19.5126 4.60836 CTL2 4941 4945 4946 4947 -0.18 4947 4945 H81 SLES 1 14.6375 -19.7301 5.31243 HAL2 4944 0 0 0 0.09 4948 4946 H82 SLES 1 16.0683 -18.6708 5.03017 HAL2 4944 0 0 0 0.09 4949 4947 C9 SLES 1 14.8843 -19.0815 3.24171 CTL2 4944 4948 4949 4950 -0.18 4950 4948 H91 SLES 1 14.3141 -19.9336 2.80692 HAL2 4947 0 0 0 0.09 4951 4949 H92 SLES 1 15.7197 -18.8374 2.54742 HAL2 4947 0 0 0 0.09 4952 4950 C10 SLES 1 13.9486 -17.8548 3.35613 CTL2 4947 4951 4952 4953 -0.18 4953 4951 H10 SLES 1 13.1 -18.1066 4.0324 HAL2 4950 0 0 0 0.09 4954 4952 H10 SLES 1 14.5119 -17.0089 3.81128 HAL2 4950 0 0 0 0.09 4955 4953 C11 SLES 1 13.3851 -17.407 1.9814 CTL2 4950 4954 4955 4956 -0.18 4956 4954 H11 SLES 1 12.8169 -18.2541 1.53344 HAL2 4953 0 0 0 0.09 4957 4955 H11 SLES 1 14.2374 -17.1736 1.30317 HAL2 4953 0 0 0 0.09 4958 4956 C12 SLES 1 12.4557 -16.1682 2.06041 CTL3 4953 4957 4958 4959 -0.27 4959 4957 H12 SLES 1 11.4448 -16.4179 1.66917 HAL3 4956 0 0 0 0.09 4960 4958 H12 SLES 1 12.8731 -15.3327 1.45629 HAL3 4956 0 0 0 0.09 4961 4959 H12 SLES 1 12.3537 -15.8274 3.11376 HAL3 4956 0 0 0 0.09 4962 4960 NA SLES 1 15.4337 -41.2392 3.6348 NA 0 0 0 0 1 4963 4961 S SLES 1 14.2495 -39.8465 6.79843 SL 4962 4963 4964 4965 1.33 4964 4962 OS1 SLES 1 14.3012 -39.0016 5.35248 OSL 4961 4966 0 0 -0.28 4965 4963 OS2 SLES 1 13.4211 -41.0107 6.56171 O2L 4961 0 0 0 -0.65 4966 4964 OS3 SLES 1 15.6102 -40.2583 7.07321 O2L 4961 0 0 0 -0.65 4967 4965 OS4 SLES 1 13.7261 -39.0864 7.92218 O2L 4961 0 0 0 -0.65 4968 4966 C2 SLES 1 13.604 -37.6923 5.49449 CC32A 4962 4967 4968 4969 -0.11 4969 4967 H2A SLES 1 12.55 -37.8413 5.86055 HCA2 4966 0 0 0 0.09 4970 4968 H2B SLES 1 14.1652 -37.0683 6.24407 HCA2 4966 0 0 0 0.09 4971 4969 C1 SLES 1 13.5833 -36.9465 4.07703 CC32A 4966 4970 4971 4972 -0.01 4972 4970 H1B SLES 1 13.1058 -37.6006 3.3115 HCA2 4969 0 0 0 0.09 4973 4971 H1A SLES 1 14.6253 -36.7167 3.75376 HCA2 4969 0 0 0 0.09 4974 4972 O1 SLES 1 12.8617 -35.6685 3.92204 OC30A 4969 4973 0 0 -0.34 4975 4973 C2 SLES 1 12.5501 -34.952 5.13533 CC32A 4972 4974 4975 4976 -0.01 4976 4974 H2A SLES 1 11.9069 -35.6796 5.66795 HCA2 4973 0 0 0 0.09 4977 4975 H2B SLES 1 13.538 -34.9051 5.64647 HCA2 4973 0 0 0 0.09 4978 4976 C1 SLES 1 11.877 -33.5437 5.16507 CC32A 4973 4977 4978 4979 -0.01 4979 4977 H1B SLES 1 10.7721 -33.657 5.21317 HCA2 4976 0 0 0 0.09 4980 4978 H1A SLES 1 12.2172 -32.9945 6.06577 HCA2 4976 0 0 0 0.09 4981 4979 O1 SLES 1 11.9847 -32.5786 4.06972 OC30A 4976 4980 0 0 -0.34 4982 4980 C1 SLES 1 11.9226 -31.1631 4.47768 CTL2 4979 4981 4982 4983 -0.18 4983 4981 H11 SLES 1 11.6132 -31.1428 5.53837 HAL2 4980 0 0 0 0.09 4984 4982 H12 SLES 1 12.9913 -30.8715 4.41317 HAL2 4980 0 0 0 0.09 4985 4983 C2 SLES 1 11.0398 -30.1485 3.64853 CTL2 4980 4984 4985 4986 -0.18 4986 4984 H21 SLES 1 10.521 -30.6994 2.83229 HAL2 4983 0 0 0 0.09 4987 4985 H22 SLES 1 11.7044 -29.3896 3.18078 HAL2 4983 0 0 0 0.09 4988 4986 C3 SLES 1 9.94475 -29.4023 4.55544 CTL2 4983 4987 4988 4989 -0.18 4989 4987 H31 SLES 1 8.94633 -29.8535 4.36098 HAL2 4986 0 0 0 0.09 4990 4988 H32 SLES 1 10.189 -29.5651 5.6241 HAL2 4986 0 0 0 0.09 4991 4989 C4 SLES 1 9.86747 -27.8438 4.27715 CTL2 4986 4990 4991 4992 -0.18 4992 4990 H41 SLES 1 8.98088 -27.6353 3.64262 HAL2 4989 0 0 0 0.09 4993 4991 H42 SLES 1 10.7726 -27.5281 3.71494 HAL2 4989 0 0 0 0.09 4994 4992 C5 SLES 1 9.76417 -26.9848 5.61737 CTL2 4989 4993 4994 4995 -0.18 4995 4993 H51 SLES 1 9.44084 -27.6481 6.44979 HAL2 4992 0 0 0 0.09 4996 4994 H52 SLES 1 10.7726 -26.5849 5.87047 HAL2 4992 0 0 0 0.09 4997 4995 C6 SLES 1 8.75162 -25.7838 5.50009 CTL2 4992 4996 4997 4998 -0.18 4998 4996 H61 SLES 1 7.7131 -26.1844 5.4908 HAL2 4995 0 0 0 0.09 4999 4997 H62 SLES 1 8.85927 -25.1305 6.39735 HAL2 4995 0 0 0 0.09 5000 4998 C7 SLES 1 8.97758 -24.9247 4.2159 CTL2 4995 4999 5000 5001 -0.18 5001 4999 H71 SLES 1 8.49242 -25.4298 3.35149 HAL2 4998 0 0 0 0.09 5002 5000 H72 SLES 1 10.069 -24.8608 4.00815 HAL2 4998 0 0 0 0.09 5003 5001 C8 SLES 1 8.40411 -23.4918 4.34798 CTL2 4998 5002 5003 5004 -0.18 5004 5002 H81 SLES 1 7.37661 -23.5486 4.77508 HAL2 5001 0 0 0 0.09 5005 5003 H82 SLES 1 9.03866 -22.9095 5.05438 HAL2 5001 0 0 0 0.09 5006 5004 C9 SLES 1 8.34705 -22.7496 2.98919 CTL2 5001 5005 5006 5007 -0.18 5007 5005 H91 SLES 1 7.73681 -23.3472 2.27444 HAL2 5004 0 0 0 0.09 5008 5006 H92 SLES 1 9.37786 -22.6686 2.57644 HAL2 5004 0 0 0 0.09 5009 5007 C10 SLES 1 7.73866 -21.3323 3.10922 CTL2 5004 5008 5009 5010 -0.18 5010 5008 H10 SLES 1 6.69889 -21.4148 3.50018 HAL2 5007 0 0 0 0.09 5011 5009 H10 SLES 1 8.33523 -20.7412 3.84049 HAL2 5007 0 0 0 0.09 5012 5010 C11 SLES 1 7.71138 -20.5804 1.75204 CTL2 5007 5011 5012 5013 -0.18 5013 5011 H11 SLES 1 7.10793 -21.1722 1.02621 HAL2 5010 0 0 0 0.09 5014 5012 H11 SLES 1 8.75082 -20.5163 1.35658 HAL2 5010 0 0 0 0.09 5015 5013 C12 SLES 1 7.12185 -19.1491 1.84225 CTL3 5010 5014 5015 5016 -0.27 5016 5014 H12 SLES 1 6.23393 -19.0543 1.17896 HAL3 5013 0 0 0 0.09 5017 5015 H12 SLES 1 7.88029 -18.3982 1.52867 HAL3 5013 0 0 0 0.09 5018 5016 H12 SLES 1 6.81043 -18.9237 2.8855 HAL3 5013 0 0 0 0.09 5019 5017 NA SLES 1 2.61222 -43.9721 3.42214 NA 0 0 0 0 1 5020 5018 S SLES 1 0.906902 -42.3937 6.2419 SL 5019 5020 5021 5022 1.33 5021 5019 OS1 SLES 1 1.61195 -41.5568 4.97311 OSL 5018 5023 0 0 -0.28 5022 5020 OS2 SLES 1 -0.0749646 -43.2795 5.65125 O2L 5018 0 0 0 -0.65 5023 5021 OS3 SLES 1 1.96682 -43.1699 6.85082 O2L 5018 0 0 0 -0.65 5024 5022 OS4 SLES 1 0.274058 -41.5498 7.24275 O2L 5018 0 0 0 -0.65 5025 5023 C2 SLES 1 1.25992 -40.1109 5.04962 CC32A 5019 5024 5025 5026 -0.11 5026 5024 H2A SLES 1 0.142808 -39.9751 5.07778 HCA2 5023 0 0 0 0.09 5027 5025 H2B SLES 1 1.70259 -39.6849 5.9924 HCA2 5023 0 0 0 0.09 5028 5026 C1 SLES 1 1.86465 -39.3502 3.77627 CC32A 5023 5027 5028 5029 -0.01 5029 5027 H1B SLES 1 1.49614 -39.8276 2.8392 HCA2 5026 0 0 0 0.09 5030 5028 H1A SLES 1 2.97807 -39.4061 3.79414 HCA2 5026 0 0 0 0.09 5031 5029 O1 SLES 1 1.57352 -37.9197 3.5598 OC30A 5026 5030 0 0 -0.34 5032 5030 C2 SLES 1 1.09644 -37.1781 4.70214 CC32A 5029 5031 5032 5033 -0.01 5033 5031 H2A SLES 1 0.158738 -37.7156 4.94426 HCA2 5030 0 0 0 0.09 5034 5032 H2B SLES 1 1.85776 -37.4174 5.47832 HCA2 5030 0 0 0 0.09 5035 5033 C1 SLES 1 0.825996 -35.6405 4.68955 CC32A 5030 5034 5035 5036 -0.01 5036 5034 H1B SLES 1 -0.231195 -35.4479 4.40443 HCA2 5033 0 0 0 0.09 5037 5035 H1A SLES 1 1.00056 -35.23 5.70423 HCA2 5033 0 0 0 0.09 5038 5036 O1 SLES 1 1.5052 -34.7128 3.78353 OC30A 5033 5037 0 0 -0.34 5039 5037 C1 SLES 1 1.68106 -33.346 4.30769 CTL2 5036 5038 5039 5040 -0.18 5040 5038 H11 SLES 1 1.07674 -33.2702 5.22977 HAL2 5037 0 0 0 0.09 5041 5039 H12 SLES 1 2.75513 -33.3568 4.58614 HAL2 5037 0 0 0 0.09 5042 5040 C2 SLES 1 1.38222 -32.1064 3.37469 CTL2 5037 5041 5042 5043 -0.18 5043 5041 H21 SLES 1 1.01748 -32.4719 2.38869 HAL2 5040 0 0 0 0.09 5044 5042 H22 SLES 1 2.32762 -31.5464 3.20388 HAL2 5040 0 0 0 0.09 5045 5043 C3 SLES 1 0.287962 -31.1133 4.00295 CTL2 5040 5044 5045 5046 -0.18 5046 5044 H31 SLES 1 -0.682534 -31.2683 3.48102 HAL2 5043 0 0 0 0.09 5047 5045 H32 SLES 1 0.142836 -31.3655 5.07232 HAL2 5043 0 0 0 0.09 5048 5046 C4 SLES 1 0.696727 -29.5864 3.88542 CTL2 5043 5047 5048 5049 -0.18 5049 5047 H41 SLES 1 0.130809 -29.126 3.04884 HAL2 5046 0 0 0 0.09 5050 5048 H42 SLES 1 1.77963 -29.5159 3.64587 HAL2 5046 0 0 0 0.09 5051 5049 C5 SLES 1 0.40785 -28.7683 5.22408 CTL2 5046 5050 5051 5052 -0.18 5052 5050 H51 SLES 1 -0.312122 -29.3397 5.85064 HAL2 5049 0 0 0 0.09 5053 5051 H52 SLES 1 1.35655 -28.667 5.79911 HAL2 5049 0 0 0 0.09 5054 5052 C6 SLES 1 -0.181341 -27.3331 4.95121 CTL2 5049 5053 5054 5055 -0.18 5055 5053 H61 SLES 1 -1.23265 -27.4334 4.59939 HAL2 5052 0 0 0 0.09 5056 5054 H62 SLES 1 -0.192741 -26.7587 5.9069 HAL2 5052 0 0 0 0.09 5057 5055 C7 SLES 1 0.637509 -26.5346 3.8881 CTL2 5052 5056 5057 5058 -0.18 5058 5056 H71 SLES 1 0.32994 -26.8641 2.87093 HAL2 5055 0 0 0 0.09 5059 5057 H72 SLES 1 1.71877 -26.7667 4.01206 HAL2 5055 0 0 0 0.09 5060 5058 C8 SLES 1 0.433295 -25.0035 4.00427 CTL2 5055 5059 5060 5061 -0.18 5061 5059 H81 SLES 1 -0.654912 -24.7881 4.10817 HAL2 5058 0 0 0 0.09 5062 5060 H82 SLES 1 0.945929 -24.6367 4.92256 HAL2 5058 0 0 0 0.09 5063 5061 C9 SLES 1 0.985781 -24.2379 2.77586 CTL2 5058 5062 5063 5064 -0.18 5064 5062 H91 SLES 1 0.494138 -24.6259 1.85496 HAL2 5061 0 0 0 0.09 5065 5063 H92 SLES 1 2.07873 -24.4314 2.6892 HAL2 5061 0 0 0 0.09 5066 5064 C10 SLES 1 0.749286 -22.7119 2.86881 CTL2 5061 5065 5066 5067 -0.18 5067 5065 H10 SLES 1 -0.345568 -22.5167 2.932 HAL2 5064 0 0 0 0.09 5068 5066 H10 SLES 1 1.22169 -22.3268 3.80077 HAL2 5064 0 0 0 0.09 5069 5067 C11 SLES 1 1.33107 -21.9452 1.65158 CTL2 5064 5068 5069 5070 -0.18 5070 5068 H11 SLES 1 0.850527 -22.3291 0.722723 HAL2 5067 0 0 0 0.09 5071 5069 H11 SLES 1 2.42235 -22.1577 1.58201 HAL2 5067 0 0 0 0.09 5072 5070 C12 SLES 1 1.12458 -20.41 1.72312 CTL3 5067 5071 5072 5073 -0.27 5073 5071 H12 SLES 1 0.537517 -20.0577 0.846422 HAL3 5070 0 0 0 0.09 5074 5072 H12 SLES 1 2.10664 -19.8876 1.72513 HAL3 5070 0 0 0 0.09 5075 5073 H12 SLES 1 0.575626 -20.136 2.65033 HAL3 5070 0 0 0 0.09 5076 5074 NA SLES 1 -10.5559 -42.7657 3.42835 NA 0 0 0 0 1 5077 5075 S SLES 1 -12.5342 -40.6012 5.60822 SL 5076 5077 5078 5079 1.33 5078 5076 OS1 SLES 1 -11.2817 -40.0697 4.6304 OSL 5075 5080 0 0 -0.28 5079 5077 OS2 SLES 1 -13.4949 -41.2378 4.73123 O2L 5075 0 0 0 -0.65 5080 5078 OS3 SLES 1 -11.958 -41.5832 6.50275 O2L 5075 0 0 0 -0.65 5081 5079 OS4 SLES 1 -13.1847 -39.5526 6.37754 O2L 5075 0 0 0 -0.65 5082 5080 C2 SLES 1 -11.2347 -38.5804 4.61553 CC32A 5076 5081 5082 5083 -0.11 5083 5081 H2A SLES 1 -12.228 -38.1549 4.30023 HCA2 5080 0 0 0 0.09 5084 5082 H2B SLES 1 -10.9974 -38.2202 5.65483 HCA2 5080 0 0 0 0.09 5085 5083 C1 SLES 1 -10.0932 -38.0963 3.60138 CC32A 5080 5084 5085 5086 -0.01 5086 5084 H1B SLES 1 -10.2783 -38.5251 2.58961 HCA2 5083 0 0 0 0.09 5087 5085 H1A SLES 1 -9.09546 -38.4408 3.96048 HCA2 5083 0 0 0 0.09 5088 5086 O1 SLES 1 -9.90681 -36.6585 3.32634 OC30A 5083 5087 0 0 -0.34 5089 5087 C2 SLES 1 -10.485 -35.7392 4.27676 CC32A 5086 5088 5089 5090 -0.01 5090 5088 H2A SLES 1 -11.561 -35.9938 4.21057 HCA2 5087 0 0 0 0.09 5091 5089 H2B SLES 1 -10.0866 -36.1146 5.24616 HCA2 5087 0 0 0 0.09 5092 5090 C1 SLES 1 -10.3119 -34.1894 4.20357 CC32A 5087 5091 5092 5093 -0.01 5093 5091 H1B SLES 1 -11.141 -33.747 3.60952 HCA2 5090 0 0 0 0.09 5094 5092 H1A SLES 1 -10.3455 -33.7687 5.22848 HCA2 5090 0 0 0 0.09 5095 5093 O1 SLES 1 -9.16729 -33.5383 3.56419 OC30A 5090 5094 0 0 -0.34 5096 5094 C1 SLES 1 -8.79334 -32.232 4.13661 CTL2 5093 5095 5096 5097 -0.18 5097 5095 H11 SLES 1 -9.60229 -31.9358 4.82875 HAL2 5094 0 0 0 0.09 5098 5096 H12 SLES 1 -7.89755 -32.5044 4.73213 HAL2 5094 0 0 0 0.09 5099 5097 C2 SLES 1 -8.45064 -31.0263 3.17483 CTL2 5094 5098 5099 5100 -0.18 5100 5098 H21 SLES 1 -8.58729 -31.3517 2.11928 HAL2 5097 0 0 0 0.09 5101 5099 H22 SLES 1 -7.38295 -30.7471 3.31155 HAL2 5097 0 0 0 0.09 5102 5100 C3 SLES 1 -9.37083 -29.7394 3.44974 CTL2 5097 5101 5102 5103 -0.18 5103 5101 H31 SLES 1 -10.1437 -29.6708 2.65212 HAL2 5100 0 0 0 0.09 5104 5102 H32 SLES 1 -9.89291 -29.8688 4.41871 HAL2 5100 0 0 0 0.09 5105 5103 C4 SLES 1 -8.54788 -28.3852 3.48576 CTL2 5100 5104 5105 5106 -0.18 5106 5104 H41 SLES 1 -8.68953 -27.8526 2.52226 HAL2 5103 0 0 0 0.09 5107 5105 H42 SLES 1 -7.46648 -28.6181 3.5924 HAL2 5103 0 0 0 0.09 5108 5106 C5 SLES 1 -8.99219 -27.4279 4.682 CTL2 5103 5107 5108 5109 -0.18 5109 5107 H51 SLES 1 -9.9936 -27.7451 5.04809 HAL2 5106 0 0 0 0.09 5110 5108 H52 SLES 1 -8.2697 -27.5387 5.52264 HAL2 5106 0 0 0 0.09 5111 5109 C6 SLES 1 -9.06015 -25.9114 4.26157 CTL2 5106 5110 5111 5112 -0.18 5112 5110 H61 SLES 1 -9.94321 -25.757 3.60168 HAL2 5109 0 0 0 0.09 5113 5111 H62 SLES 1 -9.20177 -25.2883 5.17545 HAL2 5109 0 0 0 0.09 5114 5112 C7 SLES 1 -7.77572 -25.4323 3.5139 CTL2 5109 5113 5114 5115 -0.18 5115 5113 H71 SLES 1 -7.84097 -25.7403 2.44683 HAL2 5112 0 0 0 0.09 5116 5114 H72 SLES 1 -6.88694 -25.9303 3.96149 HAL2 5112 0 0 0 0.09 5117 5115 C8 SLES 1 -7.58238 -23.8969 3.58351 CTL2 5112 5116 5117 5118 -0.18 5118 5116 H81 SLES 1 -8.55042 -23.397 3.35031 HAL2 5115 0 0 0 0.09 5119 5117 H82 SLES 1 -7.28977 -23.6136 4.62022 HAL2 5115 0 0 0 0.09 5120 5118 C9 SLES 1 -6.50086 -23.3913 2.5961 CTL2 5115 5119 5120 5121 -0.18 5121 5119 H91 SLES 1 -6.77923 -23.7007 1.56307 HAL2 5118 0 0 0 0.09 5122 5120 H92 SLES 1 -5.52772 -23.8702 2.84748 HAL2 5118 0 0 0 0.09 5123 5121 C10 SLES 1 -6.33145 -21.854 2.6336 CTL2 5118 5122 5123 5124 -0.18 5124 5122 H10 SLES 1 -7.29885 -21.3747 2.35933 HAL2 5121 0 0 0 0.09 5125 5123 H10 SLES 1 -6.07479 -21.5416 3.67119 HAL2 5121 0 0 0 0.09 5126 5124 C11 SLES 1 -5.22618 -21.3542 1.66585 CTL2 5121 5125 5126 5127 -0.18 5127 5125 H11 SLES 1 -5.49091 -21.6631 0.628737 HAL2 5124 0 0 0 0.09 5128 5126 H11 SLES 1 -4.26485 -21.8497 1.93271 HAL2 5124 0 0 0 0.09 5129 5127 C12 SLES 1 -5.02043 -19.8175 1.69237 CTL3 5124 5128 5129 5130 -0.27 5130 5128 H12 SLES 1 -5.19869 -19.3862 0.682636 HAL3 5127 0 0 0 0.09 5131 5129 H12 SLES 1 -3.98128 -19.572 2.00423 HAL3 5127 0 0 0 0.09 5132 5130 H12 SLES 1 -5.72655 -19.3447 2.40928 HAL3 5127 0 0 0 0.09 5133 5131 NA SLES 1 -22.915 -37.6031 3.60449 NA 0 0 0 0 1 5134 5132 S SLES 1 -24.6888 -34.6891 4.91316 SL 5133 5134 5135 5136 1.33 5135 5133 OS1 SLES 1 -23.1251 -34.6544 4.31237 OSL 5132 5137 0 0 -0.28 5136 5134 OS2 SLES 1 -25.5255 -35.1955 3.84497 O2L 5132 0 0 0 -0.65 5137 5135 OS3 SLES 1 -24.676 -35.6279 6.01551 O2L 5132 0 0 0 -0.65 5138 5136 OS4 SLES 1 -25.1891 -33.4011 5.36602 O2L 5132 0 0 0 -0.65 5139 5137 C2 SLES 1 -22.6499 -33.2474 4.19087 CC32A 5133 5138 5139 5140 -0.11 5140 5138 H2A SLES 1 -23.3593 -32.6417 3.56075 HCA2 5137 0 0 0 0.09 5141 5139 H2B SLES 1 -22.6016 -32.7965 5.22075 HCA2 5137 0 0 0 0.09 5142 5140 C1 SLES 1 -21.1925 -33.2358 3.52635 CC32A 5137 5141 5142 5143 -0.01 5143 5141 H1B SLES 1 -21.2197 -33.7608 2.54377 HCA2 5140 0 0 0 0.09 5144 5142 H1A SLES 1 -20.4673 -33.7582 4.19285 HCA2 5140 0 0 0 0.09 5145 5143 O1 SLES 1 -20.5351 -31.9547 3.20305 OC30A 5140 5144 0 0 -0.34 5146 5144 C2 SLES 1 -21.0537 -30.7792 3.86021 CC32A 5143 5145 5146 5147 -0.01 5147 5145 H2A SLES 1 -22.1003 -30.7617 3.49787 HCA2 5144 0 0 0 0.09 5148 5146 H2B SLES 1 -21.0501 -31.0822 4.93145 HCA2 5144 0 0 0 0.09 5149 5147 C1 SLES 1 -20.4296 -29.3555 3.71585 CC32A 5144 5148 5149 5150 -0.01 5150 5148 H1B SLES 1 -20.9094 -28.8197 2.86806 HCA2 5147 0 0 0 0.09 5151 5149 H1A SLES 1 -20.6096 -28.781 4.64649 HCA2 5147 0 0 0 0.09 5152 5150 O1 SLES 1 -19.02 -29.1251 3.39514 OC30A 5147 5151 0 0 -0.34 5153 5151 C1 SLES 1 -18.451 -27.8808 3.94448 CTL2 5150 5152 5153 5154 -0.18 5154 5152 H11 SLES 1 -19.2931 -27.2832 4.33807 HAL2 5151 0 0 0 0.09 5155 5153 H12 SLES 1 -17.8612 -28.2708 4.79966 HAL2 5151 0 0 0 0.09 5156 5154 C2 SLES 1 -17.5355 -26.9709 3.03334 CTL2 5151 5155 5156 5157 -0.18 5157 5155 H21 SLES 1 -17.4768 -27.4165 2.01512 HAL2 5154 0 0 0 0.09 5158 5156 H22 SLES 1 -16.5081 -26.9515 3.4583 HAL2 5154 0 0 0 0.09 5159 5157 C3 SLES 1 -18.0854 -25.4668 2.91624 CTL2 5154 5158 5159 5160 -0.18 5160 5158 H31 SLES 1 -18.5674 -25.3347 1.92198 HAL2 5157 0 0 0 0.09 5161 5159 H32 SLES 1 -18.8586 -25.3032 3.69317 HAL2 5157 0 0 0 0.09 5162 5160 C4 SLES 1 -16.9479 -24.376 3.08503 CTL2 5157 5161 5162 5163 -0.18 5163 5161 H41 SLES 1 -16.6715 -23.9866 2.08298 HAL2 5160 0 0 0 0.09 5164 5162 H42 SLES 1 -16.0471 -24.8536 3.52717 HAL2 5160 0 0 0 0.09 5165 5163 C5 SLES 1 -17.397 -23.1585 4.01276 CTL2 5160 5164 5165 5166 -0.18 5166 5164 H51 SLES 1 -18.5068 -23.1501 4.0889 HAL2 5163 0 0 0 0.09 5167 5165 H52 SLES 1 -16.9849 -23.3113 5.03638 HAL2 5163 0 0 0 0.09 5168 5166 C6 SLES 1 -16.913 -21.7615 3.46907 CTL2 5163 5167 5168 5169 -0.18 5169 5167 H61 SLES 1 -17.508 -21.4977 2.56606 HAL2 5166 0 0 0 0.09 5170 5168 H62 SLES 1 -17.105 -20.9845 4.24549 HAL2 5166 0 0 0 0.09 5171 5169 C7 SLES 1 -15.3955 -21.7479 3.10097 CTL2 5166 5170 5171 5172 -0.18 5172 5170 H71 SLES 1 -15.2631 -22.1967 2.09161 HAL2 5169 0 0 0 0.09 5173 5171 H72 SLES 1 -14.8381 -22.3753 3.83173 HAL2 5169 0 0 0 0.09 5174 5172 C8 SLES 1 -14.7945 -20.3202 3.09963 CTL2 5169 5173 5174 5175 -0.18 5175 5173 H81 SLES 1 -15.4809 -19.6367 2.54907 HAL2 5172 0 0 0 0.09 5176 5174 H82 SLES 1 -14.7168 -19.9572 4.14976 HAL2 5172 0 0 0 0.09 5177 5175 C9 SLES 1 -13.3932 -20.2686 2.44094 CTL2 5172 5176 5177 5178 -0.18 5178 5176 H91 SLES 1 -13.4663 -20.6596 1.40067 HAL2 5175 0 0 0 0.09 5179 5177 H92 SLES 1 -12.7009 -20.9305 3.0086 HAL2 5175 0 0 0 0.09 5180 5178 C10 SLES 1 -12.8052 -18.8382 2.40178 CTL2 5175 5179 5180 5181 -0.18 5181 5179 H10 SLES 1 -13.4861 -18.1811 1.81403 HAL2 5178 0 0 0 0.09 5182 5180 H10 SLES 1 -12.7524 -18.4382 3.43969 HAL2 5178 0 0 0 0.09 5183 5181 C11 SLES 1 -11.3889 -18.795 1.76934 CTL2 5178 5182 5183 5184 -0.18 5184 5182 H11 SLES 1 -11.4482 -19.1896 0.729209 HAL2 5181 0 0 0 0.09 5185 5183 H11 SLES 1 -10.7163 -19.4673 2.34956 HAL2 5181 0 0 0 0.09 5186 5184 C12 SLES 1 -10.7647 -17.3761 1.73059 CTL3 5181 5185 5186 5187 -0.27 5187 5185 H12 SLES 1 -10.5389 -17.0816 0.681934 HAL3 5184 0 0 0 0.09 5188 5186 H12 SLES 1 -9.81936 -17.3535 2.31641 HAL3 5184 0 0 0 0.09 5189 5187 H12 SLES 1 -11.4679 -16.6319 2.16395 HAL3 5184 0 0 0 0.09 5190 5188 NA SLES 1 -33.2839 -28.7953 3.88484 NA 0 0 0 0 1 5191 5189 S SLES 1 -34.3368 -25.3088 4.17852 SL 5190 5191 5192 5193 1.33 5192 5190 OS1 SLES 1 -32.7462 -25.8059 4.0046 OSL 5189 5194 0 0 -0.28 5193 5191 OS2 SLES 1 -35.0543 -25.8274 3.03235 O2L 5189 0 0 0 -0.65 5194 5192 OS3 SLES 1 -34.8245 -25.9354 5.38934 O2L 5189 0 0 0 -0.65 5195 5193 OS4 SLES 1 -34.5121 -23.8677 4.26208 O2L 5189 0 0 0 -0.65 5196 5194 C2 SLES 1 -31.8603 -24.6303 3.77335 CC32A 5190 5195 5196 5197 -0.11 5197 5195 H2A SLES 1 -32.2165 -24.0327 2.88839 HCA2 5194 0 0 0 0.09 5198 5196 H2B SLES 1 -31.8877 -23.9769 4.68907 HCA2 5194 0 0 0 0.09 5199 5197 C1 SLES 1 -30.3631 -25.1377 3.51529 CC32A 5194 5198 5199 5200 -0.01 5200 5198 H1B SLES 1 -30.3475 -25.8549 2.66256 HCA2 5197 0 0 0 0.09 5201 5199 H1A SLES 1 -29.9747 -25.6525 4.42484 HCA2 5197 0 0 0 0.09 5202 5200 O1 SLES 1 -29.3041 -24.173 3.16042 OC30A 5197 5201 0 0 -0.34 5203 5201 C2 SLES 1 -29.5708 -22.7852 3.45263 CC32A 5200 5202 5203 5204 -0.01 5204 5202 H2A SLES 1 -30.4701 -22.5937 2.83501 HCA2 5201 0 0 0 0.09 5205 5203 H2B SLES 1 -29.872 -22.8194 4.52383 HCA2 5201 0 0 0 0.09 5206 5204 C1 SLES 1 -28.5363 -21.6364 3.23525 CC32A 5201 5205 5206 5207 -0.01 5207 5205 H1B SLES 1 -28.6554 -21.2126 2.21431 HCA2 5204 0 0 0 0.09 5208 5206 H1A SLES 1 -28.7202 -20.8332 3.97672 HCA2 5204 0 0 0 0.09 5209 5207 O1 SLES 1 -27.0877 -21.8455 3.25483 OC30A 5204 5208 0 0 -0.34 5210 5208 C1 SLES 1 -26.2969 -20.6886 3.71343 CTL2 5207 5209 5210 5211 -0.18 5211 5209 H11 SLES 1 -26.9845 -19.8254 3.76935 HAL2 5208 0 0 0 0.09 5212 5210 H12 SLES 1 -26.0334 -21.001 4.74507 HAL2 5208 0 0 0 0.09 5213 5211 C2 SLES 1 -24.9894 -20.275 2.92885 CTL2 5208 5212 5213 5214 -0.18 5214 5212 H21 SLES 1 -24.863 -20.9473 2.05092 HAL2 5211 0 0 0 0.09 5215 5213 H22 SLES 1 -24.1095 -20.4124 3.59484 HAL2 5211 0 0 0 0.09 5216 5214 C3 SLES 1 -25.0327 -18.7523 2.42086 CTL2 5211 5215 5216 5217 -0.18 5217 5215 H31 SLES 1 -25.2442 -18.7417 1.32842 HAL2 5214 0 0 0 0.09 5218 5216 H32 SLES 1 -25.8616 -18.224 2.9327 HAL2 5214 0 0 0 0.09 5219 5217 C4 SLES 1 -23.6805 -17.9704 2.69017 CTL2 5214 5218 5219 5220 -0.18 5220 5218 H41 SLES 1 -23.106 -17.9084 1.7424 HAL2 5217 0 0 0 0.09 5221 5219 H42 SLES 1 -23.0699 -18.5393 3.424 HAL2 5217 0 0 0 0.09 5222 5220 C5 SLES 1 -23.9241 -16.4968 3.25056 CTL2 5217 5221 5222 5223 -0.18 5223 5221 H51 SLES 1 -24.9729 -16.1952 3.03526 HAL2 5220 0 0 0 0.09 5224 5222 H52 SLES 1 -23.7898 -16.5025 4.3564 HAL2 5220 0 0 0 0.09 5225 5223 C6 SLES 1 -22.9484 -15.432 2.6217 CTL2 5220 5224 5225 5226 -0.18 5226 5224 H61 SLES 1 -23.2446 -15.2481 1.56458 HAL2 5223 0 0 0 0.09 5227 5225 H62 SLES 1 -23.0525 -14.4718 3.1791 HAL2 5223 0 0 0 0.09 5228 5226 C7 SLES 1 -21.4539 -15.8828 2.66075 CTL2 5223 5227 5228 5229 -0.18 5229 5227 H71 SLES 1 -21.2612 -16.5744 1.81083 HAL2 5226 0 0 0 0.09 5230 5228 H72 SLES 1 -21.2662 -16.4394 3.60589 HAL2 5226 0 0 0 0.09 5231 5229 C8 SLES 1 -20.4685 -14.6908 2.57274 CTL2 5226 5230 5231 5232 -0.18 5232 5230 H81 SLES 1 -20.796 -14.0071 1.75622 HAL2 5229 0 0 0 0.09 5233 5231 H82 SLES 1 -20.4984 -14.1225 3.5302 HAL2 5229 0 0 0 0.09 5234 5232 C9 SLES 1 -19.0129 -15.1453 2.29901 CTL2 5229 5233 5234 5235 -0.18 5235 5233 H91 SLES 1 -18.9888 -15.7387 1.35684 HAL2 5232 0 0 0 0.09 5236 5234 H92 SLES 1 -18.6768 -15.8061 3.12964 HAL2 5232 0 0 0 0.09 5237 5235 C10 SLES 1 -18.0312 -13.9564 2.1712 CTL2 5232 5236 5237 5238 -0.18 5238 5236 H10 SLES 1 -18.354 -13.3076 1.32521 HAL2 5235 0 0 0 0.09 5239 5237 H10 SLES 1 -18.0711 -13.35 3.10433 HAL2 5235 0 0 0 0.09 5240 5238 C11 SLES 1 -16.5694 -14.4163 1.92773 CTL2 5235 5239 5240 5241 -0.18 5241 5239 H11 SLES 1 -16.5336 -15.0165 0.989866 HAL2 5238 0 0 0 0.09 5242 5240 H11 SLES 1 -16.2574 -15.0791 2.76699 HAL2 5238 0 0 0 0.09 5243 5241 C12 SLES 1 -15.5574 -13.2471 1.81159 CTL3 5238 5242 5243 5244 -0.27 5244 5242 H12 SLES 1 -15.0491 -13.2727 0.822502 HAL3 5241 0 0 0 0.09 5245 5243 H12 SLES 1 -14.7855 -13.3234 2.60888 HAL3 5241 0 0 0 0.09 5246 5244 H12 SLES 1 -16.0798 -12.2712 1.91634 HAL3 5241 0 0 0 0.09 5247 5245 NA SLES 1 -40.5544 -17.0246 4.19346 NA 0 0 0 0 1 5248 5246 S SLES 1 -40.55 -13.4515 3.42997 SL 5247 5248 5249 5250 1.33 5249 5247 OS1 SLES 1 -39.1702 -14.3653 3.69167 OSL 5246 5251 0 0 -0.28 5250 5248 OS2 SLES 1 -41.2496 -14.0753 2.32593 O2L 5246 0 0 0 -0.65 5251 5249 OS3 SLES 1 -41.3405 -13.5605 4.6382 O2L 5246 0 0 0 -0.65 5252 5250 OS4 SLES 1 -40.2975 -12.0515 3.12864 O2L 5246 0 0 0 -0.65 5253 5251 C2 SLES 1 -37.9542 -13.5706 3.35993 CC32A 5247 5252 5253 5254 -0.11 5254 5252 H2A SLES 1 -38.0102 -13.1805 2.30549 HCA2 5251 0 0 0 0.09 5255 5253 H2B SLES 1 -37.8933 -12.6984 4.06833 HCA2 5251 0 0 0 0.09 5256 5254 C1 SLES 1 -36.656 -14.4941 3.52603 CC32A 5251 5255 5256 5257 -0.01 5257 5255 H1B SLES 1 -36.7544 -15.4042 2.89062 HCA2 5254 0 0 0 0.09 5258 5256 H1A SLES 1 -36.5477 -14.8088 4.59015 HCA2 5254 0 0 0 0.09 5259 5257 O1 SLES 1 -35.3242 -13.9737 3.16097 OC30A 5254 5258 0 0 -0.34 5260 5258 C2 SLES 1 -35.1986 -12.5401 3.05326 CC32A 5257 5259 5260 5261 -0.01 5261 5259 H2A SLES 1 -35.9213 -12.3106 2.24587 HCA2 5258 0 0 0 0.09 5262 5260 H2B SLES 1 -35.6198 -12.1891 4.02214 HCA2 5258 0 0 0 0.09 5263 5261 C1 SLES 1 -33.8514 -11.804 2.76988 CC32A 5258 5262 5263 5264 -0.01 5264 5262 H1B SLES 1 -33.7184 -11.6737 1.6738 HCA2 5261 0 0 0 0.09 5265 5263 H1A SLES 1 -33.8739 -10.8034 3.24624 HCA2 5261 0 0 0 0.09 5266 5264 O1 SLES 1 -32.5431 -12.3604 3.11888 OC30A 5261 5265 0 0 -0.34 5267 5265 C1 SLES 1 -31.5037 -11.3618 3.42943 CTL2 5264 5266 5267 5268 -0.18 5268 5266 H11 SLES 1 -31.9052 -10.3732 3.14189 HAL2 5265 0 0 0 0.09 5269 5267 H12 SLES 1 -31.468 -11.4228 4.5368 HAL2 5265 0 0 0 0.09 5270 5268 C2 SLES 1 -30.0498 -11.5364 2.83631 CTL2 5265 5269 5270 5271 -0.18 5271 5269 H21 SLES 1 -30.0269 -12.4405 2.18757 HAL2 5268 0 0 0 0.09 5272 5270 H22 SLES 1 -29.3351 -11.6971 3.67293 HAL2 5268 0 0 0 0.09 5273 5271 C3 SLES 1 -29.5785 -10.2636 1.97823 CTL2 5268 5272 5273 5274 -0.18 5274 5272 H31 SLES 1 -29.6477 -10.5119 0.895724 HAL2 5271 0 0 0 0.09 5275 5273 H32 SLES 1 -30.267 -9.41834 2.17766 HAL2 5271 0 0 0 0.09 5276 5274 C4 SLES 1 -28.0964 -9.80836 2.30751 CTL2 5271 5275 5276 5277 -0.18 5277 5275 H41 SLES 1 -27.4224 -10.168 1.50217 HAL2 5274 0 0 0 0.09 5278 5276 H42 SLES 1 -27.7731 -10.2799 3.26048 HAL2 5274 0 0 0 0.09 5279 5277 C5 SLES 1 -27.9549 -8.22485 2.43871 CTL2 5274 5278 5279 5280 -0.18 5280 5278 H51 SLES 1 -28.8339 -7.74072 1.95858 HAL2 5277 0 0 0 0.09 5281 5279 H52 SLES 1 -27.9591 -7.94852 3.51786 HAL2 5277 0 0 0 0.09 5282 5280 C6 SLES 1 -26.64 -7.6689 1.77283 CTL2 5277 5281 5282 5283 -0.18 5283 5281 H61 SLES 1 -26.742 -7.72549 0.665824 HAL2 5280 0 0 0 0.09 5284 5282 H62 SLES 1 -26.5186 -6.59608 2.05173 HAL2 5280 0 0 0 0.09 5285 5283 C7 SLES 1 -25.3625 -8.45464 2.20737 CTL2 5280 5284 5285 5286 -0.18 5286 5284 H71 SLES 1 -25.2859 -9.38537 1.6027 HAL2 5283 0 0 0 0.09 5287 5285 H72 SLES 1 -25.461 -8.74678 3.27662 HAL2 5283 0 0 0 0.09 5288 5286 C8 SLES 1 -24.0641 -7.62924 2.02718 CTL2 5283 5287 5288 5289 -0.18 5289 5287 H81 SLES 1 -24.0754 -7.14735 1.02266 HAL2 5286 0 0 0 0.09 5290 5288 H82 SLES 1 -24.0359 -6.8231 2.79527 HAL2 5286 0 0 0 0.09 5291 5289 C9 SLES 1 -22.7878 -8.49782 2.15759 CTL2 5286 5290 5291 5292 -0.18 5292 5290 H91 SLES 1 -22.8309 -9.32123 1.40894 HAL2 5289 0 0 0 0.09 5293 5291 H92 SLES 1 -22.7633 -8.95666 3.17168 HAL2 5289 0 0 0 0.09 5294 5292 C10 SLES 1 -21.4893 -7.68567 1.93956 CTL2 5289 5293 5294 5295 -0.18 5295 5293 H10 SLES 1 -21.503 -7.24569 0.916327 HAL2 5292 0 0 0 0.09 5296 5294 H10 SLES 1 -21.4562 -6.84878 2.67343 HAL2 5292 0 0 0 0.09 5297 5295 C11 SLES 1 -20.2122 -8.55222 2.10128 CTL2 5292 5296 5297 5298 -0.18 5298 5296 H11 SLES 1 -20.2467 -9.38371 1.36063 HAL2 5295 0 0 0 0.09 5299 5297 H11 SLES 1 -20.2121 -9.00431 3.11939 HAL2 5295 0 0 0 0.09 5300 5298 C12 SLES 1 -18.8922 -7.76263 1.90494 CTL3 5295 5299 5300 5301 -0.27 5301 5299 H12 SLES 1 -18.3021 -8.19811 1.06859 HAL3 5298 0 0 0 0.09 5302 5300 H12 SLES 1 -18.2769 -7.80189 2.83085 HAL3 5298 0 0 0 0.09 5303 5301 H12 SLES 1 -19.1093 -6.69813 1.66869 HAL3 5298 0 0 0 0.09 5304 5302 NA SLES 1 -43.8298 -3.3491 4.45167 NA 0 0 0 0 1 5305 5303 S SLES 1 -42.7744 -0.324387 2.69449 SL 5304 5305 5306 5307 1.33 5306 5304 OS1 SLES 1 -41.7243 -1.44851 3.35864 OSL 5303 5308 0 0 -0.28 5307 5305 OS2 SLES 1 -43.5994 -1.0458 1.74771 O2L 5303 0 0 0 -0.65 5308 5306 OS3 SLES 1 -43.5897 0.160653 3.78836 O2L 5303 0 0 0 -0.65 5309 5307 OS4 SLES 1 -42.1208 0.792623 2.03147 O2L 5303 0 0 0 -0.65 5310 5308 C2 SLES 1 -40.3232 -1.15214 2.94718 CC32A 5304 5309 5310 5311 -0.11 5311 5309 H2A SLES 1 -40.24 -1.10584 1.82553 HCA2 5308 0 0 0 0.09 5312 5310 H2B SLES 1 -40.0285 -0.154307 3.37585 HCA2 5308 0 0 0 0.09 5313 5311 C1 SLES 1 -39.3519 -2.29266 3.51426 CC32A 5308 5312 5313 5314 -0.01 5314 5312 H1B SLES 1 -39.695 -3.29257 3.16184 HCA2 5311 0 0 0 0.09 5315 5313 H1A SLES 1 -39.3634 -2.28125 4.62911 HCA2 5311 0 0 0 0.09 5316 5314 O1 SLES 1 -37.9185 -2.28803 3.16301 OC30A 5311 5315 0 0 -0.34 5317 5315 C2 SLES 1 -37.3811 -1.04656 2.66049 CC32A 5314 5316 5317 5318 -0.01 5318 5316 H2A SLES 1 -37.988 -0.891599 1.74699 HCA2 5315 0 0 0 0.09 5319 5317 H2B SLES 1 -37.7045 -0.314621 3.43445 HCA2 5315 0 0 0 0.09 5320 5318 C1 SLES 1 -35.8724 -0.824023 2.32635 CC32A 5315 5319 5320 5321 -0.01 5321 5319 H1B SLES 1 -35.6827 -1.07847 1.26084 HCA2 5318 0 0 0 0.09 5322 5320 H1A SLES 1 -35.6152 0.241937 2.4881 HCA2 5318 0 0 0 0.09 5323 5321 O1 SLES 1 -34.7894 -1.57582 2.96249 OC30A 5318 5322 0 0 -0.34 5324 5322 C1 SLES 1 -33.5128 -0.848083 3.08368 CTL2 5321 5323 5324 5325 -0.18 5325 5323 H11 SLES 1 -33.6044 0.0734621 2.48074 HAL2 5322 0 0 0 0.09 5326 5324 H12 SLES 1 -33.5213 -0.57234 4.15847 HAL2 5322 0 0 0 0.09 5327 5325 C2 SLES 1 -32.1586 -1.58079 2.72956 CTL2 5322 5326 5327 5328 -0.18 5328 5326 H21 SLES 1 -32.3836 -2.6119 2.37604 HAL2 5325 0 0 0 0.09 5329 5327 H22 SLES 1 -31.54 -1.66183 3.65012 HAL2 5325 0 0 0 0.09 5330 5328 C3 SLES 1 -31.3199 -0.810092 1.59771 CTL2 5325 5329 5330 5331 -0.18 5331 5329 H31 SLES 1 -31.4334 -1.35162 0.632242 HAL2 5328 0 0 0 0.09 5332 5330 H32 SLES 1 -31.7387 0.207726 1.46783 HAL2 5328 0 0 0 0.09 5333 5331 C4 SLES 1 -29.7773 -0.691469 1.94218 CTL2 5328 5332 5333 5334 -0.18 5334 5332 H41 SLES 1 -29.2182 -1.44881 1.354 HAL2 5331 0 0 0 0.09 5335 5333 H42 SLES 1 -29.6258 -0.915136 3.02017 HAL2 5331 0 0 0 0.09 5336 5334 C5 SLES 1 -29.1866 0.756117 1.62537 CTL2 5331 5335 5336 5337 -0.18 5337 5335 H51 SLES 1 -29.8768 1.28624 0.932479 HAL2 5334 0 0 0 0.09 5338 5336 H52 SLES 1 -29.1351 1.34184 2.57153 HAL2 5334 0 0 0 0.09 5339 5337 C6 SLES 1 -27.7524 0.705098 0.975878 CTL2 5334 5338 5339 5340 -0.18 5340 5338 H61 SLES 1 -27.8414 0.339887 -0.0718705 HAL2 5337 0 0 0 0.09 5341 5339 H62 SLES 1 -27.3321 1.73749 0.944766 HAL2 5337 0 0 0 0.09 5342 5340 C7 SLES 1 -26.7671 -0.221432 1.75623 CTL2 5337 5341 5342 5343 -0.18 5343 5341 H71 SLES 1 -26.9494 -1.2777 1.45821 HAL2 5340 0 0 0 0.09 5344 5342 H72 SLES 1 -26.9701 -0.132238 2.84672 HAL2 5340 0 0 0 0.09 5345 5343 C8 SLES 1 -25.2817 0.127501 1.48909 CTL2 5340 5344 5345 5346 -0.18 5346 5344 H81 SLES 1 -25.1303 0.260912 0.393328 HAL2 5343 0 0 0 0.09 5347 5345 H82 SLES 1 -25.0387 1.09222 1.99001 HAL2 5343 0 0 0 0.09 5348 5346 C9 SLES 1 -24.3146 -0.96797 2.00396 CTL2 5343 5347 5348 5349 -0.18 5349 5347 H91 SLES 1 -24.5772 -1.93847 1.52487 HAL2 5346 0 0 0 0.09 5350 5348 H92 SLES 1 -24.4468 -1.08098 3.10362 HAL2 5346 0 0 0 0.09 5351 5349 C10 SLES 1 -22.832 -0.642833 1.70467 CTL2 5346 5350 5351 5352 -0.18 5352 5350 H10 SLES 1 -22.6947 -0.552771 0.602938 HAL2 5349 0 0 0 0.09 5353 5351 H10 SLES 1 -22.5748 0.338112 2.1647 HAL2 5349 0 0 0 0.09 5354 5352 C11 SLES 1 -21.8644 -1.72703 2.24881 CTL2 5349 5353 5354 5355 -0.18 5355 5353 H11 SLES 1 -22.1212 -2.70473 1.78062 HAL2 5352 0 0 0 0.09 5356 5354 H11 SLES 1 -22.018 -1.82607 3.34768 HAL2 5352 0 0 0 0.09 5357 5355 C12 SLES 1 -20.3682 -1.42158 1.97903 CTL3 5352 5356 5357 5358 -0.27 5358 5356 H12 SLES 1 -19.9106 -2.23518 1.37405 HAL3 5355 0 0 0 0.09 5359 5357 H12 SLES 1 -19.8118 -1.33752 2.93854 HAL3 5355 0 0 0 0.09 5360 5358 H12 SLES 1 -20.2626 -0.464484 1.4232 HAL3 5355 0 0 0 0.09 5361 5359 NA SLES 1 -42.5804 10.8611 4.58581 NA 0 0 0 0 1 5362 5360 S SLES 1 -40.8608 12.7835 1.99773 SL 5361 5362 5363 5364 1.33 5363 5361 OS1 SLES 1 -40.1175 11.6586 2.99256 OSL 5360 5365 0 0 -0.28 5364 5362 OS2 SLES 1 -41.9216 12.0799 1.30703 O2L 5360 0 0 0 -0.65 5365 5363 OS3 SLES 1 -41.4258 13.7867 2.87576 O2L 5360 0 0 0 -0.65 5366 5364 OS4 SLES 1 -39.9741 13.4135 1.03266 O2L 5360 0 0 0 -0.65 5367 5365 C2 SLES 1 -38.7238 11.4029 2.53157 CC32A 5361 5366 5367 5368 -0.11 5368 5366 H2A SLES 1 -38.7148 11.0849 1.45179 HCA2 5365 0 0 0 0.09 5369 5367 H2B SLES 1 -38.1328 12.3548 2.63598 HCA2 5365 0 0 0 0.09 5370 5368 C1 SLES 1 -38.0678 10.2567 3.43791 CC32A 5365 5369 5370 5371 -0.01 5371 5369 H1B SLES 1 -38.7002 9.33969 3.40592 HCA2 5368 0 0 0 0.09 5372 5370 H1A SLES 1 -37.9927 10.6046 4.49453 HCA2 5368 0 0 0 0.09 5373 5371 O1 SLES 1 -36.7197 9.74436 3.12471 OC30A 5368 5372 0 0 -0.34 5374 5372 C2 SLES 1 -35.8978 10.5691 2.27207 CC32A 5371 5373 5374 5375 -0.01 5375 5373 H2A SLES 1 -36.5041 10.6102 1.34601 HCA2 5372 0 0 0 0.09 5376 5374 H2B SLES 1 -35.9469 11.5598 2.77731 HCA2 5372 0 0 0 0.09 5377 5375 C1 SLES 1 -34.4158 10.2385 1.90907 CC32A 5372 5376 5377 5378 -0.01 5378 5376 H1B SLES 1 -34.3839 9.6331 0.977142 HCA2 5375 0 0 0 0.09 5379 5377 H1A SLES 1 -33.8616 11.1831 1.73801 HCA2 5375 0 0 0 0.09 5380 5378 O1 SLES 1 -33.5398 9.43459 2.76289 OC30A 5375 5379 0 0 -0.34 5381 5379 C1 SLES 1 -32.106 9.76682 2.67346 CTL2 5378 5380 5381 5382 -0.18 5382 5380 H11 SLES 1 -31.9829 10.4508 1.81425 HAL2 5379 0 0 0 0.09 5383 5381 H12 SLES 1 -31.9577 10.3424 3.61046 HAL2 5379 0 0 0 0.09 5384 5382 C2 SLES 1 -31.0385 8.60551 2.58379 CTL2 5379 5383 5384 5385 -0.18 5385 5383 H21 SLES 1 -31.5665 7.62593 2.56221 HAL2 5382 0 0 0 0.09 5386 5384 H22 SLES 1 -30.4001 8.63038 3.49394 HAL2 5382 0 0 0 0.09 5387 5385 C3 SLES 1 -30.1055 8.72674 1.28256 CTL2 5382 5386 5387 5388 -0.18 5388 5386 H31 SLES 1 -30.4364 7.97712 0.529637 HAL2 5385 0 0 0 0.09 5389 5387 H32 SLES 1 -30.2339 9.73397 0.838473 HAL2 5385 0 0 0 0.09 5390 5388 C4 SLES 1 -28.5694 8.49544 1.59755 CTL2 5385 5389 5390 5391 -0.18 5391 5389 H41 SLES 1 -28.2878 7.46962 1.28052 HAL2 5388 0 0 0 0.09 5392 5390 H42 SLES 1 -28.4063 8.57173 2.69418 HAL2 5388 0 0 0 0.09 5393 5391 C5 SLES 1 -27.6255 9.54805 0.858778 CTL2 5388 5392 5393 5394 -0.18 5394 5392 H51 SLES 1 -28.191 10.0206 0.025488 HAL2 5391 0 0 0 0.09 5395 5393 H52 SLES 1 -27.3433 10.3499 1.57873 HAL2 5391 0 0 0 0.09 5396 5394 C6 SLES 1 -26.3142 8.89545 0.279102 CTL2 5391 5395 5396 5397 -0.18 5397 5395 H61 SLES 1 -26.5787 8.27452 -0.606092 HAL2 5394 0 0 0 0.09 5398 5396 H62 SLES 1 -25.6275 9.70485 -0.0624944 HAL2 5394 0 0 0 0.09 5399 5397 C7 SLES 1 -25.5695 8.0038 1.32248 CTL2 5394 5398 5399 5400 -0.18 5400 5398 H71 SLES 1 -26.0594 7.00571 1.36211 HAL2 5397 0 0 0 0.09 5401 5399 H72 SLES 1 -25.6581 8.47017 2.32895 HAL2 5397 0 0 0 0.09 5402 5400 C8 SLES 1 -24.0698 7.81504 0.983834 CTL2 5397 5401 5402 5403 -0.18 5403 5401 H81 SLES 1 -23.9692 7.56443 -0.0971315 HAL2 5400 0 0 0 0.09 5404 5402 H82 SLES 1 -23.5321 8.77329 1.16637 HAL2 5400 0 0 0 0.09 5405 5403 C9 SLES 1 -23.4092 6.69532 1.82656 CTL2 5400 5404 5405 5406 -0.18 5406 5404 H91 SLES 1 -23.9656 5.744 1.66627 HAL2 5403 0 0 0 0.09 5407 5405 H92 SLES 1 -23.4854 6.96016 2.90524 HAL2 5403 0 0 0 0.09 5408 5406 C10 SLES 1 -21.9211 6.47609 1.46464 CTL2 5403 5407 5408 5409 -0.18 5409 5407 H10 SLES 1 -21.8465 6.18828 0.391151 HAL2 5406 0 0 0 0.09 5410 5408 H10 SLES 1 -21.3683 7.43274 1.6035 HAL2 5406 0 0 0 0.09 5411 5409 C11 SLES 1 -21.2546 5.37522 2.33174 CTL2 5406 5410 5411 5412 -0.18 5412 5410 H11 SLES 1 -21.8068 4.41897 2.18412 HAL2 5409 0 0 0 0.09 5413 5411 H11 SLES 1 -21.3476 5.6587 3.40501 HAL2 5409 0 0 0 0.09 5414 5412 C12 SLES 1 -19.7569 5.14303 2.00417 CTL3 5409 5413 5414 5415 -0.27 5415 5413 H12 SLES 1 -19.5893 4.09012 1.68692 HAL3 5412 0 0 0 0.09 5416 5414 H12 SLES 1 -19.1292 5.3476 2.89945 HAL3 5412 0 0 0 0.09 5417 5415 H12 SLES 1 -19.4315 5.81686 1.18186 HAL3 5412 0 0 0 0.09 5418 5416 NA SLES 1 -36.7745 24.0656 4.53449 NA 0 0 0 0 1 5419 5417 S SLES 1 -35.052 24.6275 1.3615 SL 5418 5419 5420 5421 1.33 5420 5418 OS1 SLES 1 -34.484 23.6321 2.58374 OSL 5417 5422 0 0 -0.28 5421 5419 OS2 SLES 1 -36.3608 24.1237 0.999655 O2L 5417 0 0 0 -0.65 5422 5420 OS3 SLES 1 -35.1763 25.9479 1.94248 O2L 5417 0 0 0 -0.65 5423 5421 OS4 SLES 1 -34.1999 24.683 0.184554 O2L 5417 0 0 0 -0.65 5424 5422 C2 SLES 1 -33.3046 22.8544 2.10985 CC32A 5418 5423 5424 5425 -0.11 5425 5423 H2A SLES 1 -33.5581 22.2774 1.17711 HCA2 5422 0 0 0 0.09 5426 5424 H2B SLES 1 -32.4717 23.5746 1.87769 HCA2 5422 0 0 0 0.09 5427 5425 C1 SLES 1 -32.8396 21.8426 3.26132 CC32A 5422 5426 5427 5428 -0.01 5428 5426 H1B SLES 1 -33.6905 21.1859 3.55525 HCA2 5425 0 0 0 0.09 5429 5427 H1A SLES 1 -32.502 22.4154 4.15635 HCA2 5425 0 0 0 0.09 5430 5428 O1 SLES 1 -31.7479 20.8824 3.00823 OC30A 5425 5429 0 0 -0.34 5431 5429 C2 SLES 1 -30.8868 21.1654 1.8853 CC32A 5428 5430 5431 5432 -0.01 5432 5430 H2A SLES 1 -31.6033 21.1444 1.04089 HCA2 5429 0 0 0 0.09 5433 5431 H2B SLES 1 -30.5856 22.2204 2.07406 HCA2 5429 0 0 0 0.09 5434 5432 C1 SLES 1 -29.6275 20.318 1.51986 CC32A 5429 5433 5434 5435 -0.01 5435 5433 H1B SLES 1 -29.912 19.5095 0.811672 HCA2 5432 0 0 0 0.09 5436 5434 H1A SLES 1 -28.8767 20.9705 1.03085 HCA2 5432 0 0 0 0.09 5437 5435 O1 SLES 1 -28.8707 19.5394 2.50157 OC30A 5432 5436 0 0 -0.34 5438 5436 C1 SLES 1 -27.4351 19.3855 2.2024 CTL2 5435 5437 5438 5439 -0.18 5439 5437 H11 SLES 1 -27.2762 19.7498 1.17126 HAL2 5436 0 0 0 0.09 5440 5438 H12 SLES 1 -26.9867 20.1134 2.90987 HAL2 5436 0 0 0 0.09 5441 5439 C2 SLES 1 -26.7468 17.9743 2.37809 CTL2 5436 5440 5441 5442 -0.18 5442 5440 H21 SLES 1 -27.5136 17.2313 2.69225 HAL2 5439 0 0 0 0.09 5443 5441 H22 SLES 1 -25.9847 18.0419 3.18508 HAL2 5439 0 0 0 0.09 5444 5442 C3 SLES 1 -26.0418 17.4616 1.02955 CTL2 5439 5443 5444 5445 -0.18 5445 5443 H31 SLES 1 -26.6799 16.6779 0.563723 HAL2 5442 0 0 0 0.09 5446 5444 H32 SLES 1 -25.9671 18.307 0.3169 HAL2 5442 0 0 0 0.09 5447 5445 C4 SLES 1 -24.5935 16.8663 1.27498 CTL2 5442 5446 5447 5448 -0.18 5448 5446 H41 SLES 1 -24.6524 15.758 1.25701 HAL2 5445 0 0 0 0.09 5449 5447 H42 SLES 1 -24.2383 17.174 2.28208 HAL2 5445 0 0 0 0.09 5450 5448 C5 SLES 1 -23.5368 17.351 0.182536 CTL2 5445 5449 5450 5451 -0.18 5451 5449 H51 SLES 1 -24.0841 17.7371 -0.705645 HAL2 5448 0 0 0 0.09 5452 5450 H52 SLES 1 -22.9364 18.1886 0.605323 HAL2 5448 0 0 0 0.09 5453 5451 C6 SLES 1 -22.5613 16.2035 -0.27916 CTL2 5448 5452 5453 5454 -0.18 5454 5452 H61 SLES 1 -23.1236 15.483 -0.914515 HAL2 5451 0 0 0 0.09 5455 5453 H62 SLES 1 -21.7488 16.6474 -0.90066 HAL2 5451 0 0 0 0.09 5456 5454 C7 SLES 1 -21.9216 15.434 0.919532 CTL2 5451 5455 5456 5457 -0.18 5457 5455 H71 SLES 1 -22.6472 14.6785 1.29437 HAL2 5454 0 0 0 0.09 5458 5456 H72 SLES 1 -21.7159 16.1518 1.74466 HAL2 5454 0 0 0 0.09 5459 5457 C8 SLES 1 -20.6035 14.7176 0.533529 CTL2 5454 5458 5459 5460 -0.18 5460 5458 H81 SLES 1 -20.7523 14.1743 -0.4278 HAL2 5457 0 0 0 0.09 5461 5459 H82 SLES 1 -19.8068 15.4803 0.378049 HAL2 5457 0 0 0 0.09 5462 5460 C9 SLES 1 -20.1375 13.7121 1.6162 CTL2 5457 5461 5462 5463 -0.18 5463 5461 H91 SLES 1 -20.9466 12.9673 1.79228 HAL2 5460 0 0 0 0.09 5464 5462 H92 SLES 1 -19.9622 14.2604 2.56916 HAL2 5460 0 0 0 0.09 5465 5463 C10 SLES 1 -18.8426 12.9651 1.2181 CTL2 5460 5464 5465 5466 -0.18 5466 5464 H10 SLES 1 -19.0247 12.3976 0.277058 HAL2 5463 0 0 0 0.09 5467 5465 H10 SLES 1 -18.0391 13.7103 1.02033 HAL2 5463 0 0 0 0.09 5468 5466 C11 SLES 1 -18.3619 11.9815 2.31784 CTL2 5463 5467 5468 5469 -0.18 5469 5467 H11 SLES 1 -19.1662 11.2342 2.5071 HAL2 5466 0 0 0 0.09 5470 5468 H11 SLES 1 -18.1984 12.5505 3.26145 HAL2 5466 0 0 0 0.09 5471 5469 C12 SLES 1 -17.0556 11.2287 1.95549 CTL3 5466 5470 5471 5472 -0.27 5472 5470 H12 SLES 1 -17.2301 10.1302 1.95457 HAL3 5469 0 0 0 0.09 5473 5471 H12 SLES 1 -16.2581 11.4603 2.69558 HAL3 5469 0 0 0 0.09 5474 5472 H12 SLES 1 -16.7012 11.532 0.946244 HAL3 5469 0 0 0 0.09 5475 5473 NA SLES 1 -26.9419 34.7579 4.25459 NA 0 0 0 0 1 5476 5474 S SLES 1 -25.9363 34.1127 0.801637 SL 5475 5476 5477 5478 1.33 5477 5475 OS1 SLES 1 -25.3783 33.2523 2.12667 OSL 5474 5479 0 0 -0.28 5478 5476 OS2 SLES 1 -27.3787 33.9825 0.808221 O2L 5474 0 0 0 -0.65 5479 5477 OS3 SLES 1 -25.5657 35.4932 1.0326 O2L 5474 0 0 0 -0.65 5480 5478 OS4 SLES 1 -25.4044 33.6646 -0.475366 O2L 5474 0 0 0 -0.65 5481 5479 C2 SLES 1 -24.5937 32.0671 1.67936 CC32A 5475 5480 5481 5482 -0.11 5482 5480 H2A SLES 1 -25.2045 31.4258 0.984557 HCA2 5479 0 0 0 0.09 5483 5481 H2B SLES 1 -23.68 32.4296 1.13174 HCA2 5479 0 0 0 0.09 5484 5482 C1 SLES 1 -24.1531 31.2097 2.95866 CC32A 5479 5483 5484 5485 -0.01 5485 5483 H1B SLES 1 -25.0523 30.9241 3.5516 HCA2 5482 0 0 0 0.09 5486 5484 H1A SLES 1 -23.4738 31.8135 3.60454 HCA2 5482 0 0 0 0.09 5487 5485 O1 SLES 1 -23.4464 29.9261 2.78344 OC30A 5482 5486 0 0 -0.34 5488 5486 C2 SLES 1 -22.8331 29.6972 1.4973 CC32A 5485 5487 5488 5489 -0.01 5489 5487 H2A SLES 1 -23.7089 29.7347 0.820157 HCA2 5486 0 0 0 0.09 5490 5488 H2B SLES 1 -22.228 30.6204 1.35257 HCA2 5486 0 0 0 0.09 5491 5489 C1 SLES 1 -21.9666 28.4438 1.15778 CC32A 5486 5490 5491 5492 -0.01 5492 5490 H1B SLES 1 -22.6142 27.6416 0.741766 HCA2 5489 0 0 0 0.09 5493 5491 H1A SLES 1 -21.2084 28.7182 0.397239 HCA2 5489 0 0 0 0.09 5494 5492 O1 SLES 1 -21.2318 27.6781 2.16609 OC30A 5489 5493 0 0 -0.34 5495 5493 C1 SLES 1 -20.0015 27.0269 1.68008 CTL2 5492 5494 5495 5496 -0.18 5496 5494 H11 SLES 1 -20.0014 27.1113 0.578247 HAL2 5493 0 0 0 0.09 5497 5495 H12 SLES 1 -19.2222 27.7028 2.08876 HAL2 5493 0 0 0 0.09 5498 5496 C2 SLES 1 -19.6893 25.5354 2.09743 CTL2 5493 5497 5498 5499 -0.18 5499 5497 H21 SLES 1 -20.5279 25.1473 2.71784 HAL2 5496 0 0 0 0.09 5500 5498 H22 SLES 1 -18.7675 25.5195 2.71924 HAL2 5496 0 0 0 0.09 5501 5499 C3 SLES 1 -19.4858 24.5715 0.829355 CTL2 5496 5500 5501 5502 -0.18 5502 5500 H31 SLES 1 -20.3999 23.9509 0.696869 HAL2 5499 0 0 0 0.09 5503 5501 H32 SLES 1 -19.3617 25.1924 -0.0802176 HAL2 5499 0 0 0 0.09 5504 5502 C4 SLES 1 -18.2309 23.6141 0.973616 CTL2 5499 5503 5504 5505 -0.18 5505 5503 H41 SLES 1 -18.5831 22.5994 1.25387 HAL2 5502 0 0 0 0.09 5506 5504 H42 SLES 1 -17.5786 23.9881 1.79189 HAL2 5502 0 0 0 0.09 5507 5505 C5 SLES 1 -17.3744 23.5174 -0.368694 CTL2 5502 5506 5507 5508 -0.18 5508 5506 H51 SLES 1 -17.9947 23.8714 -1.22153 HAL2 5505 0 0 0 0.09 5509 5507 H52 SLES 1 -16.4914 24.1914 -0.284812 HAL2 5505 0 0 0 0.09 5510 5508 C6 SLES 1 -16.8752 22.0549 -0.674233 CTL2 5505 5509 5510 5511 -0.18 5511 5509 H61 SLES 1 -17.7421 21.4357 -0.997053 HAL2 5508 0 0 0 0.09 5512 5510 H62 SLES 1 -16.1459 22.0899 -1.51703 HAL2 5508 0 0 0 0.09 5513 5511 C7 SLES 1 -16.196 21.3773 0.557759 CTL2 5508 5512 5513 5514 -0.18 5514 5512 H71 SLES 1 -16.9849 20.9767 1.23218 HAL2 5511 0 0 0 0.09 5515 5513 H72 SLES 1 -15.6183 22.1431 1.12176 HAL2 5511 0 0 0 0.09 5516 5514 C8 SLES 1 -15.2448 20.223 0.154848 CTL2 5511 5515 5516 5517 -0.18 5517 5515 H81 SLES 1 -15.7556 19.5745 -0.593502 HAL2 5514 0 0 0 0.09 5518 5516 H82 SLES 1 -14.3354 20.6514 -0.324784 HAL2 5514 0 0 0 0.09 5519 5517 C9 SLES 1 -14.8179 19.3575 1.36692 CTL2 5514 5518 5519 5520 -0.18 5520 5518 H91 SLES 1 -15.7293 18.9536 1.86359 HAL2 5517 0 0 0 0.09 5521 5519 H92 SLES 1 -14.283 20.0007 2.10154 HAL2 5517 0 0 0 0.09 5522 5520 C10 SLES 1 -13.8992 18.1797 0.96429 CTL2 5517 5521 5522 5523 -0.18 5523 5521 H10 SLES 1 -14.4428 17.5232 0.247136 HAL2 5520 0 0 0 0.09 5524 5522 H10 SLES 1 -12.9982 18.5814 0.44784 HAL2 5520 0 0 0 0.09 5525 5523 C11 SLES 1 -13.4489 17.3334 2.18447 CTL2 5520 5524 5525 5526 -0.18 5526 5524 H11 SLES 1 -14.3532 16.9283 2.69351 HAL2 5523 0 0 0 0.09 5527 5525 H11 SLES 1 -12.9217 17.9977 2.9068 HAL2 5523 0 0 0 0.09 5528 5526 C12 SLES 1 -12.5126 16.1537 1.81543 CTL3 5523 5527 5528 5529 -0.27 5529 5527 H12 SLES 1 -12.9662 15.1876 2.12881 HAL3 5526 0 0 0 0.09 5530 5528 H12 SLES 1 -11.5302 16.2658 2.32513 HAL3 5526 0 0 0 0.09 5531 5529 H12 SLES 1 -12.3407 16.1247 0.717362 HAL3 5526 0 0 0 0.09 5532 5530 NA SLES 1 -14.1396 41.6926 3.7255 NA 0 0 0 0 1 5533 5531 S SLES 1 -14.3816 40.3742 0.326426 SL 5532 5533 5534 5535 1.33 5534 5532 OS1 SLES 1 -13.7208 39.54 1.62059 OSL 5531 5536 0 0 -0.28 5535 5533 OS2 SLES 1 -15.7403 40.7038 0.703973 O2L 5531 0 0 0 -0.65 5536 5534 OS3 SLES 1 -13.6014 41.5861 0.18785 O2L 5531 0 0 0 -0.65 5537 5535 OS4 SLES 1 -14.3806 39.6391 -0.928166 O2L 5531 0 0 0 -0.65 5538 5536 C2 SLES 1 -13.4487 38.1257 1.23829 CC32A 5532 5537 5538 5539 -0.11 5539 5537 H2A SLES 1 -14.3829 37.6328 0.849117 HCA2 5536 0 0 0 0.09 5540 5538 H2B SLES 1 -12.6683 38.1187 0.427655 HCA2 5536 0 0 0 0.09 5541 5539 C1 SLES 1 -12.9082 37.3259 2.51654 CC32A 5536 5540 5541 5542 -0.01 5542 5540 H1B SLES 1 -13.6415 37.406 3.3518 HCA2 5539 0 0 0 0.09 5543 5541 H1A SLES 1 -11.9353 37.7562 2.8501 HCA2 5539 0 0 0 0.09 5544 5542 O1 SLES 1 -12.6561 35.8743 2.43087 OC30A 5539 5543 0 0 -0.34 5545 5543 C2 SLES 1 -12.5238 35.3193 1.10533 CC32A 5542 5544 5545 5546 -0.01 5546 5544 H2A SLES 1 -13.5129 35.5513 0.664039 HCA2 5543 0 0 0 0.09 5547 5545 H2B SLES 1 -11.7597 35.9836 0.642478 HCA2 5543 0 0 0 0.09 5548 5546 C1 SLES 1 -12.1639 33.8274 0.819191 CC32A 5543 5547 5548 5549 -0.01 5549 5547 H1B SLES 1 -13.0953 33.2262 0.735362 HCA2 5546 0 0 0 0.09 5550 5548 H1A SLES 1 -11.6113 33.7616 -0.139451 HCA2 5546 0 0 0 0.09 5551 5549 O1 SLES 1 -11.4061 32.9908 1.7513 OC30A 5546 5550 0 0 -0.34 5552 5550 C1 SLES 1 -10.5912 31.936 1.12114 CTL2 5549 5551 5552 5553 -0.18 5553 5551 H11 SLES 1 -10.8847 31.8895 0.0567739 HAL2 5550 0 0 0 0.09 5554 5552 H12 SLES 1 -9.57488 32.3759 1.19104 HAL2 5550 0 0 0 0.09 5555 5553 C2 SLES 1 -10.5876 30.4798 1.73415 CTL2 5550 5554 5555 5556 -0.18 5556 5554 H21 SLES 1 -11.285 30.4475 2.60099 HAL2 5553 0 0 0 0.09 5557 5555 H22 SLES 1 -9.56623 30.2474 2.10756 HAL2 5553 0 0 0 0.09 5558 5556 C3 SLES 1 -11.0253 29.3622 0.66744 CTL2 5553 5557 5558 5559 -0.18 5559 5557 H31 SLES 1 -12.0711 29.0482 0.88172 HAL2 5556 0 0 0 0.09 5560 5558 H32 SLES 1 -11.0046 29.8046 -0.348462 HAL2 5556 0 0 0 0.09 5561 5559 C4 SLES 1 -10.0896 28.0831 0.690523 CTL2 5556 5560 5561 5562 -0.18 5562 5560 H41 SLES 1 -10.607 27.2688 1.23946 HAL2 5559 0 0 0 0.09 5563 5561 H42 SLES 1 -9.15402 28.3252 1.23932 HAL2 5559 0 0 0 0.09 5564 5562 C5 SLES 1 -9.71408 27.5701 -0.772566 CTL2 5559 5563 5564 5565 -0.18 5565 5563 H51 SLES 1 -10.4333 28.0005 -1.50396 HAL2 5562 0 0 0 0.09 5566 5564 H52 SLES 1 -8.69637 27.9386 -1.03602 HAL2 5562 0 0 0 0.09 5567 5565 C6 SLES 1 -9.73849 26 -0.897506 CTL2 5562 5566 5567 5568 -0.18 5568 5566 H61 SLES 1 -10.7952 25.6507 -0.875839 HAL2 5565 0 0 0 0.09 5569 5567 H62 SLES 1 -9.30083 25.7082 -1.88074 HAL2 5565 0 0 0 0.09 5570 5568 C7 SLES 1 -8.94373 25.2895 0.243469 CTL2 5565 5569 5570 5571 -0.18 5571 5569 H71 SLES 1 -9.58335 25.2361 1.1522 HAL2 5568 0 0 0 0.09 5572 5570 H72 SLES 1 -8.04385 25.8952 0.491896 HAL2 5568 0 0 0 0.09 5573 5571 C8 SLES 1 -8.49742 23.8573 -0.142589 CTL2 5568 5572 5573 5574 -0.18 5574 5572 H81 SLES 1 -9.35701 23.3202 -0.605287 HAL2 5571 0 0 0 0.09 5575 5573 H82 SLES 1 -7.68365 23.9216 -0.900388 HAL2 5571 0 0 0 0.09 5576 5574 C9 SLES 1 -7.99106 23.0464 1.0766 CTL2 5571 5575 5576 5577 -0.18 5577 5575 H91 SLES 1 -8.79508 23.0078 1.84628 HAL2 5574 0 0 0 0.09 5578 5576 H92 SLES 1 -7.11463 23.5694 1.52148 HAL2 5574 0 0 0 0.09 5579 5577 C10 SLES 1 -7.58086 21.6022 0.703182 CTL2 5574 5578 5579 5580 -0.18 5580 5578 H10 SLES 1 -8.46381 21.0714 0.279587 HAL2 5577 0 0 0 0.09 5581 5579 H10 SLES 1 -6.79254 21.6397 -0.0824199 HAL2 5577 0 0 0 0.09 5582 5580 C11 SLES 1 -7.04539 20.803 1.92071 CTL2 5577 5581 5582 5583 -0.18 5583 5581 H11 SLES 1 -7.83978 20.7625 2.70072 HAL2 5580 0 0 0 0.09 5584 5582 H11 SLES 1 -6.17394 21.3468 2.35165 HAL2 5580 0 0 0 0.09 5585 5583 C12 SLES 1 -6.60989 19.3553 1.57539 CTL3 5580 5584 5585 5586 -0.27 5586 5584 H12 SLES 1 -7.19794 18.6224 2.17068 HAL3 5583 0 0 0 0.09 5587 5585 H12 SLES 1 -5.53049 19.2118 1.80268 HAL3 5583 0 0 0 0.09 5588 5586 H12 SLES 1 -6.77512 19.1485 0.495545 HAL3 5583 0 0 0 0.09 5589 5587 NA SLES 1 0.184384 44.0833 2.95107 NA 0 0 0 0 1 5590 5588 S SLES 1 -1.4593 42.8355 -0.0641645 SL 5589 5590 5591 5592 1.33 5591 5589 OS1 SLES 1 -0.697755 41.8648 1.06955 OSL 5588 5593 0 0 -0.28 5592 5590 OS2 SLES 1 -2.48222 43.5715 0.649588 O2L 5588 0 0 0 -0.65 5593 5591 OS3 SLES 1 -0.448997 43.7485 -0.556447 O2L 5588 0 0 0 -0.65 5594 5592 OS4 SLES 1 -2.0548 42.1107 -1.17528 O2L 5588 0 0 0 -0.65 5595 5593 C2 SLES 1 -0.971341 40.4278 0.785874 CC32A 5589 5594 5595 5596 -0.11 5596 5594 H2A SLES 1 -2.07963 40.2361 0.740177 HCA2 5593 0 0 0 0.09 5597 5595 H2B SLES 1 -0.515144 40.1671 -0.209178 HCA2 5593 0 0 0 0.09 5598 5596 C1 SLES 1 -0.314062 39.5263 1.93526 CC32A 5593 5597 5598 5599 -0.01 5599 5597 H1B SLES 1 -0.699062 39.8428 2.93195 HCA2 5596 0 0 0 0.09 5600 5598 H1A SLES 1 0.794447 39.6456 1.92389 HCA2 5596 0 0 0 0.09 5601 5599 O1 SLES 1 -0.524895 38.0657 1.94362 OC30A 5596 5600 0 0 -0.34 5602 5600 C2 SLES 1 -0.971773 37.471 0.707007 CC32A 5599 5601 5602 5603 -0.01 5603 5601 H2A SLES 1 -1.93958 37.9852 0.546411 HCA2 5600 0 0 0 0.09 5604 5602 H2B SLES 1 -0.232011 37.8612 -0.0277321 HCA2 5600 0 0 0 0.09 5605 5603 C1 SLES 1 -1.15807 35.9351 0.498154 CC32A 5600 5604 5605 5606 -0.01 5606 5604 H1B SLES 1 -2.20046 35.6454 0.754169 HCA2 5603 0 0 0 0.09 5607 5605 H1A SLES 1 -0.971089 35.6851 -0.565401 HCA2 5603 0 0 0 0.09 5608 5606 O1 SLES 1 -0.420835 34.9256 1.25985 OC30A 5603 5607 0 0 -0.34 5609 5607 C1 SLES 1 -0.175897 33.6602 0.543771 CTL2 5606 5608 5609 5610 -0.18 5610 5608 H11 SLES 1 -0.783934 33.6847 -0.378653 HAL2 5607 0 0 0 0.09 5611 5609 H12 SLES 1 0.8933 33.7702 0.26811 HAL2 5607 0 0 0 0.09 5612 5610 C2 SLES 1 -0.398002 32.2847 1.28871 CTL2 5607 5611 5612 5613 -0.18 5613 5611 H21 SLES 1 -0.772692 32.4838 2.31769 HAL2 5610 0 0 0 0.09 5614 5612 H22 SLES 1 0.578034 31.759 1.37549 HAL2 5610 0 0 0 0.09 5615 5613 C3 SLES 1 -1.44255 31.3335 0.525515 CTL2 5610 5614 5615 5616 -0.18 5616 5614 H31 SLES 1 -2.41504 31.3579 1.06585 HAL2 5613 0 0 0 0.09 5617 5615 H32 SLES 1 -1.61133 31.7285 -0.496087 HAL2 5613 0 0 0 0.09 5618 5616 C4 SLES 1 -0.950258 29.8305 0.42097 CTL2 5613 5617 5618 5619 -0.18 5619 5617 H41 SLES 1 -1.48232 29.2239 1.18329 HAL2 5616 0 0 0 0.09 5620 5618 H42 SLES 1 0.137103 29.7861 0.646153 HAL2 5616 0 0 0 0.09 5621 5619 C5 SLES 1 -1.20693 29.1988 -1.02123 CTL2 5616 5620 5621 5622 -0.18 5622 5620 H51 SLES 1 -1.96283 29.8139 -1.5577 HAL2 5619 0 0 0 0.09 5623 5621 H52 SLES 1 -0.25963 29.2339 -1.60633 HAL2 5619 0 0 0 0.09 5624 5622 C6 SLES 1 -1.71458 27.709 -0.957263 CTL2 5619 5623 5624 5625 -0.18 5625 5623 H61 SLES 1 -2.76639 27.6994 -0.593021 HAL2 5622 0 0 0 0.09 5626 5624 H62 SLES 1 -1.7038 27.2784 -1.98579 HAL2 5622 0 0 0 0.09 5627 5625 C7 SLES 1 -0.843446 26.8123 -0.0217045 CTL2 5622 5626 5627 5628 -0.18 5628 5626 H71 SLES 1 -1.15879 26.9744 1.03282 HAL2 5625 0 0 0 0.09 5629 5627 H72 SLES 1 0.222363 27.1191 -0.11259 HAL2 5625 0 0 0 0.09 5630 5628 C8 SLES 1 -0.965186 25.3049 -0.357155 CTL2 5625 5629 5630 5631 -0.18 5631 5629 H81 SLES 1 -2.04101 25.0469 -0.489335 HAL2 5628 0 0 0 0.09 5632 5630 H82 SLES 1 -0.442113 25.1029 -1.31955 HAL2 5628 0 0 0 0.09 5633 5631 C9 SLES 1 -0.360232 24.4022 0.747135 CTL2 5628 5632 5633 5634 -0.18 5634 5632 H91 SLES 1 -0.863474 24.6259 1.71514 HAL2 5631 0 0 0 0.09 5635 5633 H92 SLES 1 0.72135 24.6412 0.859091 HAL2 5631 0 0 0 0.09 5636 5634 C10 SLES 1 -0.514259 22.8947 0.43545 CTL2 5631 5635 5636 5637 -0.18 5637 5635 H10 SLES 1 -1.59743 22.6505 0.346488 HAL2 5634 0 0 0 0.09 5638 5636 H10 SLES 1 -0.0304947 22.6744 -0.543052 HAL2 5634 0 0 0 0.09 5639 5637 C11 SLES 1 0.1199 21.9941 1.52847 CTL2 5634 5638 5639 5640 -0.18 5640 5638 H11 SLES 1 -0.37196 22.2133 2.50374 HAL2 5637 0 0 0 0.09 5641 5639 H11 SLES 1 1.19862 22.2543 1.62626 HAL2 5637 0 0 0 0.09 5642 5640 C12 SLES 1 -0.00346764 20.4761 1.2366 CTL3 5637 5641 5642 5643 -0.27 5643 5641 H12 SLES 1 -0.562142 19.9695 2.05424 HAL3 5640 0 0 0 0.09 5644 5642 H12 SLES 1 1.00548 20.0145 1.15774 HAL3 5640 0 0 0 0.09 5645 5643 H12 SLES 1 -0.545495 20.3086 0.280431 HAL3 5640 0 0 0 0.09 5646 5644 NA SLES 1 14.4045 41.7223 1.95926 NA 0 0 0 0 1 5647 5645 S SLES 1 11.6366 41.2487 -0.378486 SL 5646 5647 5648 5649 1.33 5648 5646 OS1 SLES 1 12.371 40.0128 0.482004 OSL 5645 5650 0 0 -0.28 5649 5647 OS2 SLES 1 11.1477 42.195 0.602849 O2L 5645 0 0 0 -0.65 5650 5648 OS3 SLES 1 12.6799 41.8602 -1.17487 O2L 5645 0 0 0 -0.65 5651 5649 OS4 SLES 1 10.5456 40.8188 -1.23834 O2L 5645 0 0 0 -0.65 5652 5650 C2 SLES 1 11.6032 38.7457 0.322441 CC32A 5646 5651 5652 5653 -0.11 5653 5651 H2A SLES 1 10.5287 38.8918 0.624523 HCA2 5650 0 0 0 0.09 5654 5652 H2B SLES 1 11.6391 38.4403 -0.759994 HCA2 5650 0 0 0 0.09 5655 5653 C1 SLES 1 12.2689 37.605 1.22878 CC32A 5650 5654 5655 5656 -0.01 5656 5654 H1B SLES 1 12.3149 37.9425 2.2898 HCA2 5653 0 0 0 0.09 5657 5655 H1A SLES 1 13.3046 37.3943 0.873663 HCA2 5653 0 0 0 0.09 5658 5656 O1 SLES 1 11.6382 36.2745 1.32799 OC30A 5653 5657 0 0 -0.34 5659 5657 C2 SLES 1 10.6835 35.9345 0.300579 CC32A 5656 5658 5659 5660 -0.01 5660 5658 H2A SLES 1 9.91557 36.7209 0.437372 HCA2 5657 0 0 0 0.09 5661 5659 H2B SLES 1 11.2511 36.1461 -0.633498 HCA2 5657 0 0 0 0.09 5662 5660 C1 SLES 1 9.98717 34.5419 0.186999 CC32A 5657 5661 5662 5663 -0.01 5663 5661 H1B SLES 1 9.03294 34.552 0.757424 HCA2 5660 0 0 0 0.09 5664 5662 H1A SLES 1 9.76221 34.331 -0.877674 HCA2 5660 0 0 0 0.09 5665 5663 O1 SLES 1 10.5764 33.3048 0.701903 OC30A 5660 5664 0 0 -0.34 5666 5664 C1 SLES 1 10.2003 32.0825 -0.0320091 CTL2 5663 5665 5666 5667 -0.18 5667 5665 H11 SLES 1 9.38146 32.3556 -0.721985 HAL2 5664 0 0 0 0.09 5668 5666 H12 SLES 1 11.1185 31.8949 -0.62617 HAL2 5664 0 0 0 0.09 5669 5667 C2 SLES 1 9.80572 30.7795 0.769647 CTL2 5664 5668 5669 5670 -0.18 5670 5668 H21 SLES 1 9.83507 30.9996 1.86029 HAL2 5667 0 0 0 0.09 5671 5669 H22 SLES 1 10.5555 29.9854 0.560322 HAL2 5667 0 0 0 0.09 5672 5670 C3 SLES 1 8.344 30.2386 0.383327 CTL2 5667 5671 5672 5673 -0.18 5673 5671 H31 SLES 1 7.6333 30.5055 1.19693 HAL2 5670 0 0 0 0.09 5674 5672 H32 SLES 1 8.00511 30.7435 -0.543198 HAL2 5670 0 0 0 0.09 5675 5673 C4 SLES 1 8.30281 28.6701 0.158889 CTL2 5670 5674 5675 5676 -0.18 5676 5674 H41 SLES 1 7.86589 28.1894 1.05896 HAL2 5673 0 0 0 0.09 5677 5675 H42 SLES 1 9.3406 28.2913 0.0381918 HAL2 5673 0 0 0 0.09 5678 5676 C5 SLES 1 7.44748 28.2551 -1.12209 CTL2 5673 5677 5678 5679 -0.18 5679 5677 H51 SLES 1 6.78926 29.1044 -1.40997 HAL2 5676 0 0 0 0.09 5680 5678 H52 SLES 1 8.14001 28.0557 -1.97155 HAL2 5676 0 0 0 0.09 5681 5679 C6 SLES 1 6.55601 26.9795 -0.87785 CTL2 5676 5680 5681 5682 -0.18 5682 5680 H61 SLES 1 5.71051 27.2509 -0.206616 HAL2 5679 0 0 0 0.09 5683 5681 H62 SLES 1 6.12738 26.6455 -1.85159 HAL2 5679 0 0 0 0.09 5684 5682 C7 SLES 1 7.35262 25.7971 -0.240956 CTL2 5679 5683 5684 5685 -0.18 5685 5683 H71 SLES 1 7.43212 25.9626 0.856329 HAL2 5682 0 0 0 0.09 5686 5684 H72 SLES 1 8.38266 25.7837 -0.661877 HAL2 5682 0 0 0 0.09 5687 5685 C8 SLES 1 6.68541 24.4225 -0.495367 CTL2 5682 5686 5687 5688 -0.18 5688 5686 H81 SLES 1 5.59433 24.5026 -0.284367 HAL2 5685 0 0 0 0.09 5689 5687 H82 SLES 1 6.80936 24.1509 -1.56844 HAL2 5685 0 0 0 0.09 5690 5688 C9 SLES 1 7.2899 23.2994 0.384259 CTL2 5685 5689 5690 5691 -0.18 5691 5689 H91 SLES 1 7.19216 23.5855 1.45616 HAL2 5688 0 0 0 0.09 5692 5690 H92 SLES 1 8.37441 23.2012 0.152586 HAL2 5688 0 0 0 0.09 5693 5691 C10 SLES 1 6.60056 21.9323 0.162416 CTL2 5688 5692 5693 5694 -0.18 5694 5692 H10 SLES 1 5.51996 22.0244 0.416539 HAL2 5691 0 0 0 0.09 5695 5693 H10 SLES 1 6.67858 21.6561 -0.913515 HAL2 5691 0 0 0 0.09 5696 5694 C11 SLES 1 7.22874 20.8036 1.02227 CTL2 5691 5695 5696 5697 -0.18 5697 5695 H11 SLES 1 7.14209 21.0814 2.09765 HAL2 5694 0 0 0 0.09 5698 5696 H11 SLES 1 8.31284 20.7275 0.777632 HAL2 5694 0 0 0 0.09 5699 5697 C12 SLES 1 6.56991 19.416 0.809997 CTL3 5694 5698 5699 5700 -0.27 5700 5698 H12 SLES 1 6.15575 19.034 1.76911 HAL3 5697 0 0 0 0.09 5701 5699 H12 SLES 1 7.31931 18.6861 0.431838 HAL3 5697 0 0 0 0.09 5702 5700 H12 SLES 1 5.74248 19.4893 0.0709973 HAL3 5697 0 0 0 0.09 5703 5701 NA SLES 1 26.9608 34.9937 0.799375 NA 0 0 0 0 1 5704 5702 S SLES 1 23.6787 35.7202 -0.632383 SL 5703 5704 5705 5706 1.33 5705 5703 OS1 SLES 1 24.1772 34.2015 -0.130008 OSL 5702 5707 0 0 -0.28 5706 5704 OS2 SLES 1 23.7912 36.5891 0.520796 O2L 5702 0 0 0 -0.65 5707 5705 OS3 SLES 1 24.617 36.1345 -1.65436 O2L 5702 0 0 0 -0.65 5708 5706 OS4 SLES 1 22.3233 35.7666 -1.15709 O2L 5702 0 0 0 -0.65 5709 5707 C2 SLES 1 23.0314 33.2491 -0.150592 CC32A 5703 5708 5709 5710 -0.11 5710 5708 H2A SLES 1 22.1778 33.6414 0.469602 HCA2 5707 0 0 0 0.09 5711 5709 H2B SLES 1 22.6845 33.1307 -1.21448 HCA2 5707 0 0 0 0.09 5712 5710 C1 SLES 1 23.5097 31.8322 0.423356 CC32A 5707 5711 5712 5713 -0.01 5713 5711 H1B SLES 1 23.9358 31.9613 1.4449 HCA2 5710 0 0 0 0.09 5714 5712 H1A SLES 1 24.2935 31.3987 -0.240684 HCA2 5710 0 0 0 0.09 5715 5713 O1 SLES 1 22.536 30.7379 0.602914 OC30A 5710 5714 0 0 -0.34 5716 5714 C2 SLES 1 21.2898 30.8585 -0.114912 CC32A 5713 5715 5716 5717 -0.01 5717 5715 H2A SLES 1 20.877 31.7961 0.30618 HCA2 5714 0 0 0 0.09 5718 5716 H2B SLES 1 21.6311 31.0529 -1.1566 HCA2 5714 0 0 0 0.09 5719 5717 C1 SLES 1 20.181 29.7596 -0.122914 CC32A 5714 5718 5719 5720 -0.01 5720 5718 H1B SLES 1 19.4634 29.9447 0.705897 HCA2 5717 0 0 0 0.09 5721 5719 H1A SLES 1 19.6313 29.8015 -1.0845 HCA2 5717 0 0 0 0.09 5722 5720 O1 SLES 1 20.4569 28.3385 0.0941549 OC30A 5717 5721 0 0 -0.34 5723 5721 C1 SLES 1 19.5326 27.413 -0.586357 CTL2 5720 5722 5723 5724 -0.18 5724 5722 H11 SLES 1 18.694 28.0178 -0.976227 HAL2 5721 0 0 0 0.09 5725 5723 H12 SLES 1 20.1544 27.0744 -1.44077 HAL2 5721 0 0 0 0.09 5726 5724 C2 SLES 1 18.9657 26.1608 0.192705 CTL2 5721 5725 5726 5727 -0.18 5727 5725 H21 SLES 1 19.347 26.1787 1.23824 HAL2 5724 0 0 0 0.09 5728 5726 H22 SLES 1 19.3407 25.2331 -0.292533 HAL2 5724 0 0 0 0.09 5729 5727 C3 SLES 1 17.3605 26.1286 0.22065 CTL2 5724 5728 5729 5730 -0.18 5730 5728 H31 SLES 1 17.0103 26.4467 1.22783 HAL2 5727 0 0 0 0.09 5731 5729 H32 SLES 1 16.9716 26.8558 -0.51977 HAL2 5727 0 0 0 0.09 5732 5730 C4 SLES 1 16.7635 24.6964 -0.102519 CTL2 5727 5731 5732 5733 -0.18 5733 5731 H41 SLES 1 16.4464 24.2164 0.846783 HAL2 5730 0 0 0 0.09 5734 5732 H42 SLES 1 17.5566 24.0645 -0.557335 HAL2 5730 0 0 0 0.09 5735 5733 C5 SLES 1 15.5179 24.7601 -1.09706 CTL2 5730 5734 5735 5736 -0.18 5736 5734 H51 SLES 1 15.1145 25.7967 -1.10777 HAL2 5733 0 0 0 0.09 5737 5735 H52 SLES 1 15.8639 24.5169 -2.12766 HAL2 5733 0 0 0 0.09 5738 5736 C6 SLES 1 14.3619 23.7675 -0.697279 CTL2 5733 5737 5738 5739 -0.18 5739 5737 H61 SLES 1 13.8532 24.1517 0.215196 HAL2 5736 0 0 0 0.09 5740 5738 H62 SLES 1 13.611 23.7357 -1.52102 HAL2 5736 0 0 0 0.09 5741 5739 C7 SLES 1 14.876 22.319 -0.421991 CTL2 5736 5740 5741 5742 -0.18 5742 5740 H71 SLES 1 15.2872 22.2701 0.610611 HAL2 5739 0 0 0 0.09 5743 5741 H72 SLES 1 15.7005 22.0844 -1.13157 HAL2 5739 0 0 0 0.09 5744 5742 C8 SLES 1 13.7627 21.2522 -0.571244 CTL2 5739 5743 5744 5745 -0.18 5745 5743 H81 SLES 1 12.8492 21.6021 -0.0378411 HAL2 5742 0 0 0 0.09 5746 5744 H82 SLES 1 13.5093 21.1392 -1.64996 HAL2 5742 0 0 0 0.09 5747 5745 C9 SLES 1 14.184 19.8738 -0.00300511 CTL2 5742 5746 5747 5748 -0.18 5748 5746 H91 SLES 1 14.4656 19.9932 1.06788 HAL2 5745 0 0 0 0.09 5749 5747 H92 SLES 1 15.0803 19.5122 -0.555515 HAL2 5745 0 0 0 0.09 5750 5748 C10 SLES 1 13.0614 18.8151 -0.114076 CTL2 5745 5749 5750 5751 -0.18 5751 5749 H10 SLES 1 12.1725 19.1661 0.458135 HAL2 5748 0 0 0 0.09 5752 5750 H10 SLES 1 12.7639 18.7112 -1.18212 HAL2 5748 0 0 0 0.09 5753 5751 C11 SLES 1 13.4973 17.4278 0.427831 CTL2 5748 5752 5753 5754 -0.18 5754 5752 H11 SLES 1 13.7873 17.5358 1.49805 HAL2 5751 0 0 0 0.09 5755 5753 H11 SLES 1 14.3969 17.0893 -0.135167 HAL2 5751 0 0 0 0.09 5756 5754 C12 SLES 1 12.3985 16.3395 0.315134 CTL3 5751 5755 5756 5757 -0.27 5757 5755 H12 SLES 1 12.1491 15.9365 1.32146 HAL3 5754 0 0 0 0.09 5758 5756 H12 SLES 1 12.7496 15.5007 -0.32555 HAL3 5754 0 0 0 0.09 5759 5757 H12 SLES 1 11.4755 16.7663 -0.13434 HAL3 5754 0 0 0 0.09 5760 5758 NA SLES 1 36.5766 24.7794 -0.462791 NA 0 0 0 0 1 5761 5759 S SLES 1 33.5032 26.7176 -0.847635 SL 5760 5761 5762 5763 1.33 5762 5760 OS1 SLES 1 33.5624 25.0458 -0.75205 OSL 5759 5764 0 0 -0.28 5763 5761 OS2 SLES 1 34.119 27.218 0.363936 O2L 5759 0 0 0 -0.65 5764 5762 OS3 SLES 1 34.3061 27.0841 -1.9955 O2L 5759 0 0 0 -0.65 5765 5763 OS4 SLES 1 32.1636 27.2663 -0.985391 O2L 5759 0 0 0 -0.65 5766 5764 C2 SLES 1 32.1866 24.4867 -0.630867 CC32A 5760 5765 5766 5767 -0.11 5767 5765 H2A SLES 1 31.6486 24.9423 0.246719 HCA2 5764 0 0 0 0.09 5768 5766 H2B SLES 1 31.6187 24.7283 -1.57179 HCA2 5764 0 0 0 0.09 5769 5767 C1 SLES 1 32.2746 22.8981 -0.44504 CC32A 5764 5768 5769 5770 -0.01 5770 5768 H1B SLES 1 32.9109 22.6543 0.436735 HCA2 5767 0 0 0 0.09 5771 5769 H1A SLES 1 32.7259 22.4342 -1.35295 HCA2 5767 0 0 0 0.09 5772 5770 O1 SLES 1 31.0502 22.111 -0.201948 OC30A 5767 5771 0 0 -0.34 5773 5771 C2 SLES 1 29.7982 22.7442 -0.539536 CC32A 5770 5772 5773 5774 -0.01 5774 5772 H2A SLES 1 29.8078 23.6308 0.12427 HCA2 5771 0 0 0 0.09 5775 5773 H2B SLES 1 29.9733 23.0784 -1.58693 HCA2 5771 0 0 0 0.09 5776 5774 C1 SLES 1 28.4107 22.0355 -0.440349 CC32A 5771 5775 5776 5777 -0.01 5777 5775 H1B SLES 1 27.9711 22.2104 0.565741 HCA2 5774 0 0 0 0.09 5778 5776 H1A SLES 1 27.7282 22.4585 -1.20447 HCA2 5774 0 0 0 0.09 5779 5777 O1 SLES 1 28.2404 20.5851 -0.54181 OC30A 5774 5778 0 0 -0.34 5780 5778 C1 SLES 1 26.9487 20.1467 -1.10153 CTL2 5777 5779 5780 5781 -0.18 5781 5779 H11 SLES 1 26.2967 21.0374 -1.15313 HAL2 5778 0 0 0 0.09 5782 5780 H12 SLES 1 27.2443 19.862 -2.13248 HAL2 5778 0 0 0 0.09 5783 5781 C2 SLES 1 26.1657 18.9552 -0.420676 CTL2 5778 5782 5783 5784 -0.18 5784 5782 H21 SLES 1 26.7286 18.615 0.477176 HAL2 5781 0 0 0 0.09 5785 5783 H22 SLES 1 26.1118 18.1038 -1.13395 HAL2 5781 0 0 0 0.09 5786 5784 C3 SLES 1 24.6778 19.3687 0.0192694 CTL2 5781 5785 5786 5787 -0.18 5787 5785 H31 SLES 1 24.6563 19.5218 1.12127 HAL2 5784 0 0 0 0.09 5788 5786 H32 SLES 1 24.4127 20.3309 -0.462706 HAL2 5784 0 0 0 0.09 5789 5787 C4 SLES 1 23.5917 18.282 -0.370124 CTL2 5784 5788 5789 5790 -0.18 5790 5788 H41 SLES 1 23.3268 17.6976 0.535685 HAL2 5787 0 0 0 0.09 5791 5789 H42 SLES 1 24.0273 17.5811 -1.11442 HAL2 5787 0 0 0 0.09 5792 5790 C5 SLES 1 22.2672 18.9284 -0.980437 CTL2 5787 5791 5792 5793 -0.18 5793 5791 H51 SLES 1 22.2335 20.0077 -0.713292 HAL2 5790 0 0 0 0.09 5794 5792 H52 SLES 1 22.3048 18.8518 -2.09114 HAL2 5790 0 0 0 0.09 5795 5793 C6 SLES 1 20.951 18.2342 -0.463497 CTL2 5790 5794 5795 5796 -0.18 5796 5794 H61 SLES 1 20.7863 18.5158 0.60076 HAL2 5793 0 0 0 0.09 5797 5795 H62 SLES 1 20.0855 18.6122 -1.05628 HAL2 5793 0 0 0 0.09 5798 5796 C7 SLES 1 21.0032 16.6776 -0.576271 CTL2 5793 5797 5798 5799 -0.18 5799 5797 H71 SLES 1 21.5693 16.2699 0.290353 HAL2 5796 0 0 0 0.09 5800 5798 H72 SLES 1 21.5486 16.3981 -1.50509 HAL2 5796 0 0 0 0.09 5801 5799 C8 SLES 1 19.5946 16.0338 -0.604924 CTL2 5796 5800 5801 5802 -0.18 5802 5800 H81 SLES 1 18.9703 16.4876 0.198705 HAL2 5799 0 0 0 0.09 5803 5801 H82 SLES 1 19.1119 16.2579 -1.58343 HAL2 5799 0 0 0 0.09 5804 5802 C9 SLES 1 19.6415 14.4984 -0.403245 CTL2 5799 5803 5804 5805 -0.18 5805 5803 H91 SLES 1 20.1507 14.2743 0.561528 HAL2 5802 0 0 0 0.09 5806 5804 H92 SLES 1 20.2422 14.043 -1.22253 HAL2 5802 0 0 0 0.09 5807 5805 C10 SLES 1 18.2344 13.8555 -0.391847 CTL2 5802 5806 5807 5808 -0.18 5808 5806 H10 SLES 1 17.6408 14.2942 0.442464 HAL2 5805 0 0 0 0.09 5809 5807 H10 SLES 1 17.7161 14.0978 -1.34721 HAL2 5805 0 0 0 0.09 5810 5808 C11 SLES 1 18.2867 12.3141 -0.220483 CTL2 5805 5809 5810 5811 -0.18 5811 5809 H11 SLES 1 18.7998 12.0771 0.739569 HAL2 5808 0 0 0 0.09 5812 5810 H11 SLES 1 18.8961 11.8819 -1.04676 HAL2 5808 0 0 0 0.09 5813 5811 C12 SLES 1 16.8915 11.6374 -0.221736 CTL3 5808 5812 5813 5814 -0.27 5814 5812 H12 SLES 1 16.7256 11.092 0.733431 HAL3 5811 0 0 0 0.09 5815 5813 H12 SLES 1 16.8143 10.9125 -1.06187 HAL3 5811 0 0 0 0.09 5816 5814 H12 SLES 1 16.0912 12.4005 -0.337566 HAL3 5811 0 0 0 0.09 5817 5815 NA SLES 1 42.4025 12.2899 -1.75139 NA 0 0 0 0 1 5818 5816 S SLES 1 40.1165 15.0525 -1.04982 SL 5817 5818 5819 5820 1.33 5819 5817 OS1 SLES 1 39.632 13.4806 -1.3687 OSL 5816 5821 0 0 -0.28 5820 5818 OS2 SLES 1 40.9942 14.984 0.100121 O2L 5816 0 0 0 -0.65 5821 5819 OS3 SLES 1 40.8615 15.4881 -2.21248 O2L 5816 0 0 0 -0.65 5822 5820 OS4 SLES 1 39.0259 15.9775 -0.786033 O2L 5816 0 0 0 -0.65 5823 5821 C2 SLES 1 38.1715 13.3291 -1.11532 CC32A 5817 5822 5823 5824 -0.11 5824 5822 H2A SLES 1 37.9154 13.6467 -0.0661473 HCA2 5821 0 0 0 0.09 5825 5823 H2B SLES 1 37.6134 13.9839 -1.84061 HCA2 5821 0 0 0 0.09 5826 5824 C1 SLES 1 37.7516 11.7989 -1.33425 CC32A 5821 5825 5826 5827 -0.01 5827 5825 H1B SLES 1 38.3664 11.1396 -0.679198 HCA2 5824 0 0 0 0.09 5828 5826 H1A SLES 1 37.9202 11.5074 -2.39713 HCA2 5824 0 0 0 0.09 5829 5827 O1 SLES 1 36.3715 11.3606 -1.04909 OC30A 5824 5828 0 0 -0.34 5830 5828 C2 SLES 1 35.3685 12.3953 -0.972465 CC32A 5827 5829 5830 5831 -0.01 5831 5829 H2A SLES 1 35.7439 13.0113 -0.131944 HCA2 5828 0 0 0 0.09 5832 5830 H2B SLES 1 35.5255 12.9523 -1.92349 HCA2 5828 0 0 0 0.09 5833 5831 C1 SLES 1 33.8453 12.1169 -0.773331 CC32A 5828 5832 5833 5834 -0.01 5834 5832 H1B SLES 1 33.6034 12.1128 0.311808 HCA2 5831 0 0 0 0.09 5835 5833 H1A SLES 1 33.2593 12.9192 -1.26471 HCA2 5831 0 0 0 0.09 5836 5834 O1 SLES 1 33.1966 10.8698 -1.18163 OC30A 5831 5835 0 0 -0.34 5837 5835 C1 SLES 1 31.7785 11.0007 -1.56365 CTL2 5834 5836 5837 5838 -0.18 5838 5836 H11 SLES 1 31.4549 12.0163 -1.27203 HAL2 5835 0 0 0 0.09 5839 5837 H12 SLES 1 31.8465 10.953 -2.67016 HAL2 5835 0 0 0 0.09 5840 5838 C2 SLES 1 30.7281 9.94033 -1.04548 CTL2 5835 5839 5840 5841 -0.18 5841 5839 H21 SLES 1 31.2443 9.20933 -0.383643 HAL2 5838 0 0 0 0.09 5842 5840 H22 SLES 1 30.3173 9.38346 -1.91593 HAL2 5838 0 0 0 0.09 5843 5841 C3 SLES 1 29.5186 10.6178 -0.235227 CTL2 5838 5842 5843 5844 -0.18 5844 5842 H31 SLES 1 29.6721 10.4462 0.853471 HAL2 5841 0 0 0 0.09 5845 5843 H32 SLES 1 29.5331 11.7118 -0.412211 HAL2 5841 0 0 0 0.09 5846 5844 C4 SLES 1 28.0988 10.0484 -0.650184 CTL2 5841 5845 5846 5847 -0.18 5847 5845 H41 SLES 1 27.7594 9.32936 0.124315 HAL2 5844 0 0 0 0.09 5848 5846 H42 SLES 1 28.193 9.49767 -1.61082 HAL2 5844 0 0 0 0.09 5849 5847 C5 SLES 1 27.0016 11.1946 -0.815488 CTL2 5844 5848 5849 5850 -0.18 5850 5848 H51 SLES 1 27.3555 12.1134 -0.297765 HAL2 5847 0 0 0 0.09 5851 5849 H52 SLES 1 26.8874 11.434 -1.89742 HAL2 5847 0 0 0 0.09 5852 5850 C6 SLES 1 25.5969 10.7885 -0.229675 CTL2 5847 5851 5852 5853 -0.18 5853 5851 H61 SLES 1 25.6543 10.7863 0.881979 HAL2 5850 0 0 0 0.09 5854 5852 H62 SLES 1 24.8436 11.5528 -0.532735 HAL2 5850 0 0 0 0.09 5855 5853 C7 SLES 1 25.1204 9.38392 -0.717882 CTL2 5850 5854 5855 5856 -0.18 5856 5854 H71 SLES 1 25.6138 8.59936 -0.102437 HAL2 5853 0 0 0 0.09 5857 5855 H72 SLES 1 25.4358 9.23989 -1.77531 HAL2 5853 0 0 0 0.09 5858 5856 C8 SLES 1 23.5845 9.2077 -0.620691 CTL2 5853 5857 5858 5859 -0.18 5859 5857 H81 SLES 1 23.2387 9.5696 0.374711 HAL2 5856 0 0 0 0.09 5860 5858 H82 SLES 1 23.0963 9.83276 -1.40274 HAL2 5856 0 0 0 0.09 5861 5859 C9 SLES 1 23.1453 7.7333 -0.803774 CTL2 5856 5860 5861 5862 -0.18 5862 5860 H91 SLES 1 23.6568 7.10451 -0.0400507 HAL2 5859 0 0 0 0.09 5863 5861 H92 SLES 1 23.4668 7.38116 -1.80982 HAL2 5859 0 0 0 0.09 5864 5862 C10 SLES 1 21.6156 7.54589 -0.668589 CTL2 5859 5863 5864 5865 -0.18 5865 5863 H10 SLES 1 21.297 7.87635 0.346341 HAL2 5862 0 0 0 0.09 5866 5864 H10 SLES 1 21.1026 8.19117 -1.41724 HAL2 5862 0 0 0 0.09 5867 5865 C11 SLES 1 21.1761 6.07319 -0.882999 CTL2 5862 5866 5867 5868 -0.18 5868 5866 H11 SLES 1 21.6865 5.4329 -0.127589 HAL2 5865 0 0 0 0.09 5869 5867 H11 SLES 1 21.5125 5.74173 -1.89189 HAL2 5865 0 0 0 0.09 5870 5868 C12 SLES 1 19.645 5.85517 -0.770231 CTL3 5865 5869 5870 5871 -0.27 5871 5869 H12 SLES 1 19.4167 5.12909 0.0409615 HAL3 5868 0 0 0 0.09 5872 5870 H12 SLES 1 19.2398 5.45706 -1.72662 HAL3 5868 0 0 0 0.09 5873 5871 H12 SLES 1 19.1331 6.81513 -0.540874 HAL3 5868 0 0 0 0.09 5874 5872 NA SLES 1 44.0666 -1.13541 -2.98795 NA 0 0 0 0 1 5875 5873 S SLES 1 42.8026 1.82887 -1.26578 SL 5874 5875 5876 5877 1.33 5876 5874 OS1 SLES 1 41.8331 0.654828 -1.96505 OSL 5873 5878 0 0 -0.28 5877 5875 OS2 SLES 1 43.6309 1.14783 -0.292291 O2L 5873 0 0 0 -0.65 5878 5876 OS3 SLES 1 43.6285 2.35649 -2.33166 O2L 5873 0 0 0 -0.65 5879 5877 OS4 SLES 1 42.0721 2.91029 -0.624513 O2L 5873 0 0 0 -0.65 5880 5878 C2 SLES 1 40.4059 0.879636 -1.60046 CC32A 5874 5879 5880 5881 -0.11 5881 5879 H2A SLES 1 40.2832 0.91939 -0.482181 HCA2 5878 0 0 0 0.09 5882 5880 H2B SLES 1 40.0759 1.8623 -2.03833 HCA2 5878 0 0 0 0.09 5883 5881 C1 SLES 1 39.5125 -0.307035 -2.20007 CC32A 5878 5882 5883 5884 -0.01 5884 5882 H1B SLES 1 39.8936 -1.28918 -1.83678 HCA2 5881 0 0 0 0.09 5885 5883 H1A SLES 1 39.5606 -0.292756 -3.31391 HCA2 5881 0 0 0 0.09 5886 5884 O1 SLES 1 38.0698 -0.375096 -1.89685 OC30A 5881 5885 0 0 -0.34 5887 5885 C2 SLES 1 37.4543 0.8368 -1.41205 CC32A 5884 5886 5887 5888 -0.01 5888 5886 H2A SLES 1 38.0219 1.02015 -0.478749 HCA2 5885 0 0 0 0.09 5889 5887 H2B SLES 1 37.7662 1.58564 -2.17451 HCA2 5885 0 0 0 0.09 5890 5888 C1 SLES 1 35.9261 0.982626 -1.12835 CC32A 5885 5889 5890 5891 -0.01 5891 5889 H1B SLES 1 35.714 0.716776 -0.069871 HCA2 5888 0 0 0 0.09 5892 5890 H1A SLES 1 35.6211 2.03466 -1.29819 HCA2 5888 0 0 0 0.09 5893 5891 O1 SLES 1 34.904 0.178728 -1.80058 OC30A 5888 5892 0 0 -0.34 5894 5892 C1 SLES 1 33.5972 0.841706 -1.96401 CTL2 5891 5893 5894 5895 -0.18 5895 5893 H11 SLES 1 33.6223 1.76544 -1.35799 HAL2 5892 0 0 0 0.09 5896 5894 H12 SLES 1 33.6276 1.11975 -3.03781 HAL2 5892 0 0 0 0.09 5897 5895 C2 SLES 1 32.2704 0.0412081 -1.65556 CTL2 5892 5896 5897 5898 -0.18 5898 5896 H21 SLES 1 32.5351 -0.978032 -1.29513 HAL2 5895 0 0 0 0.09 5899 5897 H22 SLES 1 31.6877 -0.0688735 -2.59628 HAL2 5895 0 0 0 0.09 5900 5898 C3 SLES 1 31.3568 0.766496 -0.552035 CTL2 5895 5899 5900 5901 -0.18 5901 5899 H31 SLES 1 31.4652 0.229361 0.41648 HAL2 5898 0 0 0 0.09 5902 5900 H32 SLES 1 31.7194 1.80378 -0.407852 HAL2 5898 0 0 0 0.09 5903 5901 C4 SLES 1 29.8226 0.808243 -0.947733 CTL2 5898 5902 5903 5904 -0.18 5904 5902 H41 SLES 1 29.2829 0.0225727 -0.378831 HAL2 5901 0 0 0 0.09 5905 5903 H42 SLES 1 29.7185 0.57948 -2.03026 HAL2 5901 0 0 0 0.09 5906 5904 C5 SLES 1 29.1497 2.22369 -0.650247 CTL2 5901 5905 5906 5907 -0.18 5907 5905 H51 SLES 1 29.7889 2.78636 0.065489 HAL2 5904 0 0 0 0.09 5908 5906 H52 SLES 1 29.1004 2.80805 -1.59737 HAL2 5904 0 0 0 0.09 5909 5907 C6 SLES 1 27.699 2.0994 -0.0489993 CTL2 5904 5908 5909 5910 -0.18 5910 5908 H61 SLES 1 27.7713 1.73696 1.00099 HAL2 5907 0 0 0 0.09 5911 5909 H62 SLES 1 27.2266 3.10933 -0.0315289 HAL2 5907 0 0 0 0.09 5912 5910 C7 SLES 1 26.788 1.12619 -0.862156 CTL2 5907 5911 5912 5913 -0.18 5913 5911 H71 SLES 1 27.0131 0.0797929 -0.558625 HAL2 5910 0 0 0 0.09 5914 5912 H72 SLES 1 27.0225 1.22771 -1.94523 HAL2 5910 0 0 0 0.09 5915 5913 C8 SLES 1 25.2789 1.39956 -0.64459 CTL2 5910 5914 5915 5916 -0.18 5916 5914 H81 SLES 1 25.0846 1.52294 0.445557 HAL2 5913 0 0 0 0.09 5917 5915 H82 SLES 1 25.0046 2.3519 -1.15297 HAL2 5913 0 0 0 0.09 5918 5916 C9 SLES 1 24.3858 0.257991 -1.19187 CTL2 5913 5917 5918 5919 -0.18 5919 5917 H91 SLES 1 24.6807 -0.69909 -0.704665 HAL2 5916 0 0 0 0.09 5920 5918 H92 SLES 1 24.5601 0.154028 -2.28655 HAL2 5916 0 0 0 0.09 5921 5919 C10 SLES 1 22.8796 0.507673 -0.942094 CTL2 5916 5920 5921 5922 -0.18 5922 5920 H10 SLES 1 22.7013 0.588454 0.154477 HAL2 5919 0 0 0 0.09 5923 5921 H10 SLES 1 22.5889 1.47542 -1.41007 HAL2 5919 0 0 0 0.09 5924 5922 C11 SLES 1 21.9863 -0.622606 -1.51864 CTL2 5919 5923 5924 5925 -0.18 5925 5923 H11 SLES 1 22.2762 -1.58715 -1.04252 HAL2 5922 0 0 0 0.09 5926 5924 H11 SLES 1 22.1813 -0.711539 -2.61181 HAL2 5922 0 0 0 0.09 5927 5925 C12 SLES 1 20.4685 -0.393205 -1.29882 CTL3 5922 5926 5927 5928 -0.27 5928 5926 H12 SLES 1 20.0325 -1.23 -0.709755 HAL3 5925 0 0 0 0.09 5929 5927 H12 SLES 1 19.9408 -0.335209 -2.27633 HAL3 5925 0 0 0 0.09 5930 5928 H12 SLES 1 20.2965 0.556229 -0.746446 HAL3 5925 0 0 0 0.09 5931 5929 NA SLES 1 41.6356 -14.2042 -4.09909 NA 0 0 0 0 1 5932 5930 S SLES 1 41.219 -11.6487 -1.52105 SL 5931 5932 5933 5934 1.33 5933 5931 OS1 SLES 1 39.9925 -12.1861 -2.52818 OSL 5930 5935 0 0 -0.28 5934 5932 OS2 SLES 1 41.7147 -12.8164 -0.822308 O2L 5930 0 0 0 -0.65 5935 5933 OS3 SLES 1 42.2502 -11.1198 -2.38902 O2L 5930 0 0 0 -0.65 5936 5934 OS4 SLES 1 40.8107 -10.6342 -0.562628 O2L 5930 0 0 0 -0.65 5937 5935 C2 SLES 1 38.6809 -11.637 -2.08273 CC32A 5931 5936 5937 5938 -0.11 5938 5936 H2A SLES 1 38.4876 -11.8959 -1.00443 HCA2 5935 0 0 0 0.09 5939 5937 H2B SLES 1 38.7079 -10.5171 -2.18932 HCA2 5935 0 0 0 0.09 5940 5938 C1 SLES 1 37.5148 -12.2398 -3.00056 CC32A 5935 5939 5940 5941 -0.01 5941 5939 H1B SLES 1 37.5423 -13.3533 -2.9658 HCA2 5938 0 0 0 0.09 5942 5940 H1A SLES 1 37.6538 -11.9098 -4.05644 HCA2 5938 0 0 0 0.09 5943 5941 O1 SLES 1 36.1026 -11.9308 -2.70347 OC30A 5938 5942 0 0 -0.34 5944 5942 C2 SLES 1 35.8563 -10.789 -1.85599 CC32A 5941 5943 5944 5945 -0.01 5945 5943 H2A SLES 1 36.3762 -11.084 -0.923532 HCA2 5942 0 0 0 0.09 5946 5944 H2B SLES 1 36.4448 -9.98748 -2.35659 HCA2 5942 0 0 0 0.09 5947 5945 C1 SLES 1 34.4309 -10.2544 -1.50975 CC32A 5942 5946 5947 5948 -0.01 5948 5946 H1B SLES 1 34.0629 -10.7418 -0.580715 HCA2 5945 0 0 0 0.09 5949 5947 H1A SLES 1 34.4817 -9.16014 -1.34054 HCA2 5945 0 0 0 0.09 5950 5948 O1 SLES 1 33.2672 -10.4502 -2.37593 OC30A 5945 5949 0 0 -0.34 5951 5949 C1 SLES 1 32.2477 -9.38778 -2.29999 CTL2 5948 5950 5951 5952 -0.18 5952 5950 H11 SLES 1 32.5093 -8.74596 -1.43929 HAL2 5949 0 0 0 0.09 5953 5951 H12 SLES 1 32.4486 -8.82686 -3.23609 HAL2 5949 0 0 0 0.09 5954 5952 C2 SLES 1 30.718 -9.77603 -2.2262 CTL2 5949 5953 5954 5955 -0.18 5955 5953 H21 SLES 1 30.624 -10.8848 -2.2032 HAL2 5952 0 0 0 0.09 5956 5954 H22 SLES 1 30.2071 -9.40807 -3.14282 HAL2 5952 0 0 0 0.09 5957 5955 C3 SLES 1 29.989 -9.1614 -0.934226 CTL2 5952 5956 5957 5958 -0.18 5958 5956 H31 SLES 1 29.8478 -9.96826 -0.181019 HAL2 5955 0 0 0 0.09 5959 5957 H32 SLES 1 30.6424 -8.38736 -0.48467 HAL2 5955 0 0 0 0.09 5960 5958 C4 SLES 1 28.58 -8.51567 -1.26608 CTL2 5955 5959 5960 5961 -0.18 5961 5959 H41 SLES 1 27.7798 -9.21975 -0.956228 HAL2 5958 0 0 0 0.09 5962 5960 H42 SLES 1 28.4971 -8.36498 -2.36402 HAL2 5958 0 0 0 0.09 5963 5961 C5 SLES 1 28.3574 -7.11656 -0.532788 CTL2 5958 5962 5963 5964 -0.18 5964 5962 H51 SLES 1 29.0801 -7.02837 0.308267 HAL2 5961 0 0 0 0.09 5965 5963 H52 SLES 1 28.5675 -6.2925 -1.25231 HAL2 5961 0 0 0 0.09 5966 5964 C6 SLES 1 26.8964 -6.9445 0.0305558 CTL2 5961 5965 5966 5967 -0.18 5967 5965 H61 SLES 1 26.7686 -7.60703 0.915869 HAL2 5964 0 0 0 0.09 5968 5966 H62 SLES 1 26.7604 -5.89053 0.368357 HAL2 5964 0 0 0 0.09 5969 5967 C7 SLES 1 25.7968 -7.28602 -1.02417 CTL2 5964 5968 5969 5970 -0.18 5970 5968 H71 SLES 1 25.6615 -8.38963 -1.06284 HAL2 5967 0 0 0 0.09 5971 5969 H72 SLES 1 26.137 -6.94624 -2.02773 HAL2 5967 0 0 0 0.09 5972 5970 C8 SLES 1 24.4344 -6.62308 -0.701873 CTL2 5967 5971 5972 5973 -0.18 5973 5971 H81 SLES 1 24.2013 -6.77553 0.376946 HAL2 5970 0 0 0 0.09 5974 5972 H82 SLES 1 24.5103 -5.52721 -0.886014 HAL2 5970 0 0 0 0.09 5975 5973 C9 SLES 1 23.2782 -7.20111 -1.55603 CTL2 5970 5974 5975 5976 -0.18 5976 5974 H91 SLES 1 23.2221 -8.30152 -1.39391 HAL2 5973 0 0 0 0.09 5977 5975 H92 SLES 1 23.4987 -7.02345 -2.63275 HAL2 5973 0 0 0 0.09 5978 5976 C10 SLES 1 21.9087 -6.57004 -1.21047 CTL2 5973 5977 5978 5979 -0.18 5979 5977 H10 SLES 1 21.6771 -6.76783 -0.139007 HAL2 5976 0 0 0 0.09 5980 5978 H10 SLES 1 21.9706 -5.46712 -1.35109 HAL2 5976 0 0 0 0.09 5981 5979 C11 SLES 1 20.7582 -7.1291 -2.08897 CTL2 5976 5980 5981 5982 -0.18 5982 5980 H11 SLES 1 20.6959 -8.23133 -1.93959 HAL2 5979 0 0 0 0.09 5983 5981 H11 SLES 1 21.0028 -6.94499 -3.16005 HAL2 5979 0 0 0 0.09 5984 5982 C12 SLES 1 19.3738 -6.50363 -1.77791 CTL3 5979 5983 5984 5985 -0.27 5985 5983 H12 SLES 1 18.6542 -7.2928 -1.46678 HAL3 5982 0 0 0 0.09 5986 5984 H12 SLES 1 18.97 -5.99108 -2.6788 HAL3 5982 0 0 0 0.09 5987 5985 H12 SLES 1 19.4609 -5.75972 -0.956242 HAL3 5982 0 0 0 0.09 5988 5986 NA SLES 1 35.52 -25.7909 -5.02373 NA 0 0 0 0 1 5989 5987 S SLES 1 35.4605 -24.0039 -1.83726 SL 5988 5989 5990 5991 1.33 5990 5988 OS1 SLES 1 34.3178 -23.8179 -3.04844 OSL 5987 5992 0 0 -0.28 5991 5989 OS2 SLES 1 35.4576 -25.4088 -1.48541 O2L 5987 0 0 0 -0.65 5992 5990 OS3 SLES 1 36.7339 -23.6467 -2.42663 O2L 5987 0 0 0 -0.65 5993 5991 OS4 SLES 1 35.2198 -23.1961 -0.652396 O2L 5987 0 0 0 -0.65 5994 5992 C2 SLES 1 33.176 -22.9952 -2.55885 CC32A 5988 5993 5994 5995 -0.11 5995 5993 H2A SLES 1 32.7347 -23.4438 -1.62548 HCA2 5992 0 0 0 0.09 5996 5994 H2B SLES 1 33.5553 -21.9625 -2.32254 HCA2 5992 0 0 0 0.09 5997 5995 C1 SLES 1 32.0552 -22.9118 -3.70018 CC32A 5992 5996 5997 5998 -0.01 5998 5996 H1B SLES 1 31.7411 -23.9384 -3.99878 HCA2 5995 0 0 0 0.09 5999 5997 H1A SLES 1 32.463 -22.3863 -4.59501 HCA2 5995 0 0 0 0.09 6000 5998 O1 SLES 1 30.7719 -22.2344 -3.43123 OC30A 5995 5999 0 0 -0.34 6001 5999 C2 SLES 1 30.7402 -21.3369 -2.30154 CC32A 5998 6000 6001 6002 -0.01 6002 6000 H2A SLES 1 30.9824 -22.0202 -1.46404 HCA2 5999 0 0 0 0.09 6003 6001 H2B SLES 1 31.6177 -20.6792 -2.49314 HCA2 5999 0 0 0 0.09 6004 6002 C1 SLES 1 29.5039 -20.4635 -1.91924 CC32A 5999 6003 6004 6005 -0.01 6005 6003 H1B SLES 1 28.8553 -21.0217 -1.20944 HCA2 6002 0 0 0 0.09 6006 6004 H1A SLES 1 29.8513 -19.5334 -1.42652 HCA2 6002 0 0 0 0.09 6007 6005 O1 SLES 1 28.4988 -20.0257 -2.88926 OC30A 6002 6006 0 0 -0.34 6008 6006 C1 SLES 1 27.8476 -18.7407 -2.5753 CTL2 6005 6007 6008 6009 -0.18 6009 6007 H11 SLES 1 28.1405 -18.4701 -1.54467 HAL2 6006 0 0 0 0.09 6010 6008 H12 SLES 1 28.3626 -18.0579 -3.28235 HAL2 6006 0 0 0 0.09 6011 6009 C2 SLES 1 26.2825 -18.5974 -2.73656 CTL2 6006 6010 6011 6012 -0.18 6012 6010 H21 SLES 1 25.8577 -19.576 -3.05409 HAL2 6009 0 0 0 0.09 6013 6011 H22 SLES 1 26.068 -17.8553 -3.53645 HAL2 6009 0 0 0 0.09 6014 6012 C3 SLES 1 25.5643 -18.1303 -1.37844 CTL2 6009 6013 6014 6015 -0.18 6015 6013 H31 SLES 1 25.0625 -19.0085 -0.914554 HAL2 6012 0 0 0 0.09 6016 6014 H32 SLES 1 26.3342 -17.7652 -0.669733 HAL2 6012 0 0 0 0.09 6017 6015 C4 SLES 1 24.4913 -16.9863 -1.6065 CTL2 6012 6016 6017 6018 -0.18 6018 6016 H41 SLES 1 23.4764 -17.4352 -1.58304 HAL2 6015 0 0 0 0.09 6019 6017 H42 SLES 1 24.6441 -16.5378 -2.61177 HAL2 6015 0 0 0 0.09 6020 6018 C5 SLES 1 24.5783 -15.8342 -0.5065 CTL2 6015 6019 6020 6021 -0.18 6021 6019 H51 SLES 1 25.1413 -16.2148 0.374189 HAL2 6018 0 0 0 0.09 6022 6020 H52 SLES 1 25.1443 -14.9723 -0.928005 HAL2 6018 0 0 0 0.09 6023 6021 C6 SLES 1 23.1632 -15.3334 -0.0290594 CTL2 6018 6022 6023 6024 -0.18 6024 6022 H61 SLES 1 22.6949 -16.1195 0.60473 HAL2 6021 0 0 0 0.09 6025 6023 H62 SLES 1 23.2947 -14.4206 0.597876 HAL2 6021 0 0 0 0.09 6026 6024 C7 SLES 1 22.2064 -15.0002 -1.21724 CTL2 6021 6025 6026 6027 -0.18 6027 6025 H71 SLES 1 21.7547 -15.9442 -1.59498 HAL2 6024 0 0 0 0.09 6028 6026 H72 SLES 1 22.7972 -14.5471 -2.04425 HAL2 6024 0 0 0 0.09 6029 6027 C8 SLES 1 21.0717 -14.0255 -0.814515 CTL2 6024 6028 6029 6030 -0.18 6030 6028 H81 SLES 1 20.6251 -14.3645 0.14828 HAL2 6027 0 0 0 0.09 6031 6029 H82 SLES 1 21.503 -13.0109 -0.655471 HAL2 6027 0 0 0 0.09 6032 6030 C9 SLES 1 19.957 -13.9395 -1.88708 CTL2 6027 6031 6032 6033 -0.18 6033 6031 H91 SLES 1 19.5467 -14.9591 -2.06695 HAL2 6030 0 0 0 0.09 6034 6032 H92 SLES 1 20.3991 -13.574 -2.84128 HAL2 6030 0 0 0 0.09 6035 6033 C10 SLES 1 18.8022 -12.9973 -1.47232 CTL2 6030 6034 6035 6036 -0.18 6036 6034 H10 SLES 1 18.3446 -13.3759 -0.53 HAL2 6033 0 0 0 0.09 6037 6035 H10 SLES 1 19.2151 -11.9829 -1.27083 HAL2 6033 0 0 0 0.09 6038 6036 C11 SLES 1 17.7026 -12.8897 -2.56193 CTL2 6033 6037 6038 6039 -0.18 6039 6037 H11 SLES 1 17.2882 -13.9056 -2.75491 HAL2 6036 0 0 0 0.09 6040 6038 H11 SLES 1 18.1683 -12.5279 -3.507 HAL2 6036 0 0 0 0.09 6041 6039 C12 SLES 1 16.538 -11.9386 -2.18277 CTL3 6036 6040 6041 6042 -0.27 6042 6040 H12 SLES 1 15.5731 -12.4921 -2.17753 HAL3 6039 0 0 0 0.09 6043 6041 H12 SLES 1 16.4648 -11.1056 -2.91632 HAL3 6039 0 0 0 0.09 6044 6042 H12 SLES 1 16.7043 -11.5069 -1.1718 HAL3 6039 0 0 0 0.09 6045 6043 NA SLES 1 26.3667 -34.9881 -5.71907 NA 0 0 0 0 1 6046 6044 S SLES 1 26.075 -33.9431 -2.23006 SL 6045 6046 6047 6048 1.33 6047 6045 OS1 SLES 1 25.3663 -33.143 -3.52036 OSL 6044 6049 0 0 -0.28 6048 6046 OS2 SLES 1 25.5702 -35.3001 -2.26395 O2L 6044 0 0 0 -0.65 6049 6047 OS3 SLES 1 27.4997 -33.9413 -2.48853 O2L 6044 0 0 0 -0.65 6050 6048 OS4 SLES 1 25.8072 -33.3473 -0.930937 O2L 6044 0 0 0 -0.65 6051 6049 C2 SLES 1 24.4377 -32.0875 -3.02614 CC32A 6045 6050 6051 6052 -0.11 6052 6050 H2A SLES 1 23.6719 -32.5275 -2.3282 HCA2 6049 0 0 0 0.09 6053 6051 H2B SLES 1 25.0381 -31.3161 -2.46872 HCA2 6049 0 0 0 0.09 6054 6052 C1 SLES 1 23.7019 -31.4028 -4.2733 CC32A 6049 6053 6054 6055 -0.01 6055 6053 H1B SLES 1 23.1786 -32.1791 -4.87768 HCA2 6052 0 0 0 0.09 6056 6054 H1A SLES 1 24.4504 -30.8882 -4.91992 HCA2 6052 0 0 0 0.09 6057 6055 O1 SLES 1 22.6527 -30.3892 -4.05013 OC30A 6052 6056 0 0 -0.34 6058 6056 C2 SLES 1 22.6179 -29.7727 -2.74579 CC32A 6055 6057 6058 6059 -0.01 6059 6057 H2A SLES 1 22.4369 -30.6457 -2.0886 HCA2 6056 0 0 0 0.09 6060 6058 H2B SLES 1 23.6702 -29.4351 -2.61203 HCA2 6056 0 0 0 0.09 6061 6059 C1 SLES 1 21.643 -28.6173 -2.35579 CC32A 6056 6060 6061 6062 -0.01 6062 6060 H1B SLES 1 20.7069 -29.043 -1.93313 HCA2 6059 0 0 0 0.09 6063 6061 H1A SLES 1 22.1216 -27.9787 -1.58662 HCA2 6059 0 0 0 0.09 6064 6062 O1 SLES 1 21.0781 -27.6803 -3.32823 OC30A 6059 6063 0 0 -0.34 6065 6063 C1 SLES 1 20.7825 -26.336 -2.79958 CTL2 6062 6064 6065 6066 -0.18 6066 6064 H11 SLES 1 20.8852 -26.3881 -1.70053 HAL2 6063 0 0 0 0.09 6067 6065 H12 SLES 1 21.6315 -25.7503 -3.20885 HAL2 6063 0 0 0 0.09 6068 6066 C2 SLES 1 19.4178 -25.6322 -3.17169 CTL2 6063 6067 6068 6069 -0.18 6069 6067 H21 SLES 1 18.8111 -26.3224 -3.7996 HAL2 6066 0 0 0 0.09 6070 6068 H22 SLES 1 19.6328 -24.7219 -3.77315 HAL2 6066 0 0 0 0.09 6071 6069 C3 SLES 1 18.5659 -25.2177 -1.8752 CTL2 6066 6070 6071 6072 -0.18 6072 6070 H31 SLES 1 17.7295 -25.9403 -1.74625 HAL2 6069 0 0 0 0.09 6073 6071 H32 SLES 1 19.215 -25.2857 -0.979469 HAL2 6069 0 0 0 0.09 6074 6072 C4 SLES 1 17.9693 -23.7522 -1.96807 CTL2 6069 6073 6074 6075 -0.18 6075 6073 H41 SLES 1 16.8925 -23.8182 -2.22955 HAL2 6072 0 0 0 0.09 6076 6074 H42 SLES 1 18.4859 -23.1988 -2.78166 HAL2 6072 0 0 0 0.09 6077 6075 C5 SLES 1 18.127 -22.9373 -0.60582 CTL2 6072 6076 6077 6078 -0.18 6078 6076 H51 SLES 1 18.3219 -23.6517 0.224246 HAL2 6075 0 0 0 0.09 6079 6077 H52 SLES 1 19.0076 -22.26 -0.688225 HAL2 6075 0 0 0 0.09 6080 6078 C6 SLES 1 16.8533 -22.0805 -0.252217 CTL2 6075 6079 6080 6081 -0.18 6081 6079 H61 SLES 1 16.0343 -22.7631 0.0679284 HAL2 6078 0 0 0 0.09 6082 6080 H62 SLES 1 17.0949 -21.4092 0.604711 HAL2 6078 0 0 0 0.09 6083 6081 C7 SLES 1 16.3544 -21.2141 -1.45165 CTL2 6078 6082 6083 6084 -0.18 6084 6082 H71 SLES 1 15.7476 -21.8516 -2.13216 HAL2 6081 0 0 0 0.09 6085 6083 H72 SLES 1 17.2341 -20.8422 -2.02276 HAL2 6081 0 0 0 0.09 6086 6084 C8 SLES 1 15.4986 -20.0048 -0.999053 CTL2 6081 6085 6086 6087 -0.18 6087 6085 H81 SLES 1 14.7533 -20.3479 -0.245296 HAL2 6084 0 0 0 0.09 6088 6086 H82 SLES 1 16.1602 -19.253 -0.511382 HAL2 6084 0 0 0 0.09 6089 6087 C9 SLES 1 14.7526 -19.333 -2.17912 CTL2 6084 6088 6089 6090 -0.18 6090 6088 H91 SLES 1 14.1139 -20.0926 -2.68449 HAL2 6087 0 0 0 0.09 6091 6089 H92 SLES 1 15.4995 -18.9656 -2.9185 HAL2 6087 0 0 0 0.09 6092 6090 C10 SLES 1 13.8656 -18.1489 -1.72688 CTL2 6087 6091 6092 6093 -0.18 6093 6091 H10 SLES 1 13.1033 -18.5206 -1.00479 HAL2 6090 0 0 0 0.09 6094 6092 H10 SLES 1 14.4999 -17.3992 -1.2019 HAL2 6090 0 0 0 0.09 6095 6093 C11 SLES 1 13.1441 -17.4592 -2.91503 CTL2 6090 6094 6095 6096 -0.18 6096 6094 H11 SLES 1 12.5058 -18.2115 -3.43259 HAL2 6093 0 0 0 0.09 6097 6095 H11 SLES 1 13.9096 -17.1052 -3.64284 HAL2 6093 0 0 0 0.09 6098 6096 C12 SLES 1 12.2593 -16.2567 -2.49595 CTL3 6093 6097 6098 6099 -0.27 6099 6097 H12 SLES 1 11.2021 -16.4324 -2.79394 HAL3 6096 0 0 0 0.09 6100 6098 H12 SLES 1 12.6158 -15.3247 -2.98737 HAL3 6096 0 0 0 0.09 6101 6099 H12 SLES 1 12.2976 -16.1133 -1.39409 HAL3 6096 0 0 0 0.09 6102 6100 NA SLES 1 14.9747 -41.1076 -6.16487 NA 0 0 0 0 1 6103 6101 S SLES 1 14.0185 -40.4124 -2.70757 SL 6102 6103 6104 6105 1.33 6104 6102 OS1 SLES 1 13.9907 -39.2811 -3.94322 OSL 6101 6106 0 0 -0.28 6105 6103 OS2 SLES 1 13.1581 -41.4985 -3.12892 O2L 6101 0 0 0 -0.65 6106 6104 OS3 SLES 1 15.3873 -40.8757 -2.61635 O2L 6101 0 0 0 -0.65 6107 6105 OS4 SLES 1 13.5806 -39.9059 -1.4168 O2L 6101 0 0 0 -0.65 6108 6106 C2 SLES 1 13.3251 -38.03 -3.48274 CC32A 6102 6107 6108 6109 -0.11 6109 6107 H2A SLES 1 12.2945 -38.2509 -3.08739 HCA2 6106 0 0 0 0.09 6110 6108 H2B SLES 1 13.9432 -37.5796 -2.65731 HCA2 6106 0 0 0 0.09 6111 6109 C1 SLES 1 13.2253 -37.0015 -4.70669 CC32A 6106 6110 6111 6112 -0.01 6112 6110 H1B SLES 1 12.6893 -37.4781 -5.55955 HCA2 6109 0 0 0 0.09 6113 6111 H1A SLES 1 14.2479 -36.7107 -5.0425 HCA2 6109 0 0 0 0.09 6114 6112 O1 SLES 1 12.5158 -35.7182 -4.54086 OC30A 6109 6113 0 0 -0.34 6115 6113 C2 SLES 1 12.2942 -35.2735 -3.18594 CC32A 6112 6114 6115 6116 -0.01 6116 6114 H2A SLES 1 11.675 -36.096 -2.77723 HCA2 6113 0 0 0 0.09 6117 6115 H2B SLES 1 13.3135 -35.3377 -2.74288 HCA2 6113 0 0 0 0.09 6118 6116 C1 SLES 1 11.647 -33.9019 -2.81568 CC32A 6113 6117 6118 6119 -0.01 6119 6117 H1B SLES 1 10.5457 -34.0206 -2.71953 HCA2 6116 0 0 0 0.09 6120 6118 H1A SLES 1 12.0531 -33.5561 -1.84401 HCA2 6116 0 0 0 0.09 6121 6119 O1 SLES 1 11.6995 -32.7274 -3.68777 OC30A 6116 6120 0 0 -0.34 6122 6120 C1 SLES 1 11.6864 -31.4299 -2.98752 CTL2 6119 6121 6122 6123 -0.18 6123 6121 H11 SLES 1 11.4461 -31.6336 -1.92829 HAL2 6120 0 0 0 0.09 6124 6122 H12 SLES 1 12.7532 -31.1335 -3.0597 HAL2 6120 0 0 0 0.09 6125 6123 C2 SLES 1 10.7684 -30.2613 -3.52404 CTL2 6120 6124 6125 6126 -0.18 6126 6124 H21 SLES 1 10.1895 -30.6262 -4.40188 HAL2 6123 0 0 0 0.09 6127 6125 H22 SLES 1 11.4137 -29.422 -3.8643 HAL2 6123 0 0 0 0.09 6128 6126 C3 SLES 1 9.74595 -29.7212 -2.40985 CTL2 6123 6127 6128 6129 -0.18 6129 6127 H31 SLES 1 8.73002 -30.1192 -2.62853 HAL2 6126 0 0 0 0.09 6130 6128 H32 SLES 1 10.0557 -30.1067 -1.41803 HAL2 6126 0 0 0 0.09 6131 6129 C4 SLES 1 9.67585 -28.139 -2.34779 CTL2 6126 6130 6131 6132 -0.18 6132 6130 H41 SLES 1 8.75378 -27.7993 -2.86407 HAL2 6129 0 0 0 0.09 6133 6131 H42 SLES 1 10.548 -27.7135 -2.88949 HAL2 6129 0 0 0 0.09 6134 6132 C5 SLES 1 9.67258 -27.5823 -0.852834 CTL2 6129 6133 6134 6135 -0.18 6135 6133 H51 SLES 1 9.39283 -28.4059 -0.15933 HAL2 6132 0 0 0 0.09 6136 6134 H52 SLES 1 10.7015 -27.247 -0.58844 HAL2 6132 0 0 0 0.09 6137 6135 C6 SLES 1 8.6739 -26.3816 -0.647196 CTL2 6132 6136 6137 6138 -0.18 6138 6136 H61 SLES 1 7.63066 -26.7691 -0.671955 HAL2 6135 0 0 0 0.09 6139 6137 H62 SLES 1 8.84938 -25.9329 0.35844 HAL2 6135 0 0 0 0.09 6140 6138 C7 SLES 1 8.8306 -25.271 -1.73361 CTL2 6135 6139 6140 6141 -0.18 6141 6139 H71 SLES 1 8.28291 -25.5811 -2.65102 HAL2 6138 0 0 0 0.09 6142 6140 H72 SLES 1 9.90726 -25.1669 -1.99497 HAL2 6138 0 0 0 0.09 6143 6141 C8 SLES 1 8.28976 -23.8972 -1.26495 CTL2 6138 6142 6143 6144 -0.18 6144 6142 H81 SLES 1 7.29104 -24.0409 -0.792398 HAL2 6141 0 0 0 0.09 6145 6143 H82 SLES 1 8.97759 -23.4787 -0.495301 HAL2 6141 0 0 0 0.09 6146 6144 C9 SLES 1 8.1574 -22.8846 -2.43005 CTL2 6141 6145 6146 6147 -0.18 6147 6145 H91 SLES 1 7.49304 -23.3164 -3.21269 HAL2 6144 0 0 0 0.09 6148 6146 H92 SLES 1 9.16073 -22.7203 -2.88373 HAL2 6144 0 0 0 0.09 6149 6147 C10 SLES 1 7.58069 -21.5234 -1.97411 CTL2 6144 6148 6149 6150 -0.18 6150 6148 H10 SLES 1 6.56699 -21.6845 -1.5414 HAL2 6147 0 0 0 0.09 6151 6149 H10 SLES 1 8.23236 -21.1014 -1.17583 HAL2 6147 0 0 0 0.09 6152 6150 C11 SLES 1 7.47831 -20.5017 -3.13757 CTL2 6147 6151 6152 6153 -0.18 6153 6151 H11 SLES 1 6.82011 -20.9255 -3.93023 HAL2 6150 0 0 0 0.09 6154 6152 H11 SLES 1 8.49109 -20.3576 -3.57852 HAL2 6150 0 0 0 0.09 6155 6153 C12 SLES 1 6.91872 -19.1205 -2.70899 CTL3 6150 6154 6155 6156 -0.27 6156 6154 H12 SLES 1 5.99166 -18.8859 -3.2772 HAL3 6153 0 0 0 0.09 6157 6155 H12 SLES 1 7.66735 -18.3219 -2.90681 HAL3 6153 0 0 0 0.09 6158 6156 H12 SLES 1 6.67859 -19.12 -1.62342 HAL3 6153 0 0 0 0.09 6159 6157 NA SLES 1 2.25296 -43.6633 -6.36543 NA 0 0 0 0 1 6160 6158 S SLES 1 0.550476 -42.7319 -3.26954 SL 6159 6160 6161 6162 1.33 6161 6159 OS1 SLES 1 1.26647 -41.6416 -4.32112 OSL 6158 6163 0 0 -0.28 6162 6160 OS2 SLES 1 -0.436321 -43.4571 -4.04274 O2L 6158 0 0 0 -0.65 6163 6161 OS3 SLES 1 1.60213 -43.6323 -2.84528 O2L 6158 0 0 0 -0.65 6164 6162 OS4 SLES 1 -0.0791193 -42.1244 -2.10809 O2L 6158 0 0 0 -0.65 6165 6163 C2 SLES 1 0.925617 -40.2453 -3.92788 CC32A 6159 6164 6165 6166 -0.11 6166 6164 H2A SLES 1 -0.190478 -40.1097 -3.87224 HCA2 6163 0 0 0 0.09 6167 6165 H2B SLES 1 1.36839 -40.0417 -2.9136 HCA2 6163 0 0 0 0.09 6168 6166 C1 SLES 1 1.54071 -39.2274 -5.0009 CC32A 6163 6167 6168 6169 -0.01 6169 6167 H1B SLES 1 1.17167 -39.483 -6.02083 HCA2 6166 0 0 0 0.09 6170 6168 H1A SLES 1 2.65359 -39.2954 -4.99402 HCA2 6166 0 0 0 0.09 6171 6169 O1 SLES 1 1.26164 -37.782 -4.8967 OC30A 6166 6170 0 0 -0.34 6172 6170 C2 SLES 1 0.786507 -37.3068 -3.61958 CC32A 6169 6171 6172 6173 -0.01 6173 6171 H2A SLES 1 -0.156238 -37.8766 -3.50362 HCA2 6170 0 0 0 0.09 6174 6172 H2B SLES 1 1.54324 -37.7181 -2.91417 HCA2 6170 0 0 0 0.09 6175 6173 C1 SLES 1 0.528264 -35.8022 -3.29287 CC32A 6170 6174 6175 6176 -0.01 6176 6174 H1B SLES 1 -0.526385 -35.5425 -3.53014 HCA2 6173 0 0 0 0.09 6177 6175 H1A SLES 1 0.702575 -35.6273 -2.21231 HCA2 6173 0 0 0 0.09 6178 6176 O1 SLES 1 1.21789 -34.7032 -3.97065 OC30A 6173 6177 0 0 -0.34 6179 6177 C1 SLES 1 1.40274 -33.4873 -3.15739 CTL2 6176 6178 6179 6180 -0.18 6180 6178 H11 SLES 1 0.795872 -33.6118 -2.2423 HAL2 6177 0 0 0 0.09 6181 6179 H12 SLES 1 2.47572 -33.5684 -2.88647 HAL2 6177 0 0 0 0.09 6182 6180 C2 SLES 1 1.11691 -32.0699 -3.7942 CTL2 6177 6181 6182 6183 -0.18 6183 6181 H21 SLES 1 0.752684 -32.2056 -4.83714 HAL2 6180 0 0 0 0.09 6184 6182 H22 SLES 1 2.06729 -31.494 -3.83564 HAL2 6180 0 0 0 0.09 6185 6183 C3 SLES 1 0.0283781 -31.2307 -2.96396 CTL2 6180 6184 6185 6186 -0.18 6186 6184 H31 SLES 1 -0.941511 -31.2584 -3.50879 HAL2 6183 0 0 0 0.09 6187 6185 H32 SLES 1 -0.122412 -31.7115 -1.97687 HAL2 6183 0 0 0 0.09 6188 6186 C4 SLES 1 0.449595 -29.7191 -2.74085 CTL2 6183 6187 6188 6189 -0.18 6189 6187 H41 SLES 1 -0.109787 -29.0805 -3.45606 HAL2 6186 0 0 0 0.09 6190 6188 H42 SLES 1 1.53384 -29.6066 -2.95719 HAL2 6186 0 0 0 0.09 6191 6189 C5 SLES 1 0.162588 -29.2142 -1.25508 CTL2 6186 6190 6191 6192 -0.18 6192 6190 H51 SLES 1 -0.564026 -29.9037 -0.77129 HAL2 6189 0 0 0 0.09 6193 6191 H52 SLES 1 1.11008 -29.2504 -0.670361 HAL2 6189 0 0 0 0.09 6194 6192 C6 SLES 1 -0.414304 -27.7493 -1.20534 CTL2 6189 6193 6194 6195 -0.18 6195 6193 H61 SLES 1 -1.46515 -27.7605 -1.5723 HAL2 6192 0 0 0 0.09 6196 6194 H62 SLES 1 -0.424452 -27.3999 -0.146426 HAL2 6192 0 0 0 0.09 6197 6195 C7 SLES 1 0.414481 -26.7428 -2.06462 CTL2 6192 6196 6197 6198 -0.18 6198 6196 H71 SLES 1 0.107819 -26.8369 -3.12992 HAL2 6195 0 0 0 0.09 6199 6197 H72 SLES 1 1.49344 -27.0056 -1.99322 HAL2 6195 0 0 0 0.09 6200 6198 C8 SLES 1 0.221971 -25.2734 -1.61364 CTL2 6195 6199 6200 6201 -0.18 6201 6199 H81 SLES 1 -0.864851 -25.077 -1.46649 HAL2 6198 0 0 0 0.09 6202 6200 H82 SLES 1 0.734326 -25.1226 -0.636193 HAL2 6198 0 0 0 0.09 6203 6201 C9 SLES 1 0.78471 -24.2602 -2.64183 CTL2 6198 6202 6203 6204 -0.18 6204 6202 H91 SLES 1 0.293186 -24.4312 -3.62647 HAL2 6201 0 0 0 0.09 6205 6203 H92 SLES 1 1.87639 -24.4391 -2.76732 HAL2 6201 0 0 0 0.09 6206 6204 C10 SLES 1 0.55996 -22.7904 -2.21467 CTL2 6201 6205 6206 6207 -0.18 6207 6205 H10 SLES 1 -0.533529 -22.6048 -2.11172 HAL2 6204 0 0 0 0.09 6208 6206 H10 SLES 1 1.03218 -22.6245 -1.21992 HAL2 6204 0 0 0 0.09 6209 6207 C11 SLES 1 1.15196 -21.7789 -3.23167 CTL2 6204 6208 6209 6210 -0.18 6210 6208 H11 SLES 1 0.671601 -21.9442 -4.22315 HAL2 6207 0 0 0 0.09 6211 6209 H11 SLES 1 2.24177 -21.9801 -3.3447 HAL2 6207 0 0 0 0.09 6212 6210 C12 SLES 1 0.957363 -20.2956 -2.82332 CTL3 6207 6211 6212 6213 -0.27 6213 6211 H12 SLES 1 0.376123 -19.7536 -3.60156 HAL3 6210 0 0 0 0.09 6214 6212 H12 SLES 1 1.94351 -19.7949 -2.70445 HAL3 6210 0 0 0 0.09 6215 6213 H12 SLES 1 0.407408 -20.2285 -1.85939 HAL3 6210 0 0 0 0.09 6216 6214 NA SLES 1 -10.7882 -42.372 -6.34924 NA 0 0 0 0 1 6217 6215 S SLES 1 -12.916 -40.6807 -3.90738 SL 6216 6217 6218 6219 1.33 6218 6216 OS1 SLES 1 -11.5968 -39.9759 -4.66259 OSL 6215 6220 0 0 -0.28 6219 6217 OS2 SLES 1 -13.8121 -41.1054 -4.96296 O2L 6215 0 0 0 -0.65 6220 6218 OS3 SLES 1 -12.4053 -41.8366 -3.20052 O2L 6215 0 0 0 -0.65 6221 6219 OS4 SLES 1 -13.6193 -39.8062 -2.98265 O2L 6215 0 0 0 -0.65 6222 6220 C2 SLES 1 -11.5484 -38.5173 -4.36186 CC32A 6216 6221 6222 6223 -0.11 6223 6221 H2A SLES 1 -12.5166 -38.0202 -4.64937 HCA2 6220 0 0 0 0.09 6224 6222 H2B SLES 1 -11.3856 -38.3857 -3.25621 HCA2 6220 0 0 0 0.09 6225 6223 C1 SLES 1 -10.3374 -37.8495 -5.17017 CC32A 6220 6224 6225 6226 -0.01 6226 6224 H1B SLES 1 -10.4502 -38.0545 -6.25968 HCA2 6223 0 0 0 0.09 6227 6225 H1A SLES 1 -9.36791 -38.2765 -4.82264 HCA2 6223 0 0 0 0.09 6228 6226 O1 SLES 1 -10.1314 -36.3889 -5.12424 OC30A 6223 6227 0 0 -0.34 6229 6227 C2 SLES 1 -10.7755 -35.6798 -4.04494 CC32A 6226 6228 6229 6230 -0.01 6230 6228 H2A SLES 1 -11.8441 -35.8984 -4.23768 HCA2 6227 0 0 0 0.09 6231 6229 H2B SLES 1 -10.4473 -36.2554 -3.15036 HCA2 6227 0 0 0 0.09 6232 6230 C1 SLES 1 -10.5971 -34.1517 -3.77962 CC32A 6227 6231 6232 6233 -0.01 6233 6231 H1B SLES 1 -11.3816 -33.5823 -4.32402 HCA2 6230 0 0 0 0.09 6234 6232 H1A SLES 1 -10.7035 -33.9539 -2.69419 HCA2 6230 0 0 0 0.09 6235 6233 O1 SLES 1 -9.40961 -33.3989 -4.18719 OC30A 6230 6234 0 0 -0.34 6236 6234 C1 SLES 1 -9.07693 -32.2469 -3.32922 CTL2 6233 6235 6236 6237 -0.18 6237 6235 H11 SLES 1 -9.93303 -32.0895 -2.6484 HAL2 6234 0 0 0 0.09 6238 6236 H12 SLES 1 -8.22594 -32.6513 -2.74312 HAL2 6234 0 0 0 0.09 6239 6237 C2 SLES 1 -8.66617 -30.8722 -3.99085 CTL2 6234 6238 6239 6240 -0.18 6240 6238 H21 SLES 1 -8.72739 -30.9678 -5.09806 HAL2 6237 0 0 0 0.09 6241 6239 H22 SLES 1 -7.61083 -30.6441 -3.72474 HAL2 6237 0 0 0 0.09 6242 6240 C3 SLES 1 -9.60315 -29.6572 -3.51718 CTL2 6237 6241 6242 6243 -0.18 6243 6241 H31 SLES 1 -10.3173 -29.4118 -4.33454 HAL2 6240 0 0 0 0.09 6244 6242 H32 SLES 1 -10.193 -29.9783 -2.63556 HAL2 6240 0 0 0 0.09 6245 6243 C4 SLES 1 -8.78439 -28.3532 -3.14112 CTL2 6240 6244 6245 6246 -0.18 6246 6244 H41 SLES 1 -8.85686 -27.6289 -3.97913 HAL2 6243 0 0 0 0.09 6247 6245 H42 SLES 1 -7.71341 -28.6197 -3.01064 HAL2 6243 0 0 0 0.09 6248 6246 C5 SLES 1 -9.31245 -27.6603 -1.80477 CTL2 6243 6247 6248 6249 -0.18 6249 6247 H51 SLES 1 -10.3375 -28.0316 -1.58383 HAL2 6246 0 0 0 0.09 6250 6248 H52 SLES 1 -8.65171 -27.9553 -0.9578 HAL2 6246 0 0 0 0.09 6251 6249 C6 SLES 1 -9.34976 -26.0885 -1.90187 CTL2 6246 6250 6251 6252 -0.18 6252 6250 H61 SLES 1 -10.1835 -25.7862 -2.5746 HAL2 6249 0 0 0 0.09 6253 6251 H62 SLES 1 -9.5559 -25.668 -0.889859 HAL2 6249 0 0 0 0.09 6254 6252 C7 SLES 1 -8.01516 -25.4835 -2.44136 CTL2 6249 6253 6254 6255 -0.18 6255 6253 H71 SLES 1 -8.00434 -25.5607 -3.55117 HAL2 6252 0 0 0 0.09 6256 6254 H72 SLES 1 -7.1607 -26.0776 -2.04731 HAL2 6252 0 0 0 0.09 6257 6255 C8 SLES 1 -7.82674 -23.9997 -2.03839 CTL2 6252 6256 6257 6258 -0.18 6258 6256 H81 SLES 1 -8.77553 -23.4473 -2.22848 HAL2 6255 0 0 0 0.09 6259 6257 H82 SLES 1 -7.60863 -23.9437 -0.947553 HAL2 6255 0 0 0 0.09 6260 6258 C9 SLES 1 -6.67745 -23.3155 -2.82028 CTL2 6255 6259 6260 6261 -0.18 6261 6259 H91 SLES 1 -6.88163 -23.3979 -3.912 HAL2 6258 0 0 0 0.09 6262 6260 H92 SLES 1 -5.72485 -23.8511 -2.6077 HAL2 6258 0 0 0 0.09 6263 6261 C10 SLES 1 -6.5106 -21.8227 -2.44988 CTL2 6258 6262 6263 6264 -0.18 6264 6262 H10 SLES 1 -7.45584 -21.282 -2.6843 HAL2 6261 0 0 0 0.09 6265 6263 H10 SLES 1 -6.3284 -21.738 -1.35459 HAL2 6261 0 0 0 0.09 6266 6264 C11 SLES 1 -5.33903 -21.1487 -3.21215 CTL2 6261 6265 6266 6267 -0.18 6267 6265 H11 SLES 1 -5.52932 -21.23 -4.30682 HAL2 6264 0 0 0 0.09 6268 6266 H11 SLES 1 -4.39933 -21.7037 -2.9888 HAL2 6264 0 0 0 0.09 6269 6267 C12 SLES 1 -5.13515 -19.6547 -2.85006 CTL3 6264 6268 6269 6270 -0.27 6270 6268 H12 SLES 1 -5.24088 -19.0193 -3.75694 HAL3 6267 0 0 0 0.09 6271 6269 H12 SLES 1 -4.12078 -19.4957 -2.42216 HAL3 6267 0 0 0 0.09 6272 6270 H12 SLES 1 -5.89039 -19.3314 -2.10092 HAL3 6267 0 0 0 0.09 6273 6271 NA SLES 1 -23.0429 -37.1898 -6.16623 NA 0 0 0 0 1 6274 6272 S SLES 1 -24.986 -34.5182 -4.60496 SL 6273 6274 6275 6276 1.33 6275 6273 OS1 SLES 1 -23.3566 -34.4088 -4.97974 OSL 6272 6277 0 0 -0.28 6276 6274 OS2 SLES 1 -25.6717 -34.8115 -5.84642 O2L 6272 0 0 0 -0.65 6277 6275 OS3 SLES 1 -25.1157 -35.6369 -3.69482 O2L 6272 0 0 0 -0.65 6278 6276 OS4 SLES 1 -25.5469 -33.3207 -4.00014 O2L 6272 0 0 0 -0.65 6279 6277 C2 SLES 1 -22.875 -33.0121 -4.78609 CC32A 6273 6278 6279 6280 -0.11 6280 6278 H2A SLES 1 -23.497 -32.2908 -5.38612 HCA2 6277 0 0 0 0.09 6281 6279 H2B SLES 1 -22.9654 -32.7512 -3.69522 HCA2 6277 0 0 0 0.09 6282 6280 C1 SLES 1 -21.3424 -32.9121 -5.24108 CC32A 6277 6281 6282 6283 -0.01 6283 6281 H1B SLES 1 -21.2371 -33.2547 -6.29621 HCA2 6280 0 0 0 0.09 6284 6282 H1A SLES 1 -20.7099 -33.5582 -4.5887 HCA2 6280 0 0 0 0.09 6285 6283 O1 SLES 1 -20.653 -31.6073 -5.24272 OC30A 6280 6284 0 0 -0.34 6286 6284 C2 SLES 1 -21.2588 -30.5562 -4.46103 CC32A 6283 6285 6286 6287 -0.01 6287 6285 H2A SLES 1 -22.2481 -30.4544 -4.94853 HCA2 6284 0 0 0 0.09 6288 6286 H2B SLES 1 -21.3959 -31.0436 -3.46953 HCA2 6284 0 0 0 0.09 6289 6287 C1 SLES 1 -20.6266 -29.142 -4.26717 CC32A 6284 6288 6289 6290 -0.01 6290 6288 H1B SLES 1 -20.9919 -28.4557 -5.06183 HCA2 6287 0 0 0 0.09 6291 6289 H1A SLES 1 -20.9306 -28.7373 -3.28107 HCA2 6287 0 0 0 0.09 6292 6290 O1 SLES 1 -19.1878 -28.8865 -4.35426 OC30A 6287 6291 0 0 -0.34 6293 6291 C1 SLES 1 -18.7015 -27.7701 -3.52289 CTL2 6290 6292 6293 6294 -0.18 6294 6292 H11 SLES 1 -19.5907 -27.2349 -3.14332 HAL2 6291 0 0 0 0.09 6295 6293 H12 SLES 1 -18.2287 -28.3165 -2.68074 HAL2 6291 0 0 0 0.09 6296 6294 C2 SLES 1 -17.6769 -26.7318 -4.12994 CTL2 6291 6295 6296 6297 -0.18 6297 6295 H21 SLES 1 -17.4821 -26.9918 -5.1945 HAL2 6294 0 0 0 0.09 6298 6296 H22 SLES 1 -16.715 -26.808 -3.57732 HAL2 6294 0 0 0 0.09 6299 6297 C3 SLES 1 -18.2124 -25.2201 -4.04917 CTL2 6294 6298 6299 6300 -0.18 6300 6298 H31 SLES 1 -18.5589 -24.9051 -5.05864 HAL2 6297 0 0 0 0.09 6301 6299 H32 SLES 1 -19.0824 -25.1811 -3.36374 HAL2 6297 0 0 0 0.09 6302 6300 C4 SLES 1 -17.1115 -24.1989 -3.54171 CTL2 6297 6301 6302 6303 -0.18 6303 6301 H41 SLES 1 -16.7063 -23.6443 -4.41366 HAL2 6300 0 0 0 0.09 6304 6302 H42 SLES 1 -16.2754 -24.7647 -3.07717 HAL2 6300 0 0 0 0.09 6305 6303 C5 SLES 1 -17.6844 -23.1557 -2.47954 CTL2 6300 6304 6305 6306 -0.18 6306 6304 H51 SLES 1 -18.7945 -23.139 -2.54929 HAL2 6303 0 0 0 0.09 6307 6305 H52 SLES 1 -17.4111 -23.4949 -1.45428 HAL2 6303 0 0 0 0.09 6308 6306 C6 SLES 1 -17.1381 -21.6945 -2.69829 CTL2 6303 6307 6308 6309 -0.18 6309 6307 H61 SLES 1 -17.6092 -21.2637 -3.61019 HAL2 6306 0 0 0 0.09 6310 6308 H62 SLES 1 -17.4344 -21.0631 -1.82823 HAL2 6306 0 0 0 0.09 6311 6309 C7 SLES 1 -15.5853 -21.6461 -2.85595 CTL2 6306 6310 6311 6312 -0.18 6312 6310 H71 SLES 1 -15.3185 -21.9121 -3.90273 HAL2 6309 0 0 0 0.09 6313 6311 H72 SLES 1 -15.1272 -22.4035 -2.18154 HAL2 6309 0 0 0 0.09 6314 6312 C8 SLES 1 -14.995 -20.2526 -2.52493 CTL2 6309 6313 6314 6315 -0.18 6315 6313 H81 SLES 1 -15.605 -19.4693 -3.03052 HAL2 6312 0 0 0 0.09 6316 6314 H82 SLES 1 -15.0585 -20.0823 -1.42604 HAL2 6312 0 0 0 0.09 6317 6315 C9 SLES 1 -13.519 -20.1133 -2.97448 CTL2 6312 6316 6317 6318 -0.18 6318 6316 H91 SLES 1 -13.4521 -20.3129 -4.06811 HAL2 6315 0 0 0 0.09 6319 6317 H92 SLES 1 -12.9054 -20.8784 -2.44758 HAL2 6315 0 0 0 0.09 6320 6318 C10 SLES 1 -12.9366 -18.7103 -2.68158 CTL2 6315 6319 6320 6321 -0.18 6321 6319 H10 SLES 1 -13.5362 -17.9465 -3.22742 HAL2 6318 0 0 0 0.09 6322 6320 H10 SLES 1 -13.0234 -18.5009 -1.59132 HAL2 6318 0 0 0 0.09 6323 6321 C11 SLES 1 -11.4491 -18.584 -3.10504 CTL2 6318 6322 6323 6324 -0.18 6324 6322 H11 SLES 1 -11.3686 -18.7876 -4.19738 HAL2 6321 0 0 0 0.09 6325 6323 H11 SLES 1 -10.8568 -19.3613 -2.57034 HAL2 6321 0 0 0 0.09 6326 6324 C12 SLES 1 -10.8309 -17.1931 -2.80903 CTL3 6321 6325 6326 6327 -0.27 6327 6325 H12 SLES 1 -10.4693 -16.7227 -3.74994 HAL3 6324 0 0 0 0.09 6328 6326 H12 SLES 1 -9.97162 -17.2929 -2.10972 HAL3 6324 0 0 0 0.09 6329 6327 H12 SLES 1 -11.5882 -16.5234 -2.34641 HAL3 6324 0 0 0 0.09 6330 6328 NA SLES 1 -33.3463 -28.3813 -5.88284 NA 0 0 0 0 1 6331 6329 S SLES 1 -34.4459 -24.9394 -5.3402 SL 6330 6331 6332 6333 1.33 6332 6330 OS1 SLES 1 -32.8485 -25.4424 -5.28709 OSL 6329 6334 0 0 -0.28 6333 6331 OS2 SLES 1 -34.9424 -25.2946 -6.65354 O2L 6329 0 0 0 -0.65 6334 6332 OS3 SLES 1 -35.1428 -25.704 -4.32715 O2L 6329 0 0 0 -0.65 6335 6333 OS4 SLES 1 -34.6379 -23.5172 -5.10603 O2L 6329 0 0 0 -0.65 6336 6334 C2 SLES 1 -31.9391 -24.265 -5.20291 CC32A 6330 6335 6336 6337 -0.11 6337 6335 H2A SLES 1 -32.1311 -23.5534 -6.05374 HCA2 6334 0 0 0 0.09 6338 6336 H2B SLES 1 -32.1339 -23.7321 -4.23117 HCA2 6334 0 0 0 0.09 6339 6337 C1 SLES 1 -30.4183 -24.7657 -5.24997 CC32A 6334 6338 6339 6340 -0.01 6340 6338 H1B SLES 1 -30.2463 -25.3696 -6.17055 HCA2 6337 0 0 0 0.09 6341 6339 H1A SLES 1 -30.1994 -25.3989 -4.35876 HCA2 6337 0 0 0 0.09 6342 6340 O1 SLES 1 -29.3156 -23.7854 -5.28217 OC30A 6337 6341 0 0 -0.34 6343 6341 C2 SLES 1 -29.6352 -22.4405 -4.86776 CC32A 6340 6342 6343 6344 -0.01 6344 6342 H2A SLES 1 -30.4084 -22.1545 -5.60751 HCA2 6341 0 0 0 0.09 6345 6343 H2B SLES 1 -30.1253 -22.6037 -3.88156 HCA2 6341 0 0 0 0.09 6346 6344 C1 SLES 1 -28.5821 -21.2944 -4.74671 CC32A 6341 6345 6346 6347 -0.01 6347 6345 H1B SLES 1 -28.5156 -20.7428 -5.70971 HCA2 6344 0 0 0 0.09 6348 6346 H1A SLES 1 -28.8998 -20.5878 -3.95397 HCA2 6344 0 0 0 0.09 6349 6347 O1 SLES 1 -27.1603 -21.5334 -4.49361 OC30A 6344 6348 0 0 -0.34 6350 6348 C1 SLES 1 -26.4693 -20.4598 -3.7561 CTL2 6347 6349 6350 6351 -0.18 6351 6349 H11 SLES 1 -27.1584 -19.5969 -3.71497 HAL2 6348 0 0 0 0.09 6352 6350 H12 SLES 1 -26.396 -20.9052 -2.74243 HAL2 6348 0 0 0 0.09 6353 6351 C2 SLES 1 -25.0426 -19.9767 -4.23311 CTL2 6348 6352 6353 6354 -0.18 6354 6352 H21 SLES 1 -24.7572 -20.5352 -5.15258 HAL2 6351 0 0 0 0.09 6355 6353 H22 SLES 1 -24.2975 -20.2148 -3.44275 HAL2 6351 0 0 0 0.09 6356 6354 C3 SLES 1 -24.998 -18.4015 -4.54169 CTL2 6351 6355 6356 6357 -0.18 6357 6355 H31 SLES 1 -25.0083 -18.2488 -5.64391 HAL2 6354 0 0 0 0.09 6358 6356 H32 SLES 1 -25.9076 -17.9256 -4.12416 HAL2 6354 0 0 0 0.09 6359 6357 C4 SLES 1 -23.7194 -17.6872 -3.9357 CTL2 6354 6358 6359 6360 -0.18 6360 6358 H41 SLES 1 -22.983 -17.5176 -4.74876 HAL2 6357 0 0 0 0.09 6361 6359 H42 SLES 1 -23.25 -18.3564 -3.1828 HAL2 6357 0 0 0 0.09 6362 6360 C5 SLES 1 -24.0651 -16.2916 -3.2446 CTL2 6357 6361 6362 6363 -0.18 6363 6361 H51 SLES 1 -25.0586 -15.9442 -3.60482 HAL2 6360 0 0 0 0.09 6364 6362 H52 SLES 1 -24.1333 -16.4396 -2.14262 HAL2 6360 0 0 0 0.09 6365 6363 C6 SLES 1 -22.995 -15.1757 -3.54619 CTL2 6360 6364 6365 6366 -0.18 6366 6364 H61 SLES 1 -23.0955 -14.8538 -4.60704 HAL2 6363 0 0 0 0.09 6367 6365 H62 SLES 1 -23.2013 -14.2917 -2.89855 HAL2 6363 0 0 0 0.09 6368 6366 C7 SLES 1 -21.5309 -15.6577 -3.29675 CTL2 6363 6367 6368 6369 -0.18 6369 6367 H71 SLES 1 -21.1853 -16.2401 -4.17944 HAL2 6366 0 0 0 0.09 6370 6368 H72 SLES 1 -21.5157 -16.3329 -2.4123 HAL2 6366 0 0 0 0.09 6371 6369 C8 SLES 1 -20.5496 -14.4842 -3.05285 CTL2 6366 6370 6371 6372 -0.18 6372 6370 H81 SLES 1 -20.726 -13.6964 -3.82076 HAL2 6369 0 0 0 0.09 6373 6371 H82 SLES 1 -20.7542 -14.0408 -2.05175 HAL2 6369 0 0 0 0.09 6374 6372 C9 SLES 1 -19.067 -14.9296 -3.11594 CTL2 6369 6373 6374 6375 -0.18 6375 6373 H91 SLES 1 -18.8709 -15.3996 -4.10639 HAL2 6372 0 0 0 0.09 6376 6374 H92 SLES 1 -18.8849 -15.6966 -2.32979 HAL2 6372 0 0 0 0.09 6377 6375 C10 SLES 1 -18.0823 -13.754 -2.91193 CTL2 6372 6376 6377 6378 -0.18 6378 6376 H10 SLES 1 -18.2486 -12.9973 -3.71221 HAL2 6375 0 0 0 0.09 6379 6377 H10 SLES 1 -18.2923 -13.2696 -1.93147 HAL2 6375 0 0 0 0.09 6380 6378 C11 SLES 1 -16.599 -14.2088 -2.94507 CTL2 6375 6379 6380 6381 -0.18 6381 6379 H11 SLES 1 -16.3921 -14.6863 -3.93008 HAL2 6378 0 0 0 0.09 6382 6380 H11 SLES 1 -16.442 -14.9783 -2.15508 HAL2 6378 0 0 0 0.09 6383 6381 C12 SLES 1 -15.5865 -13.0548 -2.72673 CTL3 6378 6382 6383 6384 -0.27 6384 6382 H12 SLES 1 -14.9074 -12.9655 -3.6032 HAL3 6381 0 0 0 0.09 6385 6383 H12 SLES 1 -14.9715 -13.2466 -1.81993 HAL3 6381 0 0 0 0.09 6386 6384 H12 SLES 1 -16.1222 -12.0897 -2.59383 HAL3 6381 0 0 0 0.09 6387 6385 NA SLES 1 -40.5686 -16.5886 -5.57555 NA 0 0 0 0 1 6388 6386 S SLES 1 -40.3931 -12.9751 -6.08726 SL 6387 6388 6389 6390 1.33 6389 6387 OS1 SLES 1 -39.1024 -13.926 -5.60011 OSL 6386 6391 0 0 -0.28 6390 6388 OS2 SLES 1 -40.8448 -13.5167 -7.35222 O2L 6386 0 0 0 -0.65 6391 6389 OS3 SLES 1 -41.4218 -13.1469 -5.0828 O2L 6386 0 0 0 -0.65 6392 6390 OS4 SLES 1 -40.0788 -11.5633 -6.23695 O2L 6386 0 0 0 -0.65 6393 6391 C2 SLES 1 -37.8416 -13.132 -5.61539 CC32A 6387 6392 6393 6394 -0.11 6394 6392 H2A SLES 1 -37.6721 -12.6755 -6.63029 HCA2 6391 0 0 0 0.09 6395 6393 H2B SLES 1 -37.9297 -12.3072 -4.85499 HCA2 6391 0 0 0 0.09 6396 6394 C1 SLES 1 -36.6105 -14.0853 -5.23934 CC32A 6391 6395 6396 6397 -0.01 6397 6395 H1B SLES 1 -36.5746 -14.9519 -5.93894 HCA2 6394 0 0 0 0.09 6398 6396 H1A SLES 1 -36.7308 -14.468 -4.19907 HCA2 6394 0 0 0 0.09 6399 6397 O1 SLES 1 -35.2302 -13.5648 -5.28047 OC30A 6394 6398 0 0 -0.34 6400 6398 C2 SLES 1 -35.0808 -12.1295 -5.26595 CC32A 6397 6399 6400 6401 -0.01 6401 6399 H2A SLES 1 -35.6156 -11.8379 -6.19105 HCA2 6398 0 0 0 0.09 6402 6400 H2B SLES 1 -35.6967 -11.8333 -4.38711 HCA2 6398 0 0 0 0.09 6403 6401 C1 SLES 1 -33.7021 -11.3992 -5.21016 CC32A 6398 6402 6403 6404 -0.01 6404 6402 H1B SLES 1 -33.3398 -11.2024 -6.24265 HCA2 6401 0 0 0 0.09 6405 6403 H1A SLES 1 -33.8223 -10.4303 -4.68534 HCA2 6401 0 0 0 0.09 6406 6404 O1 SLES 1 -32.4989 -11.9977 -4.62977 OC30A 6401 6405 0 0 -0.34 6407 6405 C1 SLES 1 -31.5461 -11.0378 -4.04265 CTL2 6404 6406 6407 6408 -0.18 6408 6406 H11 SLES 1 -31.875 -10.0267 -4.34365 HAL2 6405 0 0 0 0.09 6409 6407 H12 SLES 1 -31.7458 -11.169 -2.95904 HAL2 6405 0 0 0 0.09 6410 6408 C2 SLES 1 -30.0001 -11.1985 -4.32556 CTL2 6405 6409 6410 6411 -0.18 6411 6409 H21 SLES 1 -29.8428 -12.0603 -5.01216 HAL2 6408 0 0 0 0.09 6412 6410 H22 SLES 1 -29.4791 -11.4232 -3.36918 HAL2 6408 0 0 0 0.09 6413 6411 C3 SLES 1 -29.3544 -9.88216 -4.98035 CTL2 6408 6412 6413 6414 -0.18 6414 6412 H31 SLES 1 -29.1935 -10.0608 -6.06685 HAL2 6411 0 0 0 0.09 6415 6413 H32 SLES 1 -30.0673 -9.04 -4.87628 HAL2 6411 0 0 0 0.09 6416 6414 C4 SLES 1 -27.9744 -9.4729 -4.3168 CTL2 6411 6415 6416 6417 -0.18 6417 6415 H41 SLES 1 -27.1462 -9.79213 -4.98335 HAL2 6414 0 0 0 0.09 6418 6416 H42 SLES 1 -27.8614 -10.0086 -3.34972 HAL2 6414 0 0 0 0.09 6419 6417 C5 SLES 1 -27.8596 -7.90329 -4.05616 CTL2 6414 6418 6419 6420 -0.18 6420 6418 H51 SLES 1 -28.6157 -7.37561 -4.67852 HAL2 6417 0 0 0 0.09 6421 6419 H52 SLES 1 -28.0915 -7.69535 -2.9866 HAL2 6417 0 0 0 0.09 6422 6420 C6 SLES 1 -26.4321 -7.32816 -4.39195 CTL2 6417 6421 6422 6423 -0.18 6423 6421 H61 SLES 1 -26.2976 -7.31334 -5.49684 HAL2 6420 0 0 0 0.09 6424 6422 H62 SLES 1 -26.3696 -6.27714 -4.02466 HAL2 6420 0 0 0 0.09 6425 6423 C7 SLES 1 -25.2776 -8.16049 -3.74951 CTL2 6420 6424 6425 6426 -0.18 6426 6424 H71 SLES 1 -25.0772 -9.05247 -4.38351 HAL2 6423 0 0 0 0.09 6427 6425 H72 SLES 1 -25.601 -8.51764 -2.74643 HAL2 6423 0 0 0 0.09 6428 6426 C8 SLES 1 -23.9683 -7.34675 -3.5976 CTL2 6423 6427 6428 6429 -0.18 6429 6427 H81 SLES 1 -23.7653 -6.80252 -4.54841 HAL2 6426 0 0 0 0.09 6430 6428 H82 SLES 1 -24.1011 -6.59108 -2.79017 HAL2 6426 0 0 0 0.09 6431 6429 C9 SLES 1 -22.7509 -8.24258 -3.25741 CTL2 6426 6430 6431 6432 -0.18 6432 6430 H91 SLES 1 -22.6367 -9.01646 -4.05014 HAL2 6429 0 0 0 0.09 6433 6431 H92 SLES 1 -22.9428 -8.76463 -2.29297 HAL2 6429 0 0 0 0.09 6434 6432 C10 SLES 1 -21.4334 -7.43969 -3.14323 CTL2 6429 6433 6434 6435 -0.18 6435 6433 H10 SLES 1 -21.229 -6.93606 -4.11553 HAL2 6432 0 0 0 0.09 6436 6434 H10 SLES 1 -21.5542 -6.65127 -2.36616 HAL2 6432 0 0 0 0.09 6437 6435 C11 SLES 1 -20.2219 -8.33548 -2.77222 CTL2 6432 6436 6437 6438 -0.18 6438 6436 H11 SLES 1 -20.1011 -9.11807 -3.55585 HAL2 6435 0 0 0 0.09 6439 6437 H11 SLES 1 -20.4385 -8.85064 -1.80856 HAL2 6435 0 0 0 0.09 6440 6438 C12 SLES 1 -18.8881 -7.55682 -2.63381 CTL3 6435 6439 6440 6441 -0.27 6441 6439 H12 SLES 1 -18.1355 -7.94843 -3.35323 HAL3 6438 0 0 0 0.09 6442 6440 H12 SLES 1 -18.4829 -7.6643 -1.60345 HAL3 6438 0 0 0 0.09 6443 6441 H12 SLES 1 -19.0474 -6.47615 -2.84093 HAL3 6438 0 0 0 0.09 6444 6442 NA SLES 1 -43.7672 -2.85934 -5.32328 NA 0 0 0 0 1 6445 6443 S SLES 1 -42.3142 0.140986 -6.81904 SL 6444 6445 6446 6447 1.33 6446 6444 OS1 SLES 1 -41.4501 -0.988997 -5.93373 OSL 6443 6448 0 0 -0.28 6447 6445 OS2 SLES 1 -42.9183 -0.578871 -7.92105 O2L 6443 0 0 0 -0.65 6448 6446 OS3 SLES 1 -43.3452 0.642663 -5.93473 O2L 6443 0 0 0 -0.65 6449 6447 OS4 SLES 1 -41.5172 1.24614 -7.3269 O2L 6443 0 0 0 -0.65 6450 6448 C2 SLES 1 -39.9893 -0.710316 -6.027 CC32A 6444 6449 6450 6451 -0.11 6451 6449 H2A SLES 1 -39.66 -0.673283 -7.1028 HCA2 6448 0 0 0 0.09 6452 6450 H2B SLES 1 -39.7848 0.287577 -5.54882 HCA2 6448 0 0 0 0.09 6453 6451 C1 SLES 1 -39.1807 -1.85661 -5.25367 CC32A 6448 6452 6453 6454 -0.01 6454 6452 H1B SLES 1 -39.4494 -2.8555 -5.66818 HCA2 6451 0 0 0 0.09 6455 6453 H1A SLES 1 -39.438 -1.83672 -4.16898 HCA2 6451 0 0 0 0.09 6456 6454 O1 SLES 1 -37.7052 -1.86953 -5.27964 OC30A 6451 6455 0 0 -0.34 6457 6455 C2 SLES 1 -37.0555 -0.637508 -5.65725 CC32A 6454 6456 6457 6458 -0.01 6458 6456 H2A SLES 1 -37.4438 -0.483087 -6.68302 HCA2 6455 0 0 0 0.09 6459 6457 H2B SLES 1 -37.5332 0.103528 -4.97752 HCA2 6455 0 0 0 0.09 6460 6458 C1 SLES 1 -35.5077 -0.433197 -5.65099 CC32A 6455 6459 6460 6461 -0.01 6461 6459 H1B SLES 1 -35.0904 -0.697577 -6.64698 HCA2 6458 0 0 0 0.09 6462 6460 H1A SLES 1 -35.28 0.63121 -5.44175 HCA2 6458 0 0 0 0.09 6463 6461 O1 SLES 1 -34.6009 -1.19144 -4.78757 OC30A 6458 6462 0 0 -0.34 6464 6462 C1 SLES 1 -33.3741 -0.476141 -4.39103 CTL2 6461 6463 6464 6465 -0.18 6465 6463 H11 SLES 1 -33.3194 0.441767 -5.00392 HAL2 6462 0 0 0 0.09 6466 6464 H12 SLES 1 -33.6164 -0.192284 -3.34607 HAL2 6462 0 0 0 0.09 6467 6465 C2 SLES 1 -31.9838 -1.22554 -4.43359 CTL2 6462 6466 6467 6468 -0.18 6468 6466 H21 SLES 1 -32.1374 -2.25687 -4.82292 HAL2 6465 0 0 0 0.09 6469 6467 H22 SLES 1 -31.5848 -1.30611 -3.39875 HAL2 6465 0 0 0 0.09 6470 6468 C3 SLES 1 -30.9068 -0.472103 -5.35606 CTL2 6465 6469 6470 6471 -0.18 6471 6469 H31 SLES 1 -30.8108 -1.01963 -6.32005 HAL2 6468 0 0 0 0.09 6472 6470 H32 SLES 1 -31.2746 0.549018 -5.58034 HAL2 6468 0 0 0 0.09 6473 6471 C4 SLES 1 -29.4771 -0.366965 -4.67996 CTL2 6468 6472 6473 6474 -0.18 6474 6472 H41 SLES 1 -28.8109 -1.13447 -5.12631 HAL2 6471 0 0 0 0.09 6475 6473 H42 SLES 1 -29.5701 -0.584117 -3.59404 HAL2 6471 0 0 0 0.09 6476 6474 C5 SLES 1 -28.814 1.07198 -4.86571 CTL2 6471 6475 6476 6477 -0.18 6477 6475 H51 SLES 1 -29.3278 1.60405 -5.69658 HAL2 6474 0 0 0 0.09 6478 6476 H52 SLES 1 -28.9658 1.66421 -3.93449 HAL2 6474 0 0 0 0.09 6479 6477 C6 SLES 1 -27.2725 1.00118 -5.18208 CTL2 6474 6478 6479 6480 -0.18 6480 6478 H61 SLES 1 -27.1322 0.629078 -6.22176 HAL2 6477 0 0 0 0.09 6481 6479 H62 SLES 1 -26.8435 2.02888 -5.12475 HAL2 6477 0 0 0 0.09 6482 6480 C7 SLES 1 -26.4948 0.0703129 -4.19873 CTL2 6477 6481 6482 6483 -0.18 6483 6481 H71 SLES 1 -26.6193 -0.986201 -4.52437 HAL2 6480 0 0 0 0.09 6484 6482 H72 SLES 1 -26.9325 0.169778 -3.18047 HAL2 6480 0 0 0 0.09 6485 6483 C8 SLES 1 -24.9831 0.401758 -4.1329 CTL2 6480 6484 6485 6486 -0.18 6486 6484 H81 SLES 1 -24.5919 0.525378 -5.1688 HAL2 6483 0 0 0 0.09 6487 6485 H82 SLES 1 -24.8454 1.36762 -3.59552 HAL2 6483 0 0 0 0.09 6488 6486 C9 SLES 1 -24.1666 -0.699833 -3.41166 CTL2 6483 6487 6488 6489 -0.18 6489 6487 H91 SLES 1 -24.3283 -1.67111 -3.93205 HAL2 6486 0 0 0 0.09 6490 6488 H92 SLES 1 -24.5397 -0.803224 -2.36781 HAL2 6486 0 0 0 0.09 6491 6489 C10 SLES 1 -22.6508 -0.392393 -3.37768 CTL2 6486 6490 6491 6492 -0.18 6492 6490 H10 SLES 1 -22.2725 -0.312017 -4.4223 HAL2 6489 0 0 0 0.09 6493 6491 H10 SLES 1 -22.49 0.589239 -2.87711 HAL2 6489 0 0 0 0.09 6494 6492 C11 SLES 1 -21.84 -1.48249 -2.62781 CTL2 6489 6493 6494 6495 -0.18 6495 6493 H11 SLES 1 -21.9987 -2.46095 -3.13628 HAL2 6492 0 0 0 0.09 6496 6494 H11 SLES 1 -22.2337 -1.5717 -1.58956 HAL2 6492 0 0 0 0.09 6497 6495 C12 SLES 1 -20.3177 -1.19466 -2.56196 CTL3 6492 6496 6497 6498 -0.27 6498 6496 H12 SLES 1 -19.7475 -2.01749 -3.04684 HAL3 6495 0 0 0 0.09 6499 6497 H12 SLES 1 -19.986 -1.10922 -1.50367 HAL3 6495 0 0 0 0.09 6500 6498 H12 SLES 1 -20.0807 -0.242908 -3.08552 HAL3 6495 0 0 0 0.09 6501 6499 NA SLES 1 -42.3669 11.4058 -5.19958 NA 0 0 0 0 1 6502 6500 S SLES 1 -40.1084 13.1122 -7.50989 SL 6501 6502 6503 6504 1.33 6503 6501 OS1 SLES 1 -39.6112 12.0642 -6.30079 OSL 6500 6505 0 0 -0.28 6504 6502 OS2 SLES 1 -41.018 12.3626 -8.35147 O2L 6500 0 0 0 -0.65 6505 6503 OS3 SLES 1 -40.8215 14.1835 -6.8463 O2L 6500 0 0 0 -0.65 6506 6504 OS4 SLES 1 -39.028 13.6607 -8.31382 O2L 6500 0 0 0 -0.65 6507 6505 C2 SLES 1 -38.158 11.7663 -6.44127 CC32A 6501 6506 6507 6508 -0.11 6508 6506 H2A SLES 1 -37.9324 11.3652 -7.46861 HCA2 6505 0 0 0 0.09 6509 6507 H2B SLES 1 -37.5814 12.7203 -6.28782 HCA2 6505 0 0 0 0.09 6510 6508 C1 SLES 1 -37.7283 10.6905 -5.335 CC32A 6505 6509 6510 6511 -0.01 6511 6509 H1B SLES 1 -38.3597 9.77709 -5.42906 HCA2 6508 0 0 0 0.09 6512 6510 H1A SLES 1 -37.8663 11.1191 -4.31501 HCA2 6508 0 0 0 0.09 6513 6511 O1 SLES 1 -36.3558 10.1484 -5.32162 OC30A 6508 6512 0 0 -0.34 6514 6512 C2 SLES 1 -35.3579 10.9001 -6.04397 CC32A 6511 6513 6514 6515 -0.01 6515 6513 H2A SLES 1 -35.7583 10.8723 -7.07632 HCA2 6512 0 0 0 0.09 6516 6514 H2B SLES 1 -35.4895 11.9274 -5.63569 HCA2 6512 0 0 0 0.09 6517 6515 C1 SLES 1 -33.8402 10.5346 -6.06492 CC32A 6512 6516 6517 6518 -0.01 6518 6516 H1B SLES 1 -33.629 9.85846 -6.92179 HCA2 6515 0 0 0 0.09 6519 6517 H1A SLES 1 -33.2426 11.4601 -6.18722 HCA2 6515 0 0 0 0.09 6520 6518 O1 SLES 1 -33.1772 9.79492 -4.98975 OC30A 6515 6519 0 0 -0.34 6521 6519 C1 SLES 1 -31.7492 10.1117 -4.80359 CTL2 6518 6520 6521 6522 -0.18 6522 6520 H11 SLES 1 -31.4364 10.7262 -5.66716 HAL2 6519 0 0 0 0.09 6523 6521 H12 SLES 1 -31.7859 10.7576 -3.90206 HAL2 6519 0 0 0 0.09 6524 6522 C2 SLES 1 -30.7112 8.94144 -4.58196 CTL2 6519 6523 6524 6525 -0.18 6525 6523 H21 SLES 1 -31.244 7.9659 -4.63945 HAL2 6522 0 0 0 0.09 6526 6524 H22 SLES 1 -30.2746 9.03364 -3.56338 HAL2 6522 0 0 0 0.09 6527 6525 C3 SLES 1 -29.5267 8.95634 -5.66596 CTL2 6522 6526 6527 6528 -0.18 6528 6526 H31 SLES 1 -29.7103 8.15222 -6.41292 HAL2 6525 0 0 0 0.09 6529 6527 H32 SLES 1 -29.5389 9.92669 -6.20123 HAL2 6525 0 0 0 0.09 6530 6528 C4 SLES 1 -28.0943 8.74224 -5.02188 CTL2 6525 6529 6530 6531 -0.18 6531 6529 H41 SLES 1 -27.775 7.69344 -5.19563 HAL2 6528 0 0 0 0.09 6532 6530 H42 SLES 1 -28.1601 8.90266 -3.92417 HAL2 6528 0 0 0 0.09 6533 6531 C5 SLES 1 -26.9958 9.72935 -5.62487 CTL2 6528 6532 6533 6534 -0.18 6534 6532 H51 SLES 1 -27.3664 10.1387 -6.59058 HAL2 6531 0 0 0 0.09 6535 6533 H52 SLES 1 -26.8518 10.5832 -4.9241 HAL2 6531 0 0 0 0.09 6536 6534 C6 SLES 1 -25.6071 9.02688 -5.86851 CTL2 6531 6535 6536 6537 -0.18 6537 6535 H61 SLES 1 -25.6957 8.34043 -6.74029 HAL2 6534 0 0 0 0.09 6538 6536 H62 SLES 1 -24.8474 9.80371 -6.11943 HAL2 6534 0 0 0 0.09 6539 6537 C7 SLES 1 -25.1136 8.21513 -4.62923 CTL2 6534 6538 6539 6540 -0.18 6540 6538 H71 SLES 1 -25.6221 7.2257 -4.61772 HAL2 6537 0 0 0 0.09 6541 6539 H72 SLES 1 -25.3987 8.75875 -3.70104 HAL2 6537 0 0 0 0.09 6542 6540 C8 SLES 1 -23.5806 7.99284 -4.63335 CTL2 6537 6541 6542 6543 -0.18 6543 6541 H81 SLES 1 -23.2638 7.65848 -5.64787 HAL2 6540 0 0 0 0.09 6544 6542 H82 SLES 1 -23.0721 8.95957 -4.41528 HAL2 6540 0 0 0 0.09 6545 6543 C9 SLES 1 -23.1327 6.93857 -3.59017 CTL2 6540 6544 6545 6546 -0.18 6546 6544 H91 SLES 1 -23.664 5.98057 -3.79098 HAL2 6543 0 0 0 0.09 6547 6545 H92 SLES 1 -23.4249 7.28681 -2.57389 HAL2 6543 0 0 0 0.09 6548 6546 C10 SLES 1 -21.6069 6.68414 -3.61714 CTL2 6543 6547 6548 6549 -0.18 6549 6547 H10 SLES 1 -21.3179 6.31341 -4.62698 HAL2 6546 0 0 0 0.09 6550 6548 H10 SLES 1 -21.0747 7.64581 -3.4384 HAL2 6546 0 0 0 0.09 6551 6549 C11 SLES 1 -21.1579 5.65053 -2.55038 CTL2 6546 6550 6551 6552 -0.18 6552 6550 H11 SLES 1 -21.6878 4.68859 -2.73757 HAL2 6549 0 0 0 0.09 6553 6551 H11 SLES 1 -21.465 6.01702 -1.54425 HAL2 6549 0 0 0 0.09 6554 6552 C12 SLES 1 -19.63 5.38581 -2.54085 CTL3 6549 6553 6554 6555 -0.27 6555 6553 H12 SLES 1 -19.4228 4.31057 -2.7365 HAL3 6552 0 0 0 0.09 6556 6554 H12 SLES 1 -19.1971 5.65605 -1.55248 HAL3 6552 0 0 0 0.09 6557 6555 H12 SLES 1 -19.1272 5.99201 -3.3256 HAL3 6552 0 0 0 0.09 6558 6556 NA SLES 1 -36.3197 24.6016 -5.26527 NA 0 0 0 0 1 6559 6557 S SLES 1 -34.0645 24.7061 -8.13817 SL 6558 6559 6560 6561 1.33 6560 6558 OS1 SLES 1 -33.7421 23.89 -6.71082 OSL 6557 6562 0 0 -0.28 6561 6559 OS2 SLES 1 -35.3055 24.1615 -8.64867 O2L 6557 0 0 0 -0.65 6562 6560 OS3 SLES 1 -34.2493 26.0955 -7.7748 O2L 6557 0 0 0 -0.65 6563 6561 OS4 SLES 1 -33.0222 24.5928 -9.14581 O2L 6557 0 0 0 -0.65 6564 6562 C2 SLES 1 -32.5212 23.0491 -6.86146 CC32A 6558 6563 6564 6565 -0.11 6565 6563 H2A SLES 1 -32.6274 22.3479 -7.73565 HCA2 6562 0 0 0 0.09 6566 6564 H2B SLES 1 -31.6411 23.7264 -7.04253 HCA2 6562 0 0 0 0.09 6567 6565 C1 SLES 1 -32.2887 22.2072 -5.51874 CC32A 6562 6566 6567 6568 -0.01 6568 6566 H1B SLES 1 -33.1954 21.6014 -5.28931 HCA2 6565 0 0 0 0.09 6569 6567 H1A SLES 1 -32.0934 22.8986 -4.66618 HCA2 6565 0 0 0 0.09 6570 6568 O1 SLES 1 -31.1971 21.2168 -5.44416 OC30A 6565 6569 0 0 -0.34 6571 6569 C2 SLES 1 -30.1489 21.3362 -6.42885 CC32A 6568 6570 6571 6572 -0.01 6572 6570 H2A SLES 1 -30.7106 21.1996 -7.37367 HCA2 6569 0 0 0 0.09 6573 6571 H2B SLES 1 -29.8551 22.4061 -6.33768 HCA2 6569 0 0 0 0.09 6574 6572 C1 SLES 1 -28.8699 20.4412 -6.4503 CC32A 6569 6573 6574 6575 -0.01 6575 6573 H1B SLES 1 -29.0515 19.5424 -7.07903 HCA2 6572 0 0 0 0.09 6576 6574 H1A SLES 1 -28.0285 21.0158 -6.88676 HCA2 6572 0 0 0 0.09 6577 6575 O1 SLES 1 -28.3144 19.8052 -5.25459 OC30A 6572 6576 0 0 -0.34 6578 6576 C1 SLES 1 -26.8537 19.6055 -5.27625 CTL2 6575 6577 6578 6579 -0.18 6579 6577 H11 SLES 1 -26.5105 19.8209 -6.30437 HAL2 6576 0 0 0 0.09 6580 6578 H12 SLES 1 -26.5128 20.4238 -4.60871 HAL2 6576 0 0 0 0.09 6581 6579 C2 SLES 1 -26.2453 18.2304 -4.79142 CTL2 6576 6580 6581 6582 -0.18 6582 6580 H21 SLES 1 -27.0751 17.5417 -4.51581 HAL2 6579 0 0 0 0.09 6583 6581 H22 SLES 1 -25.631 18.4077 -3.8816 HAL2 6579 0 0 0 0.09 6584 6582 C3 SLES 1 -25.3346 17.5308 -5.91374 CTL2 6579 6583 6584 6585 -0.18 6585 6583 H31 SLES 1 -25.9052 16.6919 -6.37085 HAL2 6582 0 0 0 0.09 6586 6584 H32 SLES 1 -25.1154 18.2676 -6.71207 HAL2 6582 0 0 0 0.09 6587 6585 C4 SLES 1 -23.9669 16.9705 -5.34137 CTL2 6582 6586 6587 6588 -0.18 6588 6586 H41 SLES 1 -24.0528 15.8708 -5.21664 HAL2 6585 0 0 0 0.09 6589 6587 H42 SLES 1 -23.7808 17.4151 -4.33999 HAL2 6585 0 0 0 0.09 6590 6588 C5 SLES 1 -22.7257 17.293 -6.29017 CTL2 6585 6589 6590 6591 -0.18 6591 6589 H51 SLES 1 -23.1018 17.5528 -7.30433 HAL2 6588 0 0 0 0.09 6592 6590 H52 SLES 1 -22.1832 18.1795 -5.88898 HAL2 6588 0 0 0 0.09 6593 6591 C6 SLES 1 -21.718 16.0885 -6.41341 CTL2 6588 6592 6593 6594 -0.18 6594 6592 H61 SLES 1 -22.1833 15.2881 -7.03139 HAL2 6591 0 0 0 0.09 6595 6593 H62 SLES 1 -20.799 16.4377 -6.93966 HAL2 6591 0 0 0 0.09 6596 6594 C7 SLES 1 -21.3147 15.4925 -5.02766 CTL2 6591 6595 6596 6597 -0.18 6597 6595 H71 SLES 1 -22.1146 14.7998 -4.68401 HAL2 6594 0 0 0 0.09 6598 6596 H72 SLES 1 -21.2333 16.3182 -4.28608 HAL2 6594 0 0 0 0.09 6599 6597 C8 SLES 1 -19.9706 14.724 -5.07698 CTL2 6594 6598 6599 6600 -0.18 6600 6598 H81 SLES 1 -19.9678 14.0518 -5.96554 HAL2 6597 0 0 0 0.09 6601 6599 H82 SLES 1 -19.138 15.4543 -5.19538 HAL2 6597 0 0 0 0.09 6602 6600 C9 SLES 1 -19.7252 13.8786 -3.80204 CTL2 6597 6601 6602 6603 -0.18 6603 6601 H91 SLES 1 -20.5729 13.1689 -3.66815 HAL2 6600 0 0 0 0.09 6604 6602 H92 SLES 1 -19.7002 14.5546 -2.91774 HAL2 6600 0 0 0 0.09 6605 6603 C10 SLES 1 -18.4026 13.0784 -3.86297 CTL2 6600 6604 6605 6606 -0.18 6606 6604 H10 SLES 1 -18.4368 12.3851 -4.73419 HAL2 6603 0 0 0 0.09 6607 6605 H10 SLES 1 -17.5566 13.7854 -4.01902 HAL2 6603 0 0 0 0.09 6608 6606 C11 SLES 1 -18.145 12.257 -2.57184 CTL2 6603 6607 6608 6609 -0.18 6609 6607 H11 SLES 1 -18.9904 11.5467 -2.42393 HAL2 6606 0 0 0 0.09 6610 6608 H11 SLES 1 -18.1296 12.9522 -1.70157 HAL2 6606 0 0 0 0.09 6611 6609 C12 SLES 1 -16.8175 11.4559 -2.59513 CTL3 6606 6610 6611 6612 -0.27 6612 6610 H12 SLES 1 -17.02 10.3688 -2.47516 HAL3 6609 0 0 0 0.09 6613 6611 H12 SLES 1 -16.1523 11.7861 -1.76697 HAL3 6609 0 0 0 0.09 6614 6612 H12 SLES 1 -16.2873 11.6133 -3.55962 HAL3 6609 0 0 0 0.09 6615 6613 NA SLES 1 -26.1877 35.1475 -5.56236 NA 0 0 0 0 1 6616 6614 S SLES 1 -24.8064 33.855 -8.68841 SL 6615 6616 6617 6618 1.33 6617 6615 OS1 SLES 1 -24.433 33.2555 -7.16904 OSL 6614 6619 0 0 -0.28 6618 6616 OS2 SLES 1 -26.243 33.7397 -8.83111 O2L 6614 0 0 0 -0.65 6619 6617 OS3 SLES 1 -24.4235 35.2514 -8.67573 O2L 6614 0 0 0 -0.65 6620 6618 OS4 SLES 1 -24.1431 33.1701 -9.78627 O2L 6614 0 0 0 -0.65 6621 6619 C2 SLES 1 -23.6379 32.0011 -7.2902 CC32A 6615 6620 6621 6622 -0.11 6622 6620 H2A SLES 1 -24.1828 31.2451 -7.92171 HCA2 6619 0 0 0 0.09 6623 6621 H2B SLES 1 -22.656 32.2467 -7.78188 HCA2 6619 0 0 0 0.09 6624 6622 C1 SLES 1 -23.3757 31.3969 -5.8301 CC32A 6619 6623 6624 6625 -0.01 6625 6623 H1B SLES 1 -24.3461 31.2352 -5.3068 HCA2 6622 0 0 0 0.09 6626 6624 H1A SLES 1 -22.7583 32.1062 -5.23105 HCA2 6622 0 0 0 0.09 6627 6625 O1 SLES 1 -22.6926 30.0977 -5.67697 OC30A 6622 6626 0 0 -0.34 6628 6626 C2 SLES 1 -21.9408 29.6256 -6.81478 CC32A 6625 6627 6628 6629 -0.01 6629 6627 H2A SLES 1 -22.7301 29.5417 -7.58733 HCA2 6626 0 0 0 0.09 6630 6628 H2B SLES 1 -21.2953 30.5002 -7.0551 HCA2 6626 0 0 0 0.09 6631 6629 C1 SLES 1 -21.079 28.3239 -6.80828 CC32A 6626 6630 6631 6632 -0.01 6632 6630 H1B SLES 1 -21.6977 27.4627 -7.14239 HCA2 6629 0 0 0 0.09 6633 6631 H1A SLES 1 -20.2294 28.4441 -7.50988 HCA2 6629 0 0 0 0.09 6634 6632 O1 SLES 1 -20.4904 27.7563 -5.59415 OC30A 6629 6633 0 0 -0.34 6635 6633 C1 SLES 1 -19.2321 27.0154 -5.79891 CTL2 6632 6634 6635 6636 -0.18 6636 6634 H11 SLES 1 -19.101 26.8907 -6.88906 HAL2 6633 0 0 0 0.09 6637 6635 H12 SLES 1 -18.4856 27.7501 -5.43259 HAL2 6633 0 0 0 0.09 6638 6636 C2 SLES 1 -19.016 25.627 -5.07666 CTL2 6633 6637 6638 6639 -0.18 6639 6637 H21 SLES 1 -19.9326 25.3694 -4.5002 HAL2 6636 0 0 0 0.09 6640 6638 H22 SLES 1 -18.1739 25.7213 -4.35656 HAL2 6636 0 0 0 0.09 6641 6639 C3 SLES 1 -18.6954 24.4398 -6.10924 CTL2 6636 6640 6641 6642 -0.18 6642 6640 H31 SLES 1 -19.6062 23.8125 -6.23273 HAL2 6639 0 0 0 0.09 6643 6641 H32 SLES 1 -18.4474 24.8771 -7.0969 HAL2 6639 0 0 0 0.09 6644 6642 C4 SLES 1 -17.4955 23.5168 -5.63943 CTL2 6639 6643 6644 6645 -0.18 6645 6643 H41 SLES 1 -17.9086 22.576 -5.21952 HAL2 6642 0 0 0 0.09 6646 6644 H42 SLES 1 -16.932 24.0333 -4.83276 HAL2 6642 0 0 0 0.09 6647 6645 C5 SLES 1 -16.4917 23.1621 -6.8274 CTL2 6642 6646 6647 6648 -0.18 6648 6646 H51 SLES 1 -16.9973 23.3539 -7.79951 HAL2 6645 0 0 0 0.09 6649 6647 H52 SLES 1 -15.6045 23.8328 -6.76497 HAL2 6645 0 0 0 0.09 6650 6648 C6 SLES 1 -16.0049 21.6644 -6.79299 CTL2 6645 6649 6650 6651 -0.18 6651 6649 H61 SLES 1 -16.8466 21.0022 -7.09666 HAL2 6648 0 0 0 0.09 6652 6650 H62 SLES 1 -15.1816 21.5341 -7.53368 HAL2 6648 0 0 0 0.09 6653 6651 C7 SLES 1 -15.4948 21.2258 -5.38381 CTL2 6648 6652 6653 6654 -0.18 6654 6652 H71 SLES 1 -16.3688 20.9658 -4.74639 HAL2 6651 0 0 0 0.09 6655 6653 H72 SLES 1 -14.9638 22.0797 -4.90701 HAL2 6651 0 0 0 0.09 6656 6654 C8 SLES 1 -14.5386 20.0088 -5.44741 CTL2 6651 6655 6656 6657 -0.18 6657 6655 H81 SLES 1 -14.9781 19.235 -6.11779 HAL2 6654 0 0 0 0.09 6658 6656 H82 SLES 1 -13.5669 20.332 -5.88559 HAL2 6654 0 0 0 0.09 6659 6657 C9 SLES 1 -14.2824 19.3841 -4.053 CTL2 6654 6658 6659 6660 -0.18 6660 6658 H91 SLES 1 -15.2572 19.0882 -3.60301 HAL2 6657 0 0 0 0.09 6661 6659 H92 SLES 1 -13.8174 20.1499 -3.39213 HAL2 6657 0 0 0 0.09 6662 6660 C10 SLES 1 -13.3591 18.1443 -4.11586 CTL2 6657 6661 6662 6663 -0.18 6663 6661 H10 SLES 1 -13.8351 17.3686 -4.75826 HAL2 6660 0 0 0 0.09 6664 6662 H10 SLES 1 -12.3922 18.4343 -4.58597 HAL2 6660 0 0 0 0.09 6665 6663 C11 SLES 1 -13.0799 17.5396 -2.71429 CTL2 6660 6664 6665 6666 -0.18 6666 6664 H11 SLES 1 -14.0493 17.2448 -2.25117 HAL2 6663 0 0 0 0.09 6667 6665 H11 SLES 1 -12.6207 18.324 -2.07027 HAL2 6663 0 0 0 0.09 6668 6666 C12 SLES 1 -12.1432 16.3042 -2.74191 CTL3 6663 6667 6668 6669 -0.27 6669 6667 H12 SLES 1 -12.6594 15.4181 -2.31095 HAL3 6666 0 0 0 0.09 6670 6668 H12 SLES 1 -11.224 16.5027 -2.14771 HAL3 6666 0 0 0 0.09 6671 6669 H12 SLES 1 -11.8455 16.0674 -3.78662 HAL3 6666 0 0 0 0.09 6672 6670 NA SLES 1 -13.1101 41.7478 -6.10973 NA 0 0 0 0 1 6673 6671 S SLES 1 -13.2237 39.7287 -9.15288 SL 6672 6673 6674 6675 1.33 6674 6672 OS1 SLES 1 -12.6508 39.1833 -7.6758 OSL 6671 6676 0 0 -0.28 6675 6673 OS2 SLES 1 -14.5893 40.1558 -8.92875 O2L 6671 0 0 0 -0.65 6676 6674 OS3 SLES 1 -12.4035 40.8681 -9.50722 O2L 6671 0 0 0 -0.65 6677 6675 OS4 SLES 1 -13.1826 38.7393 -10.2177 O2L 6671 0 0 0 -0.65 6678 6676 C2 SLES 1 -12.4009 37.7154 -7.72923 CC32A 6672 6677 6678 6679 -0.11 6679 6677 H2A SLES 1 -13.3287 37.1661 -8.05266 HCA2 6676 0 0 0 0.09 6680 6678 H2B SLES 1 -11.5824 37.5194 -8.47621 HCA2 6676 0 0 0 0.09 6681 6679 C1 SLES 1 -11.9463 37.2022 -6.28154 CC32A 6676 6680 6681 6682 -0.01 6682 6680 H1B SLES 1 -12.7168 37.4741 -5.52378 HCA2 6679 0 0 0 0.09 6683 6681 H1A SLES 1 -10.9788 37.6777 -5.99678 HCA2 6679 0 0 0 0.09 6684 6682 O1 SLES 1 -11.7318 35.7624 -6.03878 OC30A 6679 6683 0 0 -0.34 6685 6683 C2 SLES 1 -11.5509 34.9312 -7.20455 CC32A 6682 6684 6685 6686 -0.01 6686 6684 H2A SLES 1 -12.5103 35.0792 -7.73794 HCA2 6683 0 0 0 0.09 6687 6685 H2B SLES 1 -10.7466 35.4662 -7.75795 HCA2 6683 0 0 0 0.09 6688 6686 C1 SLES 1 -11.2202 33.4067 -7.14277 CC32A 6683 6687 6688 6689 -0.01 6689 6687 H1B SLES 1 -12.1632 32.8179 -7.145 HCA2 6686 0 0 0 0.09 6690 6688 H1A SLES 1 -10.6237 33.1253 -8.03365 HCA2 6686 0 0 0 0.09 6691 6689 O1 SLES 1 -10.5328 32.779 -6.013 OC30A 6686 6690 0 0 -0.34 6692 6690 C1 SLES 1 -9.71858 31.5987 -6.35639 CTL2 6689 6691 6692 6693 -0.18 6693 6691 H11 SLES 1 -9.96112 31.3278 -7.39993 HAL2 6690 0 0 0 0.09 6694 6692 H12 SLES 1 -8.69479 32.0258 -6.32845 HAL2 6690 0 0 0 0.09 6695 6693 C2 SLES 1 -9.78635 30.3101 -5.44475 CTL2 6690 6694 6695 6696 -0.18 6696 6694 H21 SLES 1 -10.5258 30.4784 -4.63004 HAL2 6693 0 0 0 0.09 6697 6695 H22 SLES 1 -8.79145 30.1465 -4.97574 HAL2 6693 0 0 0 0.09 6698 6696 C3 SLES 1 -10.2033 28.9957 -6.26755 CTL2 6693 6697 6698 6699 -0.18 6699 6697 H31 SLES 1 -11.2668 28.7537 -6.04712 HAL2 6696 0 0 0 0.09 6700 6698 H32 SLES 1 -10.1206 29.2071 -7.3523 HAL2 6696 0 0 0 0.09 6701 6699 C4 SLES 1 -9.30664 27.736 -5.9192 CTL2 6696 6700 6701 6702 -0.18 6702 6700 H41 SLES 1 -9.87321 27.0691 -5.23632 HAL2 6699 0 0 0 0.09 6703 6701 H42 SLES 1 -8.3924 28.075 -5.38603 HAL2 6699 0 0 0 0.09 6704 6702 C5 SLES 1 -8.87513 26.9118 -7.21508 CTL2 6699 6703 6704 6705 -0.18 6705 6703 H51 SLES 1 -9.5453 27.186 -8.05957 HAL2 6702 0 0 0 0.09 6706 6704 H52 SLES 1 -7.83572 27.1969 -7.4967 HAL2 6702 0 0 0 0.09 6707 6705 C6 SLES 1 -8.93818 25.3526 -6.99992 CTL2 6702 6706 6707 6708 -0.18 6708 6706 H61 SLES 1 -10.0042 25.0346 -6.96028 HAL2 6705 0 0 0 0.09 6709 6707 H62 SLES 1 -8.46166 24.8472 -7.87224 HAL2 6705 0 0 0 0.09 6710 6708 C7 SLES 1 -8.2205 24.8925 -5.69167 CTL2 6705 6709 6710 6711 -0.18 6711 6709 H71 SLES 1 -8.90487 25.0483 -4.82846 HAL2 6708 0 0 0 0.09 6712 6710 H72 SLES 1 -7.31688 25.522 -5.53161 HAL2 6708 0 0 0 0.09 6713 6711 C8 SLES 1 -7.79692 23.4032 -5.73554 CTL2 6708 6712 6713 6714 -0.18 6714 6712 H81 SLES 1 -8.64792 22.7936 -6.11714 HAL2 6711 0 0 0 0.09 6715 6713 H82 SLES 1 -6.94571 23.2877 -6.44457 HAL2 6711 0 0 0 0.09 6716 6714 C9 SLES 1 -7.37384 22.8671 -4.34489 CTL2 6711 6715 6716 6717 -0.18 6717 6715 H91 SLES 1 -8.21515 23.01 -3.62928 HAL2 6714 0 0 0 0.09 6718 6716 H92 SLES 1 -6.50557 23.4587 -3.97672 HAL2 6714 0 0 0 0.09 6719 6717 C10 SLES 1 -6.98728 21.3694 -4.3758 CTL2 6714 6718 6719 6720 -0.18 6720 6718 H10 SLES 1 -7.86332 20.7748 -4.72187 HAL2 6717 0 0 0 0.09 6721 6719 H10 SLES 1 -6.16089 21.2221 -5.10753 HAL2 6717 0 0 0 0.09 6722 6720 C11 SLES 1 -6.53472 20.8437 -2.9877 CTL2 6717 6721 6722 6723 -0.18 6723 6721 H11 SLES 1 -7.36699 20.9869 -2.2611 HAL2 6720 0 0 0 0.09 6724 6722 H11 SLES 1 -5.67015 21.4529 -2.63791 HAL2 6720 0 0 0 0.09 6725 6723 C12 SLES 1 -6.12437 19.3483 -2.98911 CTL3 6720 6724 6725 6726 -0.27 6726 6724 H12 SLES 1 -6.76136 18.7721 -2.28235 HAL3 6723 0 0 0 0.09 6727 6725 H12 SLES 1 -5.06185 19.2388 -2.67861 HAL3 6723 0 0 0 0.09 6728 6726 H12 SLES 1 -6.24266 18.9154 -4.00632 HAL3 6723 0 0 0 0.09 6729 6727 NA SLES 1 1.35297 43.6191 -6.90113 NA 0 0 0 0 1 6730 6728 S SLES 1 -0.397135 41.785 -9.53242 SL 6729 6730 6731 6732 1.33 6731 6729 OS1 SLES 1 0.368607 41.0668 -8.22657 OSL 6728 6733 0 0 -0.28 6732 6730 OS2 SLES 1 -1.38305 42.6908 -8.98007 O2L 6728 0 0 0 -0.65 6733 6731 OS3 SLES 1 0.622694 42.536 -10.2342 O2L 6728 0 0 0 -0.65 6734 6732 OS4 SLES 1 -1.03843 40.8506 -10.4435 O2L 6728 0 0 0 -0.65 6735 6733 C2 SLES 1 0.0523408 39.6115 -8.17924 CC32A 6729 6734 6735 6736 -0.11 6736 6734 H2A SLES 1 -1.06117 39.4475 -8.15995 HCA2 6733 0 0 0 0.09 6737 6735 H2B SLES 1 0.476535 39.1236 -9.10029 HCA2 6733 0 0 0 0.09 6738 6736 C1 SLES 1 0.715997 38.9672 -6.87144 CC32A 6733 6737 6738 6739 -0.01 6739 6737 H1B SLES 1 0.364378 39.5076 -5.96251 HCA2 6736 0 0 0 0.09 6740 6738 H1A SLES 1 1.82648 39.048 -6.9303 HCA2 6736 0 0 0 0.09 6741 6739 O1 SLES 1 0.469266 37.5516 -6.53537 OC30A 6736 6740 0 0 -0.34 6742 6740 C2 SLES 1 -0.0234603 36.7117 -7.6005 CC32A 6739 6741 6742 6743 -0.01 6743 6741 H2A SLES 1 -0.981971 37.2063 -7.85246 HCA2 6740 0 0 0 0.09 6744 6742 H2B SLES 1 0.706878 36.9076 -8.41757 HCA2 6740 0 0 0 0.09 6745 6743 C1 SLES 1 -0.253047 35.1739 -7.45997 CC32A 6740 6744 6745 6746 -0.01 6746 6744 H1B SLES 1 -1.29548 34.9792 -7.12609 HCA2 6743 0 0 0 0.09 6747 6745 H1A SLES 1 -0.0993706 34.6895 -8.44502 HCA2 6743 0 0 0 0.09 6748 6746 O1 SLES 1 0.477998 34.3363 -6.50773 OC30A 6743 6747 0 0 -0.34 6749 6747 C1 SLES 1 0.673216 32.9372 -6.92998 CTL2 6746 6748 6749 6750 -0.18 6750 6748 H11 SLES 1 0.0427688 32.7752 -7.823 HAL2 6747 0 0 0 0.09 6751 6749 H12 SLES 1 1.73748 32.9516 -7.2437 HAL2 6747 0 0 0 0.09 6752 6750 C2 SLES 1 0.436021 31.7677 -5.89446 CTL2 6747 6751 6752 6753 -0.18 6753 6751 H21 SLES 1 0.0926114 32.2004 -4.92823 HAL2 6750 0 0 0 0.09 6754 6752 H22 SLES 1 1.4006 31.2453 -5.71207 HAL2 6750 0 0 0 0.09 6755 6753 C3 SLES 1 -0.650838 30.7028 -6.4075 CTL2 6750 6754 6755 6756 -0.18 6756 6754 H31 SLES 1 -1.60839 30.8751 -5.86742 HAL2 6753 0 0 0 0.09 6757 6755 H32 SLES 1 -0.835629 30.867 -7.48782 HAL2 6753 0 0 0 0.09 6758 6756 C4 SLES 1 -0.198799 29.1999 -6.18564 CTL2 6753 6757 6758 6759 -0.18 6759 6757 H41 SLES 1 -0.726238 28.7931 -5.29771 HAL2 6756 0 0 0 0.09 6760 6758 H42 SLES 1 0.892489 29.1741 -5.97719 HAL2 6756 0 0 0 0.09 6761 6759 C5 SLES 1 -0.507568 28.273 -7.44667 CTL2 6756 6760 6761 6762 -0.18 6762 6760 H51 SLES 1 -1.26135 28.7764 -8.09151 HAL2 6759 0 0 0 0.09 6763 6761 H52 SLES 1 0.425158 28.1495 -8.0431 HAL2 6759 0 0 0 0.09 6764 6762 C6 SLES 1 -1.05024 26.85 -7.0442 CTL2 6759 6763 6764 6765 -0.18 6765 6763 H61 SLES 1 -2.09239 26.9525 -6.66672 HAL2 6762 0 0 0 0.09 6766 6764 H62 SLES 1 -1.07626 26.2024 -7.95165 HAL2 6762 0 0 0 0.09 6767 6765 C7 SLES 1 -0.178175 26.1567 -5.95003 CTL2 6762 6766 6767 6768 -0.18 6768 6766 H71 SLES 1 -0.462547 26.5574 -4.95184 HAL2 6765 0 0 0 0.09 6769 6767 H72 SLES 1 0.892269 26.4039 -6.12718 HAL2 6765 0 0 0 0.09 6770 6768 C8 SLES 1 -0.345752 24.6168 -5.94049 CTL2 6765 6769 6770 6771 -0.18 6771 6769 H81 SLES 1 -1.43065 24.3682 -5.99146 HAL2 6768 0 0 0 0.09 6772 6770 H82 SLES 1 0.147563 24.1915 -6.84403 HAL2 6768 0 0 0 0.09 6773 6771 C9 SLES 1 0.264438 23.963 -4.67538 CTL2 6768 6772 6773 6774 -0.18 6774 6772 H91 SLES 1 -0.208377 24.4101 -3.77158 HAL2 6771 0 0 0 0.09 6775 6773 H92 SLES 1 1.35411 24.1885 -4.64005 HAL2 6771 0 0 0 0.09 6776 6774 C10 SLES 1 0.0651953 22.4292 -4.64203 CTL2 6771 6775 6776 6777 -0.18 6777 6775 H10 SLES 1 -1.02561 22.2038 -4.65378 HAL2 6774 0 0 0 0.09 6778 6776 H10 SLES 1 0.518364 21.9836 -5.55645 HAL2 6774 0 0 0 0.09 6779 6777 C11 SLES 1 0.704339 21.774 -3.38893 CTL2 6774 6778 6779 6780 -0.18 6780 6778 H11 SLES 1 0.24297 22.218 -2.47726 HAL2 6777 0 0 0 0.09 6781 6779 H11 SLES 1 1.79132 22.0172 -3.37206 HAL2 6777 0 0 0 0.09 6782 6780 C12 SLES 1 0.535979 20.2335 -3.33454 CTL3 6777 6781 6782 6783 -0.27 6783 6781 H12 SLES 1 -0.0141702 19.9371 -2.41431 HAL3 6780 0 0 0 0.09 6784 6782 H12 SLES 1 1.53084 19.7359 -3.32847 HAL3 6780 0 0 0 0.09 6785 6783 H12 SLES 1 -0.0341222 19.8749 -4.21914 HAL3 6780 0 0 0 0.09 6786 6784 NA SLES 1 15.47 40.6234 -7.90571 NA 0 0 0 0 1 6787 6785 S SLES 1 12.4774 39.8067 -9.83635 SL 6786 6787 6788 6789 1.33 6788 6786 OS1 SLES 1 13.2639 38.739 -8.81233 OSL 6785 6790 0 0 -0.28 6789 6787 OS2 SLES 1 12.1081 40.9505 -9.02828 O2L 6785 0 0 0 -0.65 6790 6788 OS3 SLES 1 13.4516 40.2015 -10.8321 O2L 6785 0 0 0 -0.65 6791 6789 OS4 SLES 1 11.2983 39.2591 -10.4877 O2L 6785 0 0 0 -0.65 6792 6790 C2 SLES 1 12.4557 37.4991 -8.63976 CC32A 6786 6791 6792 6793 -0.11 6793 6791 H2A SLES 1 11.4194 37.7478 -8.27743 HCA2 6790 0 0 0 0.09 6794 6792 H2B SLES 1 12.3789 36.9813 -9.63587 HCA2 6790 0 0 0 0.09 6795 6793 C1 SLES 1 13.1805 36.5367 -7.58423 CC32A 6790 6794 6795 6796 -0.01 6796 6794 H1B SLES 1 13.3374 37.0781 -6.62296 HCA2 6793 0 0 0 0.09 6797 6795 H1A SLES 1 14.1716 36.2156 -7.98154 HCA2 6793 0 0 0 0.09 6798 6796 O1 SLES 1 12.5325 35.2809 -7.15893 OC30A 6793 6797 0 0 -0.34 6799 6797 C2 SLES 1 11.4747 34.7819 -8.00434 CC32A 6796 6798 6799 6800 -0.01 6800 6798 H2A SLES 1 10.7418 35.6113 -7.96153 HCA2 6797 0 0 0 0.09 6801 6799 H2B SLES 1 11.9531 34.7775 -9.00955 HCA2 6797 0 0 0 0.09 6802 6800 C1 SLES 1 10.7391 33.4253 -7.76783 CC32A 6797 6801 6802 6803 -0.01 6803 6801 H1B SLES 1 9.84556 33.5898 -7.12713 HCA2 6800 0 0 0 0.09 6804 6802 H1A SLES 1 10.4067 33.0146 -8.7422 HCA2 6800 0 0 0 0.09 6805 6803 O1 SLES 1 11.3476 32.2932 -7.06725 OC30A 6800 6804 0 0 -0.34 6806 6804 C1 SLES 1 10.8741 30.9653 -7.49926 CTL2 6803 6805 6806 6807 -0.18 6807 6805 H11 SLES 1 9.99822 31.1284 -8.15308 HAL2 6804 0 0 0 0.09 6808 6806 H12 SLES 1 11.7254 30.6238 -8.12363 HAL2 6804 0 0 0 0.09 6809 6807 C2 SLES 1 10.53 29.8676 -6.41631 CTL2 6804 6808 6809 6810 -0.18 6810 6808 H21 SLES 1 10.6706 30.3007 -5.40073 HAL2 6807 0 0 0 0.09 6811 6809 H22 SLES 1 11.2376 29.0168 -6.5266 HAL2 6807 0 0 0 0.09 6812 6810 C3 SLES 1 9.02571 29.322 -6.54976 CTL2 6807 6811 6812 6813 -0.18 6813 6811 H31 SLES 1 8.40398 29.7765 -5.74651 HAL2 6810 0 0 0 0.09 6814 6812 H32 SLES 1 8.60963 29.6444 -7.52504 HAL2 6810 0 0 0 0.09 6815 6813 C4 SLES 1 8.92725 27.7435 -6.445 CTL2 6810 6814 6815 6816 -0.18 6816 6814 H41 SLES 1 8.56939 27.4721 -5.42992 HAL2 6813 0 0 0 0.09 6817 6815 H42 SLES 1 9.93945 27.305 -6.57975 HAL2 6813 0 0 0 0.09 6818 6816 C5 SLES 1 7.94188 27.116 -7.5313 CTL2 6813 6817 6818 6819 -0.18 6819 6817 H51 SLES 1 7.27817 27.9171 -7.92525 HAL2 6816 0 0 0 0.09 6820 6818 H52 SLES 1 8.54357 26.7212 -8.38162 HAL2 6816 0 0 0 0.09 6821 6819 C6 SLES 1 7.04976 25.9541 -6.95214 CTL2 6816 6820 6821 6822 -0.18 6822 6820 H61 SLES 1 6.28012 26.39 -6.27633 HAL2 6819 0 0 0 0.09 6823 6821 H62 SLES 1 6.52074 25.4496 -7.79425 HAL2 6819 0 0 0 0.09 6824 6822 C7 SLES 1 7.87764 24.8913 -6.16265 CTL2 6819 6823 6824 6825 -0.18 6825 6823 H71 SLES 1 8.0675 25.2703 -5.13403 HAL2 6822 0 0 0 0.09 6826 6824 H72 SLES 1 8.86115 24.7503 -6.66383 HAL2 6822 0 0 0 0.09 6827 6825 C8 SLES 1 7.15778 23.5228 -6.06974 CTL2 6822 6826 6827 6828 -0.18 6828 6826 H81 SLES 1 6.09457 23.6894 -5.78124 HAL2 6825 0 0 0 0.09 6829 6827 H82 SLES 1 7.17029 23.0363 -7.07163 HAL2 6825 0 0 0 0.09 6830 6828 C9 SLES 1 7.81952 22.5749 -5.03828 CTL2 6825 6829 6830 6831 -0.18 6831 6829 H91 SLES 1 7.83328 23.0742 -4.04286 HAL2 6828 0 0 0 0.09 6832 6830 H92 SLES 1 8.87376 22.3866 -5.34264 HAL2 6828 0 0 0 0.09 6833 6831 C10 SLES 1 7.08099 21.2212 -4.91315 CTL2 6828 6832 6833 6834 -0.18 6834 6832 H10 SLES 1 6.03268 21.4078 -4.58601 HAL2 6831 0 0 0 0.09 6835 6833 H10 SLES 1 7.04741 20.7315 -5.9127 HAL2 6831 0 0 0 0.09 6836 6834 C11 SLES 1 7.76424 20.2628 -3.90196 CTL2 6831 6835 6836 6837 -0.18 6837 6835 H11 SLES 1 7.7892 20.7543 -2.90248 HAL2 6834 0 0 0 0.09 6838 6836 H11 SLES 1 8.81731 20.0936 -4.22343 HAL2 6834 0 0 0 0.09 6839 6837 C12 SLES 1 7.05653 18.8898 -3.7661 CTL3 6834 6838 6839 6840 -0.27 6840 6838 H12 SLES 1 6.72931 18.7259 -2.71566 HAL3 6837 0 0 0 0.09 6841 6839 H12 SLES 1 7.74872 18.068 -4.05401 HAL3 6837 0 0 0 0.09 6842 6840 H12 SLES 1 6.16286 18.8479 -4.42619 HAL3 6837 0 0 0 0.09 6843 6841 NA SLES 1 27.6203 33.2704 -9.07099 NA 0 0 0 0 1 6844 6842 S SLES 1 24.1712 33.9282 -10.0816 SL 6843 6844 6845 6846 1.33 6845 6843 OS1 SLES 1 24.7049 32.4841 -9.42045 OSL 6842 6847 0 0 -0.28 6846 6844 OS2 SLES 1 24.4883 34.9609 -9.11693 O2L 6842 0 0 0 -0.65 6847 6845 OS3 SLES 1 24.9447 34.1285 -11.2892 O2L 6842 0 0 0 -0.65 6848 6846 OS4 SLES 1 22.7512 33.9602 -10.3927 O2L 6842 0 0 0 -0.65 6849 6847 C2 SLES 1 23.5468 31.5997 -9.10924 CC32A 6843 6848 6849 6850 -0.11 6850 6848 H2A SLES 1 22.8133 32.1274 -8.43796 HCA2 6847 0 0 0 0.09 6851 6849 H2B SLES 1 23.0317 31.3332 -10.0735 HCA2 6847 0 0 0 0.09 6852 6850 C1 SLES 1 24.0745 30.2683 -8.39183 CC32A 6847 6851 6852 6853 -0.01 6853 6851 H1B SLES 1 24.6613 30.5347 -7.48268 HCA2 6850 0 0 0 0.09 6854 6852 H1A SLES 1 24.731 29.6965 -9.08839 HCA2 6850 0 0 0 0.09 6855 6853 O1 SLES 1 23.1145 29.2667 -7.88878 OC30A 6850 6854 0 0 -0.34 6856 6854 C2 SLES 1 21.7733 29.336 -8.41694 CC32A 6853 6855 6856 6857 -0.01 6857 6855 H2A SLES 1 21.4568 30.3479 -8.09636 HCA2 6854 0 0 0 0.09 6858 6856 H2B SLES 1 21.9488 29.3465 -9.51623 HCA2 6854 0 0 0 0.09 6859 6857 C1 SLES 1 20.6499 28.3072 -8.0752 CC32A 6854 6858 6859 6860 -0.01 6860 6858 H1B SLES 1 20.0787 28.6565 -7.18763 HCA2 6857 0 0 0 0.09 6861 6859 H1A SLES 1 19.955 28.2251 -8.93487 HCA2 6857 0 0 0 0.09 6862 6860 O1 SLES 1 20.9208 26.9257 -7.67386 OC30A 6857 6861 0 0 -0.34 6863 6861 C1 SLES 1 19.8766 25.9528 -8.04417 CTL2 6860 6862 6863 6864 -0.18 6864 6862 H11 SLES 1 19.0021 26.5306 -8.3943 HAL2 6861 0 0 0 0.09 6865 6863 H12 SLES 1 20.3454 25.453 -8.91693 HAL2 6861 0 0 0 0.09 6866 6864 C2 SLES 1 19.4098 24.8691 -6.99347 CTL2 6861 6865 6866 6867 -0.18 6867 6865 H21 SLES 1 19.9533 25.032 -6.03591 HAL2 6864 0 0 0 0.09 6868 6866 H22 SLES 1 19.6789 23.8589 -7.37237 HAL2 6864 0 0 0 0.09 6869 6867 C3 SLES 1 17.8293 24.9233 -6.7148 CTL2 6864 6868 6869 6870 -0.18 6870 6868 H31 SLES 1 17.6524 25.4132 -5.73146 HAL2 6867 0 0 0 0.09 6871 6869 H32 SLES 1 17.3458 25.5437 -7.49551 HAL2 6867 0 0 0 0.09 6872 6870 C4 SLES 1 17.1523 23.4901 -6.70428 CTL2 6867 6871 6872 6873 -0.18 6873 6871 H41 SLES 1 16.9787 23.1821 -5.65208 HAL2 6870 0 0 0 0.09 6874 6872 H42 SLES 1 17.8465 22.7552 -7.16598 HAL2 6870 0 0 0 0.09 6875 6873 C5 SLES 1 15.766 23.4598 -7.49291 CTL2 6870 6874 6875 6876 -0.18 6876 6874 H51 SLES 1 15.3924 24.5009 -7.61078 HAL2 6873 0 0 0 0.09 6877 6875 H52 SLES 1 15.9368 23.0403 -8.51065 HAL2 6873 0 0 0 0.09 6878 6876 C6 SLES 1 14.6639 22.6024 -6.76389 CTL2 6873 6877 6878 6879 -0.18 6879 6877 H61 SLES 1 14.3171 23.1506 -5.85933 HAL2 6876 0 0 0 0.09 6880 6878 H62 SLES 1 13.7906 22.4795 -7.44632 HAL2 6876 0 0 0 0.09 6881 6879 C7 SLES 1 15.1784 21.191 -6.33787 CTL2 6876 6880 6881 6882 -0.18 6882 6880 H71 SLES 1 15.7477 21.2843 -5.3866 HAL2 6879 0 0 0 0.09 6883 6881 H72 SLES 1 15.8729 20.8062 -7.11755 HAL2 6879 0 0 0 0.09 6884 6882 C8 SLES 1 14.029 20.1719 -6.13837 CTL2 6879 6883 6884 6885 -0.18 6885 6883 H81 SLES 1 13.2214 20.6472 -5.53556 HAL2 6882 0 0 0 0.09 6886 6884 H82 SLES 1 13.6039 19.9036 -7.13234 HAL2 6882 0 0 0 0.09 6887 6885 C9 SLES 1 14.5004 18.8805 -5.42406 CTL2 6882 6886 6887 6888 -0.18 6888 6886 H91 SLES 1 14.9522 19.1524 -4.44309 HAL2 6885 0 0 0 0.09 6889 6887 H92 SLES 1 15.2877 18.3914 -6.04092 HAL2 6885 0 0 0 0.09 6890 6888 C10 SLES 1 13.3481 17.8757 -5.18723 CTL2 6885 6889 6890 6891 -0.18 6891 6889 H10 SLES 1 12.5711 18.357 -4.55057 HAL2 6888 0 0 0 0.09 6892 6890 H10 SLES 1 12.8815 17.6204 -6.16553 HAL2 6888 0 0 0 0.09 6893 6891 C11 SLES 1 13.8296 16.5707 -4.49939 CTL2 6888 6892 6893 6894 -0.18 6894 6892 H11 SLES 1 14.2892 16.8308 -3.51847 HAL2 6891 0 0 0 0.09 6895 6893 H11 SLES 1 14.619 16.1027 -5.13077 HAL2 6891 0 0 0 0.09 6896 6894 C12 SLES 1 12.6997 15.5353 -4.26295 CTL3 6891 6895 6896 6897 -0.27 6897 6895 H12 SLES 1 12.6038 15.3088 -3.17813 HAL3 6894 0 0 0 0.09 6898 6896 H12 SLES 1 12.9227 14.5895 -4.8042 HAL3 6894 0 0 0 0.09 6899 6897 H12 SLES 1 11.7279 15.9324 -4.62915 HAL3 6894 0 0 0 0.09 6900 6898 NA SLES 1 36.538 22.5917 -10.328 NA 0 0 0 0 1 6901 6899 S SLES 1 33.5189 24.6493 -10.2911 SL 6900 6901 6902 6903 1.33 6902 6900 OS1 SLES 1 33.5392 22.9935 -10.036 OSL 6899 6904 0 0 -0.28 6903 6901 OS2 SLES 1 34.3857 25.2281 -9.28558 O2L 6899 0 0 0 -0.65 6904 6902 OS3 SLES 1 34.0827 24.8609 -11.6079 O2L 6899 0 0 0 -0.65 6905 6903 OS4 SLES 1 32.199 25.2547 -10.215 O2L 6899 0 0 0 -0.65 6906 6904 C2 SLES 1 32.1987 22.5242 -9.58515 CC32A 6900 6905 6906 6907 -0.11 6907 6905 H2A SLES 1 31.8671 23.0898 -8.67009 HCA2 6904 0 0 0 0.09 6908 6906 H2B SLES 1 31.4593 22.7061 -10.4137 HCA2 6904 0 0 0 0.09 6909 6907 C1 SLES 1 32.2685 20.958 -9.25647 CC32A 6904 6908 6909 6910 -0.01 6910 6908 H1B SLES 1 33.0625 20.7647 -8.49895 HCA2 6907 0 0 0 0.09 6911 6909 H1A SLES 1 32.5088 20.3861 -10.1829 HCA2 6907 0 0 0 0.09 6912 6910 O1 SLES 1 31.0932 20.2655 -8.69338 OC30A 6907 6911 0 0 -0.34 6913 6911 C2 SLES 1 29.821 20.9311 -8.83826 CC32A 6910 6912 6913 6914 -0.01 6914 6912 H2A SLES 1 29.9962 21.8749 -8.28561 HCA2 6911 0 0 0 0.09 6915 6913 H2B SLES 1 29.79 21.1543 -9.92848 HCA2 6911 0 0 0 0.09 6916 6914 C1 SLES 1 28.4596 20.3117 -8.39098 CC32A 6911 6915 6916 6917 -0.01 6917 6915 H1B SLES 1 28.2408 20.6051 -7.34117 HCA2 6914 0 0 0 0.09 6918 6916 H1A SLES 1 27.6504 20.6969 -9.04329 HCA2 6914 0 0 0 0.09 6919 6917 O1 SLES 1 28.2227 18.8697 -8.30504 OC30A 6914 6918 0 0 -0.34 6920 6918 C1 SLES 1 26.8297 18.4513 -8.547 CTL2 6917 6919 6920 6921 -0.18 6921 6919 H11 SLES 1 26.2117 19.3673 -8.55976 HAL2 6918 0 0 0 0.09 6922 6920 H12 SLES 1 26.8988 18.0543 -9.58089 HAL2 6918 0 0 0 0.09 6923 6921 C2 SLES 1 26.1619 17.3743 -7.60343 CTL2 6918 6922 6923 6924 -0.18 6924 6922 H21 SLES 1 26.8842 17.0906 -6.80559 HAL2 6921 0 0 0 0.09 6925 6923 H22 SLES 1 25.9344 16.4632 -8.19911 HAL2 6921 0 0 0 0.09 6926 6924 C3 SLES 1 24.8101 17.9083 -6.92081 CTL2 6921 6925 6926 6927 -0.18 6927 6925 H31 SLES 1 25.0191 18.1661 -5.85868 HAL2 6924 0 0 0 0.09 6928 6926 H32 SLES 1 24.4853 18.8333 -7.43756 HAL2 6924 0 0 0 0.09 6929 6927 C4 SLES 1 23.6309 16.8503 -6.97043 CTL2 6924 6928 6929 6930 -0.18 6930 6928 H41 SLES 1 23.5366 16.3699 -5.97422 HAL2 6927 0 0 0 0.09 6931 6929 H42 SLES 1 23.8812 16.0592 -7.70968 HAL2 6927 0 0 0 0.09 6932 6930 C5 SLES 1 22.2325 17.5071 -7.36794 CTL2 6927 6931 6932 6933 -0.18 6933 6931 H51 SLES 1 22.291 18.6072 -7.21316 HAL2 6930 0 0 0 0.09 6934 6932 H52 SLES 1 22.0401 17.3236 -8.44969 HAL2 6930 0 0 0 0.09 6935 6933 C6 SLES 1 21.0266 16.938 -6.52938 CTL2 6930 6934 6935 6936 -0.18 6936 6934 H61 SLES 1 21.0922 17.3278 -5.48882 HAL2 6933 0 0 0 0.09 6937 6935 H62 SLES 1 20.0718 17.3046 -6.97351 HAL2 6933 0 0 0 0.09 6938 6936 C7 SLES 1 21.0014 15.3772 -6.48781 CTL2 6933 6937 6938 6939 -0.18 6939 6937 H71 SLES 1 21.7182 15.0233 -5.714 HAL2 6936 0 0 0 0.09 6940 6938 H72 SLES 1 21.3359 14.9815 -7.47259 HAL2 6936 0 0 0 0.09 6941 6939 C8 SLES 1 19.5954 14.8114 -6.16763 CTL2 6936 6940 6941 6942 -0.18 6942 6940 H81 SLES 1 19.1642 15.3728 -5.30721 HAL2 6939 0 0 0 0.09 6943 6941 H82 SLES 1 18.9312 14.9675 -7.048 HAL2 6939 0 0 0 0.09 6944 6942 C9 SLES 1 19.6299 13.3018 -5.82082 CTL2 6939 6943 6944 6945 -0.18 6945 6943 H91 SLES 1 20.3174 13.1428 -4.95913 HAL2 6942 0 0 0 0.09 6946 6944 H92 SLES 1 20.0349 12.7386 -6.69163 HAL2 6942 0 0 0 0.09 6947 6945 C10 SLES 1 18.2336 12.7406 -5.46201 CTL2 6942 6946 6947 6948 -0.18 6948 6946 H10 SLES 1 17.8382 13.2882 -4.57626 HAL2 6945 0 0 0 0.09 6949 6947 H10 SLES 1 17.5399 12.919 -6.31462 HAL2 6945 0 0 0 0.09 6950 6948 C11 SLES 1 18.2671 11.2218 -5.1452 CTL2 6945 6949 6950 6951 -0.18 6951 6949 H11 SLES 1 18.9569 11.0494 -4.28754 HAL2 6948 0 0 0 0.09 6952 6950 H11 SLES 1 18.6799 10.6805 -6.02696 HAL2 6948 0 0 0 0.09 6953 6951 C12 SLES 1 16.8787 10.6252 -4.79758 CTL3 6948 6952 6953 6954 -0.27 6954 6952 H12 SLES 1 16.8927 10.1827 -3.77709 HAL3 6951 0 0 0 0.09 6955 6953 H12 SLES 1 16.6069 9.82905 -5.52537 HAL3 6951 0 0 0 0.09 6956 6954 H12 SLES 1 16.0982 11.4163 -4.83007 HAL3 6951 0 0 0 0.09 6957 6955 NA SLES 1 41.4608 9.92791 -11.5983 NA 0 0 0 0 1 6958 6956 S SLES 1 39.5282 12.8245 -10.4914 SL 6957 6958 6959 6960 1.33 6959 6957 OS1 SLES 1 38.9088 11.275 -10.6431 OSL 6956 6961 0 0 -0.28 6960 6958 OS2 SLES 1 40.6381 12.7317 -9.5657 O2L 6956 0 0 0 -0.65 6961 6959 OS3 SLES 1 40.0122 13.1952 -11.8047 O2L 6956 0 0 0 -0.65 6962 6960 OS4 SLES 1 38.5712 13.8125 -10.0198 O2L 6956 0 0 0 -0.65 6963 6961 C2 SLES 1 37.5374 11.2084 -10.0643 CC32A 6957 6962 6963 6964 -0.11 6964 6962 H2A SLES 1 37.54 11.5607 -8.99513 HCA2 6961 0 0 0 0.09 6965 6963 H2B SLES 1 36.8625 11.8776 -10.6667 HCA2 6961 0 0 0 0.09 6966 6964 C1 SLES 1 37.0053 9.69915 -10.1344 CC32A 6961 6965 6966 6967 -0.01 6967 6965 H1B SLES 1 37.7193 9.02086 -9.61299 HCA2 6964 0 0 0 0.09 6968 6966 H1A SLES 1 36.9158 9.37732 -11.1982 HCA2 6964 0 0 0 0.09 6969 6967 O1 SLES 1 35.7055 9.34241 -9.53349 OC30A 6964 6968 0 0 -0.34 6970 6968 C2 SLES 1 34.7969 10.4315 -9.2673 CC32A 6967 6969 6970 6971 -0.01 6971 6969 H2A SLES 1 35.3814 11.0431 -8.55241 HCA2 6968 0 0 0 0.09 6972 6970 H2B SLES 1 34.7623 10.9597 -10.2467 HCA2 6968 0 0 0 0.09 6973 6971 C1 SLES 1 33.3461 10.2404 -8.7232 CC32A 6968 6972 6973 6974 -0.01 6974 6972 H1B SLES 1 33.3551 10.2715 -7.6119 HCA2 6971 0 0 0 0.09 6975 6973 H1A SLES 1 32.704 11.0633 -9.09628 HCA2 6971 0 0 0 0.09 6976 6974 O1 SLES 1 32.5625 9.02233 -8.93564 OC30A 6971 6975 0 0 -0.34 6977 6975 C1 SLES 1 31.1028 9.22242 -8.99428 CTL2 6974 6976 6977 6978 -0.18 6978 6976 H11 SLES 1 30.9028 10.2598 -8.67026 HAL2 6975 0 0 0 0.09 6979 6977 H12 SLES 1 30.9173 9.14859 -10.0858 HAL2 6975 0 0 0 0.09 6980 6978 C2 SLES 1 30.1462 8.23147 -8.22028 CTL2 6975 6979 6980 6981 -0.18 6981 6979 H21 SLES 1 30.7622 7.48709 -7.66782 HAL2 6978 0 0 0 0.09 6982 6980 H22 SLES 1 29.5233 7.68018 -8.95827 HAL2 6978 0 0 0 0.09 6983 6981 C3 SLES 1 29.1846 8.99006 -7.18181 CTL2 6978 6982 6983 6984 -0.18 6984 6982 H31 SLES 1 29.5711 8.8325 -6.15024 HAL2 6981 0 0 0 0.09 6985 6983 H32 SLES 1 29.2118 10.0778 -7.39249 HAL2 6981 0 0 0 0.09 6986 6984 C4 SLES 1 27.682 8.49038 -7.24971 CTL2 6981 6985 6986 6987 -0.18 6987 6985 H41 SLES 1 27.4914 7.80674 -6.39622 HAL2 6984 0 0 0 0.09 6988 6986 H42 SLES 1 27.5305 7.91591 -8.18889 HAL2 6984 0 0 0 0.09 6989 6987 C5 SLES 1 26.6326 9.69089 -7.20166 CTL2 6984 6988 6989 6990 -0.18 6990 6988 H51 SLES 1 27.1381 10.5994 -6.80607 HAL2 6987 0 0 0 0.09 6991 6989 H52 SLES 1 26.2892 9.91409 -8.23761 HAL2 6987 0 0 0 0.09 6992 6990 C6 SLES 1 25.378 9.37384 -6.30335 CTL2 6987 6991 6992 6993 -0.18 6993 6991 H61 SLES 1 25.6843 9.39107 -5.23331 HAL2 6990 0 0 0 0.09 6994 6992 H62 SLES 1 24.6137 10.1716 -6.45428 HAL2 6990 0 0 0 0.09 6995 6993 C7 SLES 1 24.7364 7.98757 -6.62717 CTL2 6990 6994 6995 6996 -0.18 6996 6994 H71 SLES 1 25.3172 7.19002 -6.11308 HAL2 6993 0 0 0 0.09 6997 6995 H72 SLES 1 24.798 7.80514 -7.72319 HAL2 6993 0 0 0 0.09 6998 6996 C8 SLES 1 23.2552 7.89714 -6.18279 CTL2 6993 6997 6998 6999 -0.18 6999 6997 H81 SLES 1 23.1605 8.29747 -5.14733 HAL2 6996 0 0 0 0.09 7000 6998 H82 SLES 1 22.6342 8.53179 -6.85521 HAL2 6996 0 0 0 0.09 7001 6999 C9 SLES 1 22.7152 6.44538 -6.21549 CTL2 6996 7000 7001 7002 -0.18 7002 7000 H91 SLES 1 23.3546 5.80537 -5.56603 HAL2 6999 0 0 0 0.09 7003 7001 H92 SLES 1 22.7842 6.05591 -7.25618 HAL2 6999 0 0 0 0.09 7004 7002 C10 SLES 1 21.2481 6.34422 -5.73514 CTL2 6999 7003 7004 7005 -0.18 7005 7003 H10 SLES 1 21.1828 6.71208 -4.68576 HAL2 7002 0 0 0 0.09 7006 7004 H10 SLES 1 20.6114 7.00109 -6.37013 HAL2 7002 0 0 0 0.09 7007 7005 C11 SLES 1 20.7008 4.89355 -5.79835 CTL2 7002 7006 7007 7008 -0.18 7008 7006 H11 SLES 1 21.3367 4.24194 -5.15636 HAL2 7005 0 0 0 0.09 7009 7007 H11 SLES 1 20.7847 4.52384 -6.84582 HAL2 7005 0 0 0 0.09 7010 7008 C12 SLES 1 19.2258 4.76144 -5.33854 CTL3 7005 7009 7010 7011 -0.27 7011 7009 H12 SLES 1 19.1513 4.06549 -4.47399 HAL3 7008 0 0 0 0.09 7012 7010 H12 SLES 1 18.5967 4.36659 -6.16659 HAL3 7008 0 0 0 0.09 7013 7011 H12 SLES 1 18.8258 5.75227 -5.03122 HAL3 7008 0 0 0 0.09 7014 7012 NA SLES 1 42.1574 -3.30866 -12.8018 NA 0 0 0 0 1 7015 7013 S SLES 1 41.4989 -0.386237 -10.7099 SL 7014 7015 7016 7017 1.33 7016 7014 OS1 SLES 1 40.3251 -1.46429 -11.2268 OSL 7013 7018 0 0 -0.28 7017 7015 OS2 SLES 1 42.4753 -1.16588 -9.97745 O2L 7013 0 0 0 -0.65 7018 7016 OS3 SLES 1 42.1023 0.1576 -11.9085 O2L 7013 0 0 0 -0.65 7019 7017 OS4 SLES 1 40.9993 0.693531 -9.87386 O2L 7013 0 0 0 -0.65 7020 7018 C2 SLES 1 39.0309 -1.18524 -10.543 CC32A 7014 7019 7020 7021 -0.11 7021 7019 H2A SLES 1 39.1604 -1.20403 -9.42494 HCA2 7018 0 0 0 0.09 7022 7020 H2B SLES 1 38.6771 -0.162602 -10.8516 HCA2 7018 0 0 0 0.09 7023 7021 C1 SLES 1 37.9523 -2.28574 -10.9805 CC32A 7018 7022 7023 7024 -0.01 7024 7022 H1B SLES 1 38.3395 -3.30625 -10.7558 HCA2 7021 0 0 0 0.09 7025 7023 H1A SLES 1 37.7547 -2.20936 -12.0751 HCA2 7021 0 0 0 0.09 7026 7024 O1 SLES 1 36.6106 -2.29425 -10.3661 OC30A 7021 7025 0 0 -0.34 7027 7025 C2 SLES 1 36.1969 -1.08146 -9.70227 CC32A 7024 7026 7027 7028 -0.01 7028 7026 H2A SLES 1 36.9668 -0.983178 -8.91206 HCA2 7025 0 0 0 0.09 7029 7027 H2B SLES 1 36.3811 -0.307291 -10.4808 HCA2 7025 0 0 0 0.09 7030 7028 C1 SLES 1 34.7814 -0.871058 -9.07819 CC32A 7025 7029 7030 7031 -0.01 7031 7029 H1B SLES 1 34.7909 -1.18626 -8.01207 HCA2 7028 0 0 0 0.09 7032 7030 H1A SLES 1 34.5155 0.203829 -9.12833 HCA2 7028 0 0 0 0.09 7033 7031 O1 SLES 1 33.5864 -1.57889 -9.54048 OC30A 7028 7032 0 0 -0.34 7034 7032 C1 SLES 1 32.3216 -0.838781 -9.37807 CTL2 7031 7033 7034 7035 -0.18 7035 7033 H11 SLES 1 32.5394 0.0455374 -8.75221 HAL2 7032 0 0 0 0.09 7036 7034 H12 SLES 1 32.1327 -0.500853 -10.418 HAL2 7032 0 0 0 0.09 7037 7035 C2 SLES 1 31.0462 -1.58394 -8.81727 CTL2 7032 7036 7037 7038 -0.18 7038 7036 H21 SLES 1 31.3171 -2.63506 -8.57108 HAL2 7035 0 0 0 0.09 7039 7037 H22 SLES 1 30.2648 -1.60795 -9.60807 HAL2 7035 0 0 0 0.09 7040 7038 C3 SLES 1 30.4472 -0.876287 -7.50623 CTL2 7035 7039 7040 7041 -0.18 7041 7039 H31 SLES 1 30.7312 -1.47379 -6.61145 HAL2 7038 0 0 0 0.09 7042 7040 H32 SLES 1 30.8992 0.130057 -7.40036 HAL2 7038 0 0 0 0.09 7043 7041 C4 SLES 1 28.8695 -0.729852 -7.54701 CTL2 7038 7042 7043 7044 -0.18 7044 7042 H41 SLES 1 28.4186 -1.51734 -6.90774 HAL2 7041 0 0 0 0.09 7045 7043 H42 SLES 1 28.5149 -0.889468 -8.58809 HAL2 7041 0 0 0 0.09 7046 7044 C5 SLES 1 28.372 0.699799 -7.04367 CTL2 7041 7045 7046 7047 -0.18 7047 7045 H51 SLES 1 29.1883 1.18504 -6.4643 HAL2 7044 0 0 0 0.09 7048 7046 H52 SLES 1 28.1533 1.33998 -7.92871 HAL2 7044 0 0 0 0.09 7049 7047 C6 SLES 1 27.0844 0.618341 -6.13981 CTL2 7044 7048 7049 7050 -0.18 7050 7048 H61 SLES 1 27.3625 0.192176 -5.14979 HAL2 7047 0 0 0 0.09 7051 7049 H62 SLES 1 26.694 1.6493 -5.97205 HAL2 7047 0 0 0 0.09 7052 7050 C7 SLES 1 25.9555 -0.256015 -6.77172 CTL2 7047 7051 7052 7053 -0.18 7053 7051 H71 SLES 1 26.1735 -1.32879 -6.57332 HAL2 7050 0 0 0 0.09 7054 7052 H72 SLES 1 25.9517 -0.104398 -7.87415 HAL2 7050 0 0 0 0.09 7055 7053 C8 SLES 1 24.5524 0.08436 -6.21059 CTL2 7050 7054 7055 7056 -0.18 7056 7054 H81 SLES 1 24.6113 0.154394 -5.10018 HAL2 7053 0 0 0 0.09 7057 7055 H82 SLES 1 24.2352 1.07789 -6.6017 HAL2 7053 0 0 0 0.09 7058 7056 C9 SLES 1 23.4885 -0.974229 -6.59516 CTL2 7053 7057 7058 7059 -0.18 7059 7057 H91 SLES 1 23.8207 -1.97236 -6.22949 HAL2 7056 0 0 0 0.09 7060 7058 H92 SLES 1 23.4102 -1.02357 -7.70464 HAL2 7056 0 0 0 0.09 7061 7059 C10 SLES 1 22.0937 -0.659499 -6.00438 CTL2 7056 7060 7061 7062 -0.18 7062 7060 H10 SLES 1 22.167 -0.63316 -4.8932 HAL2 7059 0 0 0 0.09 7063 7061 H10 SLES 1 21.7705 0.34792 -6.35178 HAL2 7059 0 0 0 0.09 7064 7062 C11 SLES 1 21.0239 -1.70512 -6.41689 CTL2 7059 7063 7064 7065 -0.18 7065 7063 H11 SLES 1 21.3484 -2.70978 -6.06124 HAL2 7062 0 0 0 0.09 7066 7064 H11 SLES 1 20.9672 -1.74067 -7.52884 HAL2 7062 0 0 0 0.09 7067 7065 C12 SLES 1 19.61 -1.40825 -5.8536 CTL3 7062 7066 7067 7068 -0.27 7068 7066 H12 SLES 1 19.2611 -2.2534 -5.22012 HAL3 7065 0 0 0 0.09 7069 7067 H12 SLES 1 18.8849 -1.2655 -6.68496 HAL3 7065 0 0 0 0.09 7070 7068 H12 SLES 1 19.6259 -0.484686 -5.23481 HAL3 7065 0 0 0 0.09 7071 7069 NA SLES 1 38.8497 -15.8287 -13.8649 NA 0 0 0 0 1 7072 7070 S SLES 1 39.1315 -13.6142 -10.9723 SL 7071 7072 7073 7074 1.33 7073 7071 OS1 SLES 1 37.6984 -13.9461 -11.7743 OSL 7070 7075 0 0 -0.28 7074 7072 OS2 SLES 1 39.6553 -14.8891 -10.5275 O2L 7070 0 0 0 -0.65 7075 7073 OS3 SLES 1 40.0196 -13.034 -11.9578 O2L 7070 0 0 0 -0.65 7076 7074 OS4 SLES 1 38.9933 -12.7131 -9.83939 O2L 7070 0 0 0 -0.65 7077 7075 C2 SLES 1 36.5422 -13.3883 -11.0177 CC32A 7071 7076 7077 7078 -0.11 7078 7076 H2A SLES 1 36.5355 -13.7753 -9.96064 HCA2 7075 0 0 0 0.09 7079 7077 H2B SLES 1 36.6378 -12.2673 -10.9947 HCA2 7075 0 0 0 0.09 7080 7078 C1 SLES 1 35.1797 -13.8001 -11.7524 CC32A 7075 7079 7080 7081 -0.01 7081 7079 H1B SLES 1 35.1245 -14.9083 -11.8553 HCA2 7078 0 0 0 0.09 7082 7080 H1A SLES 1 35.1432 -13.3426 -12.7686 HCA2 7078 0 0 0 0.09 7083 7081 O1 SLES 1 33.8781 -13.4549 -11.1487 OC30A 7078 7082 0 0 -0.34 7084 7082 C2 SLES 1 33.8877 -12.4222 -10.1407 CC32A 7081 7083 7084 7085 -0.01 7085 7083 H2A SLES 1 34.5488 -12.8653 -9.37032 HCA2 7082 0 0 0 0.09 7086 7084 H2B SLES 1 34.4333 -11.5958 -10.6493 HCA2 7082 0 0 0 0.09 7087 7085 C1 SLES 1 32.6004 -11.8595 -9.45992 CC32A 7082 7086 7087 7088 -0.01 7088 7086 H1B SLES 1 32.3763 -12.4434 -8.5407 HCA2 7085 0 0 0 0.09 7089 7087 H1A SLES 1 32.7692 -10.8014 -9.17618 HCA2 7085 0 0 0 0.09 7090 7088 O1 SLES 1 31.2825 -11.8753 -10.0969 OC30A 7085 7089 0 0 -0.34 7091 7089 C1 SLES 1 30.3835 -10.7771 -9.69688 CTL2 7088 7090 7091 7092 -0.18 7092 7090 H11 SLES 1 30.8529 -10.2692 -8.83498 HAL2 7089 0 0 0 0.09 7093 7091 H12 SLES 1 30.4486 -10.1103 -10.5814 HAL2 7089 0 0 0 0.09 7094 7092 C2 SLES 1 28.8691 -11.0864 -9.36956 CTL2 7089 7093 7094 7095 -0.18 7095 7093 H21 SLES 1 28.693 -12.1817 -9.45943 HAL2 7092 0 0 0 0.09 7096 7094 H22 SLES 1 28.2257 -10.5736 -10.1177 HAL2 7092 0 0 0 0.09 7097 7095 C3 SLES 1 28.448 -10.607 -7.89602 CTL2 7092 7096 7097 7098 -0.18 7098 7096 H31 SLES 1 28.3873 -11.4966 -7.23027 HAL2 7095 0 0 0 0.09 7099 7097 H32 SLES 1 29.234 -9.93603 -7.49589 HAL2 7095 0 0 0 0.09 7100 7098 C4 SLES 1 27.0578 -9.84629 -7.86538 CTL2 7095 7099 7100 7101 -0.18 7101 7099 H41 SLES 1 26.2767 -10.5395 -7.48922 HAL2 7098 0 0 0 0.09 7102 7100 H42 SLES 1 26.7818 -9.54856 -8.89989 HAL2 7098 0 0 0 0.09 7103 7101 C5 SLES 1 27.0896 -8.54527 -6.94282 CTL2 7098 7102 7103 7104 -0.18 7104 7102 H51 SLES 1 27.9625 -8.60832 -6.25616 HAL2 7101 0 0 0 0.09 7105 7103 H52 SLES 1 27.2255 -7.64688 -7.58733 HAL2 7101 0 0 0 0.09 7106 7104 C6 SLES 1 25.7794 -8.3679 -6.08649 CTL2 7101 7105 7106 7107 -0.18 7107 7105 H61 SLES 1 25.7682 -9.13269 -5.27777 HAL2 7104 0 0 0 0.09 7108 7106 H62 SLES 1 25.794 -7.36143 -5.60663 HAL2 7104 0 0 0 0.09 7109 7107 C7 SLES 1 24.4771 -8.50669 -6.93675 CTL2 7104 7108 7109 7110 -0.18 7110 7108 H71 SLES 1 24.2494 -9.5865 -7.07789 HAL2 7107 0 0 0 0.09 7111 7109 H72 SLES 1 24.6481 -8.05762 -7.94045 HAL2 7107 0 0 0 0.09 7112 7110 C8 SLES 1 23.2571 -7.8173 -6.27655 CTL2 7107 7111 7112 7113 -0.18 7113 7111 H81 SLES 1 23.2201 -8.09675 -5.19862 HAL2 7110 0 0 0 0.09 7114 7112 H82 SLES 1 23.3841 -6.71265 -6.3415 HAL2 7110 0 0 0 0.09 7115 7113 C9 SLES 1 21.9184 -8.21337 -6.94836 CTL2 7110 7114 7115 7116 -0.18 7116 7114 H91 SLES 1 21.8061 -9.32072 -6.90928 HAL2 7113 0 0 0 0.09 7117 7115 H92 SLES 1 21.9454 -7.90852 -8.0188 HAL2 7113 0 0 0 0.09 7118 7116 C10 SLES 1 20.6932 -7.55816 -6.26787 CTL2 7113 7117 7118 7119 -0.18 7119 7117 H10 SLES 1 20.6526 -7.88162 -5.20274 HAL2 7116 0 0 0 0.09 7120 7118 H10 SLES 1 20.8153 -6.45147 -6.28687 HAL2 7116 0 0 0 0.09 7121 7119 C11 SLES 1 19.3569 -7.93258 -6.96225 CTL2 7116 7120 7121 7122 -0.18 7122 7120 H11 SLES 1 19.2362 -9.03972 -6.93457 HAL2 7119 0 0 0 0.09 7123 7121 H11 SLES 1 19.4092 -7.62344 -8.03119 HAL2 7119 0 0 0 0.09 7124 7122 C12 SLES 1 18.1103 -7.27758 -6.31308 CTL3 7119 7123 7124 7125 -0.27 7125 7123 H12 SLES 1 17.4017 -8.05965 -5.96161 HAL3 7122 0 0 0 0.09 7126 7124 H12 SLES 1 17.5862 -6.62973 -7.04994 HAL3 7122 0 0 0 0.09 7127 7125 H12 SLES 1 18.4097 -6.65383 -5.44278 HAL3 7122 0 0 0 0.09 7128 7126 NA SLES 1 32.0756 -26.5767 -14.728 NA 0 0 0 0 1 7129 7127 S SLES 1 32.6005 -25.4271 -11.2997 SL 7128 7129 7130 7131 1.33 7130 7128 OS1 SLES 1 31.3285 -24.9421 -12.2765 OSL 7127 7132 0 0 -0.28 7131 7129 OS2 SLES 1 32.5181 -26.8701 -11.2084 O2L 7127 0 0 0 -0.65 7132 7130 OS3 SLES 1 33.8113 -25.0463 -11.9965 O2L 7127 0 0 0 -0.65 7133 7131 OS4 SLES 1 32.5928 -24.8452 -9.96713 O2L 7127 0 0 0 -0.65 7134 7132 C2 SLES 1 30.3404 -24.1563 -11.4851 CC32A 7128 7133 7134 7135 -0.11 7135 7133 H2A SLES 1 29.9884 -24.7449 -10.5924 HCA2 7132 0 0 0 0.09 7136 7134 H2B SLES 1 30.839 -23.2135 -11.1262 HCA2 7132 0 0 0 0.09 7137 7135 C1 SLES 1 29.09 -23.7865 -12.4155 CC32A 7132 7136 7137 7138 -0.01 7138 7136 H1B SLES 1 28.6481 -24.7157 -12.8435 HCA2 7135 0 0 0 0.09 7139 7137 H1A SLES 1 29.421 -23.1278 -13.252 HCA2 7135 0 0 0 0.09 7140 7138 O1 SLES 1 27.92 -23.0922 -11.8439 OC30A 7135 7139 0 0 -0.34 7141 7139 C2 SLES 1 28.1193 -22.4254 -10.5797 CC32A 7138 7140 7141 7142 -0.01 7142 7140 H2A SLES 1 28.4081 -23.2692 -9.92282 HCA2 7139 0 0 0 0.09 7143 7141 H2B SLES 1 29.0191 -21.8005 -10.7775 HCA2 7139 0 0 0 0.09 7144 7142 C1 SLES 1 27.0283 -21.5635 -9.86959 CC32A 7139 7143 7144 7145 -0.01 7145 7143 H1B SLES 1 26.4322 -22.2038 -9.18354 HCA2 7142 0 0 0 0.09 7146 7144 H1A SLES 1 27.5202 -20.7679 -9.27496 HCA2 7142 0 0 0 0.09 7147 7145 O1 SLES 1 25.9468 -20.8864 -10.587 OC30A 7142 7146 0 0 -0.34 7148 7146 C1 SLES 1 25.4611 -19.6455 -9.95583 CTL2 7145 7147 7148 7149 -0.18 7149 7147 H11 SLES 1 25.9114 -19.5947 -8.94791 HAL2 7146 0 0 0 0.09 7150 7148 H12 SLES 1 25.9369 -18.8752 -10.5972 HAL2 7146 0 0 0 0.09 7151 7149 C2 SLES 1 23.9077 -19.3749 -9.85679 CTL2 7146 7150 7151 7152 -0.18 7152 7150 H21 SLES 1 23.3583 -20.2463 -10.2783 HAL2 7149 0 0 0 0.09 7153 7151 H22 SLES 1 23.6565 -18.4823 -10.4706 HAL2 7149 0 0 0 0.09 7154 7152 C3 SLES 1 23.4211 -19.1293 -8.34636 CTL2 7149 7153 7154 7155 -0.18 7155 7153 H31 SLES 1 22.9084 -20.0458 -7.9784 HAL2 7152 0 0 0 0.09 7156 7154 H32 SLES 1 24.3079 -18.9552 -7.70488 HAL2 7152 0 0 0 0.09 7157 7155 C4 SLES 1 22.4345 -17.8968 -8.20564 CTL2 7152 7156 7157 7158 -0.18 7158 7156 H41 SLES 1 21.3955 -18.2765 -8.11383 HAL2 7155 0 0 0 0.09 7159 7157 H42 SLES 1 22.4922 -17.2763 -9.12579 HAL2 7155 0 0 0 0.09 7160 7158 C5 SLES 1 22.77 -16.9825 -6.94223 CTL2 7155 7159 7160 7161 -0.18 7161 7159 H51 SLES 1 23.4084 -17.5584 -6.23644 HAL2 7158 0 0 0 0.09 7162 7160 H52 SLES 1 23.3502 -16.094 -7.28132 HAL2 7158 0 0 0 0.09 7163 7161 C6 SLES 1 21.4816 -16.4923 -6.17995 CTL2 7158 7162 7163 7164 -0.18 7164 7162 H61 SLES 1 21.0328 -17.353 -5.63517 HAL2 7161 0 0 0 0.09 7165 7163 H62 SLES 1 21.7767 -15.7254 -5.4261 HAL2 7161 0 0 0 0.09 7166 7164 C7 SLES 1 20.4093 -15.8794 -7.13541 CTL2 7161 7165 7166 7167 -0.18 7167 7165 H71 SLES 1 19.8285 -16.7038 -7.60533 HAL2 7164 0 0 0 0.09 7168 7166 H72 SLES 1 20.9234 -15.316 -7.94577 HAL2 7164 0 0 0 0.09 7169 7167 C8 SLES 1 19.4304 -14.9287 -6.4023 CTL2 7164 7168 7169 7170 -0.18 7170 7168 H81 SLES 1 19.0869 -15.4151 -5.46063 HAL2 7167 0 0 0 0.09 7171 7169 H82 SLES 1 19.9684 -13.9923 -6.12949 HAL2 7167 0 0 0 0.09 7172 7170 C9 SLES 1 18.1955 -14.5698 -7.26629 CTL2 7167 7171 7172 7173 -0.18 7173 7171 H91 SLES 1 17.675 -15.5085 -7.56334 HAL2 7170 0 0 0 0.09 7174 7172 H92 SLES 1 18.538 -14.0586 -8.19417 HAL2 7170 0 0 0 0.09 7175 7173 C10 SLES 1 17.1954 -13.6518 -6.52431 CTL2 7170 7174 7175 7176 -0.18 7176 7174 H10 SLES 1 16.8347 -14.1726 -5.60804 HAL2 7173 0 0 0 0.09 7177 7175 H10 SLES 1 17.7208 -12.7225 -6.20753 HAL2 7173 0 0 0 0.09 7178 7176 C11 SLES 1 15.975 -13.2695 -7.40324 CTL2 7173 7177 7178 7179 -0.18 7179 7177 H11 SLES 1 15.449 -14.2018 -7.71177 HAL2 7176 0 0 0 0.09 7180 7178 H11 SLES 1 16.3418 -12.7653 -8.32639 HAL2 7176 0 0 0 0.09 7181 7179 C12 SLES 1 14.9613 -12.3356 -6.69287 CTL3 7176 7180 7181 7182 -0.27 7182 7180 H12 SLES 1 13.9599 -12.8174 -6.64484 HAL3 7179 0 0 0 0.09 7183 7181 H12 SLES 1 14.8665 -11.3755 -7.24665 HAL3 7179 0 0 0 0.09 7184 7182 H12 SLES 1 15.2984 -12.1151 -5.65661 HAL3 7179 0 0 0 0.09 7185 7183 NA SLES 1 22.5542 -34.752 -15.3522 NA 0 0 0 0 1 7186 7184 S SLES 1 22.5697 -34.5047 -11.7068 SL 7185 7186 7187 7188 1.33 7187 7185 OS1 SLES 1 21.8647 -33.3797 -12.7289 OSL 7184 7189 0 0 -0.28 7188 7186 OS2 SLES 1 21.9377 -35.7746 -11.999 O2L 7184 0 0 0 -0.65 7189 7187 OS3 SLES 1 23.9704 -34.5568 -12.07 O2L 7184 0 0 0 -0.65 7190 7188 OS4 SLES 1 22.4368 -34.1994 -10.2913 O2L 7184 0 0 0 -0.65 7191 7189 C2 SLES 1 21.071 -32.3938 -11.9425 CC32A 7185 7190 7191 7192 -0.11 7192 7190 H2A SLES 1 20.3097 -32.9185 -11.3006 HCA2 7189 0 0 0 0.09 7193 7191 H2B SLES 1 21.7736 -31.8185 -11.278 HCA2 7189 0 0 0 0.09 7194 7192 C1 SLES 1 20.3307 -31.3885 -12.9461 CC32A 7189 7193 7194 7195 -0.01 7195 7193 H1B SLES 1 19.7015 -31.964 -13.6635 HCA2 7192 0 0 0 0.09 7196 7194 H1A SLES 1 21.0849 -30.8015 -13.5203 HCA2 7192 0 0 0 0.09 7197 7195 O1 SLES 1 19.3972 -30.3722 -12.4229 OC30A 7192 7196 0 0 -0.34 7198 7196 C2 SLES 1 19.498 -30.0664 -11.0162 CC32A 7195 7197 7198 7199 -0.01 7199 7197 H2A SLES 1 19.2745 -31.0486 -10.5554 HCA2 7196 0 0 0 0.09 7200 7198 H2B SLES 1 20.5837 -29.852 -10.8948 HCA2 7196 0 0 0 0.09 7201 7199 C1 SLES 1 18.6616 -28.9562 -10.3055 CC32A 7196 7200 7201 7202 -0.01 7202 7200 H1B SLES 1 17.7162 -29.3913 -9.91452 HCA2 7199 0 0 0 0.09 7203 7201 H1A SLES 1 19.2432 -28.5482 -9.45466 HCA2 7199 0 0 0 0.09 7204 7202 O1 SLES 1 18.1313 -27.7817 -10.9998 OC30A 7199 7203 0 0 -0.34 7205 7203 C1 SLES 1 17.9961 -26.573 -10.1662 CTL2 7202 7204 7205 7206 -0.18 7206 7204 H11 SLES 1 18.1583 -26.8807 -9.11728 HAL2 7203 0 0 0 0.09 7207 7205 H12 SLES 1 18.8709 -25.9787 -10.502 HAL2 7203 0 0 0 0.09 7208 7206 C2 SLES 1 16.6844 -25.6978 -10.2652 CTL2 7203 7207 7208 7209 -0.18 7209 7207 H21 SLES 1 15.979 -26.1778 -10.9799 HAL2 7206 0 0 0 0.09 7210 7208 H22 SLES 1 16.9485 -24.6949 -10.6662 HAL2 7206 0 0 0 0.09 7211 7209 C3 SLES 1 15.9538 -25.5219 -8.84615 CTL2 7206 7210 7211 7212 -0.18 7212 7210 H31 SLES 1 15.0619 -26.1866 -8.81408 HAL2 7209 0 0 0 0.09 7213 7211 H32 SLES 1 16.6454 -25.842 -8.0415 HAL2 7209 0 0 0 0.09 7214 7212 C4 SLES 1 15.494 -24.031 -8.56636 CTL2 7209 7213 7214 7215 -0.18 7215 7213 H41 SLES 1 14.4023 -23.9509 -8.75016 HAL2 7212 0 0 0 0.09 7216 7214 H42 SLES 1 16.0115 -23.3502 -9.2761 HAL2 7212 0 0 0 0.09 7217 7215 C5 SLES 1 15.8084 -23.5609 -7.07477 CTL2 7212 7216 7217 7218 -0.18 7218 7216 H51 SLES 1 15.9837 -24.4578 -6.44062 HAL2 7215 0 0 0 0.09 7219 7217 H52 SLES 1 16.7427 -22.9542 -7.07507 HAL2 7215 0 0 0 0.09 7220 7218 C6 SLES 1 14.6446 -22.7087 -6.44167 CTL2 7215 7219 7220 7221 -0.18 7221 7219 H61 SLES 1 13.7852 -23.3793 -6.21626 HAL2 7218 0 0 0 0.09 7222 7220 H62 SLES 1 14.999 -22.2701 -5.47964 HAL2 7218 0 0 0 0.09 7223 7221 C7 SLES 1 14.1598 -21.5565 -7.37743 CTL2 7218 7222 7223 7224 -0.18 7224 7222 H71 SLES 1 13.4563 -21.9735 -8.1317 HAL2 7221 0 0 0 0.09 7225 7223 H72 SLES 1 15.0354 -21.1356 -7.92012 HAL2 7221 0 0 0 0.09 7226 7224 C8 SLES 1 13.4506 -20.4175 -6.60335 CTL2 7221 7225 7226 7227 -0.18 7227 7225 H81 SLES 1 12.722 -20.8625 -5.88736 HAL2 7224 0 0 0 0.09 7228 7226 H82 SLES 1 14.2079 -19.8504 -6.01573 HAL2 7224 0 0 0 0.09 7229 7227 C9 SLES 1 12.7029 -19.4392 -7.54371 CTL2 7224 7228 7229 7230 -0.18 7230 7228 H91 SLES 1 11.9664 -20.0118 -8.15207 HAL2 7227 0 0 0 0.09 7231 7229 H92 SLES 1 13.4361 -18.974 -8.24049 HAL2 7227 0 0 0 0.09 7232 7230 C10 SLES 1 11.9602 -18.3221 -6.77306 CTL2 7227 7231 7232 7233 -0.18 7233 7231 H10 SLES 1 11.2102 -18.7864 -6.09283 HAL2 7230 0 0 0 0.09 7234 7232 H10 SLES 1 12.6925 -17.7632 -6.14746 HAL2 7230 0 0 0 0.09 7235 7233 C11 SLES 1 11.2381 -17.3265 -7.71926 CTL2 7230 7234 7235 7236 -0.18 7236 7234 H11 SLES 1 10.502 -17.8892 -8.33788 HAL2 7233 0 0 0 0.09 7237 7235 H11 SLES 1 11.9892 -16.8784 -8.40921 HAL2 7233 0 0 0 0.09 7238 7236 C12 SLES 1 10.4973 -16.1842 -6.97697 CTL3 7233 7237 7238 7239 -0.27 7239 7237 H12 SLES 1 9.41249 -16.2038 -7.222 HAL3 7236 0 0 0 0.09 7240 7238 H12 SLES 1 10.9108 -15.1962 -7.27742 HAL3 7236 0 0 0 0.09 7241 7239 H12 SLES 1 10.6143 -16.2976 -5.87715 HAL3 7236 0 0 0 0.09 7242 7240 NA SLES 1 11.1006 -39.77 -15.7227 NA 0 0 0 0 1 7243 7241 S SLES 1 10.1333 -39.8183 -12.1996 SL 7242 7243 7244 7245 1.33 7244 7242 OS1 SLES 1 10.2438 -38.4306 -13.132 OSL 7241 7246 0 0 -0.28 7245 7243 OS2 SLES 1 9.18287 -40.6839 -12.8667 O2L 7241 0 0 0 -0.65 7246 7244 OS3 SLES 1 11.4487 -40.4232 -12.2201 O2L 7241 0 0 0 -0.65 7247 7245 OS4 SLES 1 9.71533 -39.5896 -10.8257 O2L 7241 0 0 0 -0.65 7248 7246 C2 SLES 1 9.69062 -37.2638 -12.3885 CC32A 7242 7247 7248 7249 -0.11 7249 7247 H2A SLES 1 8.63444 -37.4685 -12.0572 HCA2 7246 0 0 0 0.09 7250 7248 H2B SLES 1 10.3292 -37.0841 -11.4795 HCA2 7246 0 0 0 0.09 7251 7249 C1 SLES 1 9.7193 -35.971 -13.3339 CC32A 7246 7250 7251 7252 -0.01 7252 7250 H1B SLES 1 9.16054 -36.1777 -14.2757 HCA2 7249 0 0 0 0.09 7253 7251 H1A SLES 1 10.7729 -35.712 -13.5908 HCA2 7249 0 0 0 0.09 7254 7252 O1 SLES 1 9.13257 -34.6992 -12.8691 OC30A 7249 7253 0 0 -0.34 7255 7253 C2 SLES 1 8.92241 -34.5668 -11.4475 CC32A 7252 7254 7255 7256 -0.01 7256 7254 H2A SLES 1 8.21749 -35.397 -11.2456 HCA2 7253 0 0 0 0.09 7257 7255 H2B SLES 1 9.91994 -34.8342 -11.0318 HCA2 7253 0 0 0 0.09 7258 7256 C1 SLES 1 8.40123 -33.2641 -10.7631 CC32A 7253 7257 7258 7259 -0.01 7259 7257 H1B SLES 1 7.29171 -33.2924 -10.6983 HCA2 7256 0 0 0 0.09 7260 7258 H1A SLES 1 8.81529 -33.199 -9.73693 HCA2 7256 0 0 0 0.09 7261 7259 O1 SLES 1 8.58717 -31.9282 -11.332 OC30A 7256 7260 0 0 -0.34 7262 7260 C1 SLES 1 8.68192 -30.8376 -10.3442 CTL2 7259 7261 7262 7263 -0.18 7263 7261 H11 SLES 1 8.39799 -31.2604 -9.36356 HAL2 7260 0 0 0 0.09 7264 7262 H12 SLES 1 9.77374 -30.6395 -10.3436 HAL2 7260 0 0 0 0.09 7265 7263 C2 SLES 1 7.89352 -29.4905 -10.589 CTL2 7260 7264 7265 7266 -0.18 7266 7264 H21 SLES 1 7.30345 -29.579 -11.5286 HAL2 7263 0 0 0 0.09 7267 7265 H22 SLES 1 8.62438 -28.6627 -10.7204 HAL2 7263 0 0 0 0.09 7268 7266 C3 SLES 1 6.90133 -29.1298 -9.37906 CTL2 7263 7267 7268 7269 -0.18 7269 7267 H31 SLES 1 5.8574 -29.3625 -9.68629 HAL2 7266 0 0 0 0.09 7270 7268 H32 SLES 1 7.14885 -29.7669 -8.50668 HAL2 7266 0 0 0 0.09 7271 7269 C4 SLES 1 6.98205 -27.6079 -8.9439 CTL2 7266 7270 7271 7272 -0.18 7272 7270 H41 SLES 1 6.10947 -27.0665 -9.36543 HAL2 7269 0 0 0 0.09 7273 7271 H42 SLES 1 7.90369 -27.1552 -9.36894 HAL2 7269 0 0 0 0.09 7274 7272 C5 SLES 1 6.99652 -27.4218 -7.35962 CTL2 7269 7273 7274 7275 -0.18 7275 7273 H51 SLES 1 6.62248 -28.3538 -6.88113 HAL2 7272 0 0 0 0.09 7276 7274 H52 SLES 1 8.04624 -27.2618 -7.02282 HAL2 7272 0 0 0 0.09 7277 7275 C6 SLES 1 6.11314 -26.2107 -6.87579 CTL2 7272 7276 7277 7278 -0.18 7278 7276 H61 SLES 1 5.03841 -26.4762 -6.99215 HAL2 7275 0 0 0 0.09 7279 7277 H62 SLES 1 6.30682 -26.0313 -5.79239 HAL2 7275 0 0 0 0.09 7280 7278 C7 SLES 1 6.4017 -24.8964 -7.66804 CTL2 7275 7279 7280 7281 -0.18 7281 7279 H71 SLES 1 5.84885 -24.9257 -8.63305 HAL2 7278 0 0 0 0.09 7282 7280 H72 SLES 1 7.48932 -24.8406 -7.89677 HAL2 7278 0 0 0 0.09 7283 7281 C8 SLES 1 5.98425 -23.6252 -6.88745 CTL2 7278 7282 7283 7284 -0.18 7284 7282 H81 SLES 1 4.96534 -23.7767 -6.46289 HAL2 7281 0 0 0 0.09 7285 7283 H82 SLES 1 6.6905 -23.4701 -6.04023 HAL2 7281 0 0 0 0.09 7286 7284 C9 SLES 1 5.97764 -22.3585 -7.77951 CTL2 7281 7285 7286 7287 -0.18 7287 7285 H91 SLES 1 5.29379 -22.5257 -8.64248 HAL2 7284 0 0 0 0.09 7288 7286 H92 SLES 1 7.00267 -22.192 -8.18087 HAL2 7284 0 0 0 0.09 7289 7287 C10 SLES 1 5.52359 -21.0929 -7.01428 CTL2 7284 7288 7289 7290 -0.18 7290 7288 H10 SLES 1 4.48905 -21.2503 -6.63254 HAL2 7287 0 0 0 0.09 7291 7289 H10 SLES 1 6.19352 -20.9376 -6.13843 HAL2 7287 0 0 0 0.09 7292 7290 C11 SLES 1 5.54765 -19.8208 -7.90257 CTL2 7287 7291 7292 7293 -0.18 7293 7291 H11 SLES 1 4.87093 -19.9784 -8.77337 HAL2 7290 0 0 0 0.09 7294 7292 H11 SLES 1 6.57984 -19.6777 -8.29633 HAL2 7290 0 0 0 0.09 7295 7293 C12 SLES 1 5.11321 -18.5311 -7.15918 CTL3 7290 7294 7295 7296 -0.27 7296 7294 H12 SLES 1 4.22682 -18.0786 -7.65605 HAL3 7293 0 0 0 0.09 7297 7295 H12 SLES 1 5.93959 -17.7865 -7.16178 HAL3 7293 0 0 0 0.09 7298 7296 H12 SLES 1 4.84836 -18.7628 -6.10452 HAL3 7293 0 0 0 0.09 7299 7297 NA SLES 1 -1.39251 -41.2175 -15.8512 NA 0 0 0 0 1 7300 7298 S SLES 1 -3.31518 -40.7776 -12.7755 SL 7299 7300 7301 7302 1.33 7301 7299 OS1 SLES 1 -2.38732 -39.5801 -13.4913 OSL 7298 7303 0 0 -0.28 7302 7300 OS2 SLES 1 -4.28055 -41.1959 -13.7707 O2L 7298 0 0 0 -0.65 7303 7301 OS3 SLES 1 -2.40854 -41.8673 -12.4805 O2L 7298 0 0 0 -0.65 7304 7302 OS4 SLES 1 -4.00206 -40.3635 -11.5625 O2L 7298 0 0 0 -0.65 7305 7303 C2 SLES 1 -2.62897 -38.2707 -12.8224 CC32A 7299 7304 7305 7306 -0.11 7306 7304 H2A SLES 1 -3.72582 -38.0177 -12.8293 HCA2 7303 0 0 0 0.09 7307 7305 H2B SLES 1 -2.27892 -38.3447 -11.7555 HCA2 7303 0 0 0 0.09 7308 7306 C1 SLES 1 -1.80579 -37.1268 -13.5837 CC32A 7303 7307 7308 7309 -0.01 7309 7307 H1B SLES 1 -2.0874 -37.1108 -14.6618 HCA2 7306 0 0 0 0.09 7310 7308 H1A SLES 1 -0.712117 -37.3273 -13.501 HCA2 7306 0 0 0 0.09 7311 7309 O1 SLES 1 -1.95067 -35.7149 -13.1791 OC30A 7306 7310 0 0 -0.34 7312 7310 C2 SLES 1 -2.51008 -35.4725 -11.8711 CC32A 7309 7311 7312 7313 -0.01 7313 7311 H2A SLES 1 -3.51131 -35.9368 -11.9646 HCA2 7310 0 0 0 0.09 7314 7312 H2B SLES 1 -1.87703 -36.1134 -11.2171 HCA2 7310 0 0 0 0.09 7315 7313 C1 SLES 1 -2.65223 -34.0536 -11.2355 CC32A 7310 7314 7315 7316 -0.01 7316 7314 H1B SLES 1 -3.64485 -33.6246 -11.4938 HCA2 7313 0 0 0 0.09 7317 7315 H1A SLES 1 -2.57769 -34.1375 -10.1328 HCA2 7313 0 0 0 0.09 7318 7316 O1 SLES 1 -1.78944 -32.9251 -11.5887 OC30A 7313 7317 0 0 -0.34 7319 7317 C1 SLES 1 -1.57348 -31.9438 -10.5096 CTL2 7316 7318 7319 7320 -0.18 7320 7318 H11 SLES 1 -2.2837 -32.1889 -9.69927 HAL2 7317 0 0 0 0.09 7321 7319 H12 SLES 1 -0.548705 -32.2091 -10.1769 HAL2 7317 0 0 0 0.09 7322 7320 C2 SLES 1 -1.64883 -30.3988 -10.8313 CTL2 7317 7321 7322 7323 -0.18 7323 7321 H21 SLES 1 -1.91141 -30.2622 -11.9042 HAL2 7320 0 0 0 0.09 7324 7322 H22 SLES 1 -0.647377 -29.9454 -10.6635 HAL2 7320 0 0 0 0.09 7325 7323 C3 SLES 1 -2.73167 -29.6339 -9.92525 CTL2 7320 7324 7325 7326 -0.18 7326 7324 H31 SLES 1 -3.63596 -29.4275 -10.54 HAL2 7323 0 0 0 0.09 7327 7325 H32 SLES 1 -3.0334 -30.2943 -9.08798 HAL2 7323 0 0 0 0.09 7328 7326 C4 SLES 1 -2.18982 -28.2673 -9.33285 CTL2 7323 7327 7328 7329 -0.18 7329 7327 H41 SLES 1 -2.60418 -27.4275 -9.92888 HAL2 7326 0 0 0 0.09 7330 7328 H42 SLES 1 -1.08292 -28.2415 -9.42845 HAL2 7326 0 0 0 0.09 7331 7329 C5 SLES 1 -2.58241 -28.0635 -7.80016 CTL2 7326 7330 7331 7332 -0.18 7332 7330 H51 SLES 1 -3.4208 -28.749 -7.54584 HAL2 7329 0 0 0 0.09 7333 7331 H52 SLES 1 -1.71083 -28.3378 -7.16296 HAL2 7329 0 0 0 0.09 7334 7332 C6 SLES 1 -3.01423 -26.5854 -7.46851 CTL2 7329 7333 7334 7335 -0.18 7335 7333 H61 SLES 1 -4.01595 -26.3915 -7.91352 HAL2 7332 0 0 0 0.09 7336 7334 H62 SLES 1 -3.10271 -26.4735 -6.36257 HAL2 7332 0 0 0 0.09 7337 7335 C7 SLES 1 -2.00352 -25.5241 -8.00739 CTL2 7332 7336 7337 7338 -0.18 7338 7336 H71 SLES 1 -2.20268 -25.3493 -9.08792 HAL2 7335 0 0 0 0.09 7339 7337 H72 SLES 1 -0.96948 -25.9233 -7.90884 HAL2 7335 0 0 0 0.09 7340 7338 C8 SLES 1 -2.09735 -24.174 -7.25369 CTL2 7335 7339 7340 7341 -0.18 7341 7339 H81 SLES 1 -3.16901 -23.8853 -7.15573 HAL2 7338 0 0 0 0.09 7342 7340 H82 SLES 1 -1.67974 -24.2996 -6.22878 HAL2 7338 0 0 0 0.09 7343 7341 C9 SLES 1 -1.33122 -23.038 -7.97687 CTL2 7338 7342 7343 7344 -0.18 7344 7342 H91 SLES 1 -1.72944 -22.933 -9.01163 HAL2 7341 0 0 0 0.09 7345 7343 H92 SLES 1 -0.255333 -23.315 -8.04945 HAL2 7341 0 0 0 0.09 7346 7344 C10 SLES 1 -1.45436 -21.6786 -7.24885 CTL2 7341 7345 7346 7347 -0.18 7347 7345 H10 SLES 1 -2.52897 -21.39 -7.19676 HAL2 7344 0 0 0 0.09 7348 7346 H10 SLES 1 -1.07681 -21.7884 -6.20701 HAL2 7344 0 0 0 0.09 7349 7347 C11 SLES 1 -0.660624 -20.5501 -7.95912 CTL2 7344 7348 7349 7350 -0.18 7350 7348 H11 SLES 1 -1.04653 -20.4394 -8.99833 HAL2 7347 0 0 0 0.09 7351 7349 H11 SLES 1 0.409878 -20.8511 -8.02479 HAL2 7347 0 0 0 0.09 7352 7350 C12 SLES 1 -0.750615 -19.1772 -7.24385 CTL3 7347 7351 7352 7353 -0.27 7353 7351 H12 SLES 1 -1.18938 -18.4147 -7.92465 HAL3 7350 0 0 0 0.09 7354 7352 H12 SLES 1 0.261736 -18.8355 -6.93448 HAL3 7350 0 0 0 0.09 7355 7353 H12 SLES 1 -1.39086 -19.2538 -6.33812 HAL3 7350 0 0 0 0.09 7356 7354 NA SLES 1 -13.9282 -38.8491 -15.7746 NA 0 0 0 0 1 7357 7355 S SLES 1 -16.2652 -37.3133 -13.423 SL 7356 7357 7358 7359 1.33 7358 7356 OS1 SLES 1 -14.7651 -36.6794 -13.817 OSL 7355 7360 0 0 -0.28 7359 7357 OS2 SLES 1 -16.9986 -37.43 -14.6663 O2L 7355 0 0 0 -0.65 7360 7358 OS3 SLES 1 -16.0146 -38.6294 -12.8739 O2L 7355 0 0 0 -0.65 7361 7359 OS4 SLES 1 -17.025 -36.5171 -12.4726 O2L 7355 0 0 0 -0.65 7362 7360 C2 SLES 1 -14.6162 -35.3116 -13.2449 CC32A 7356 7361 7362 7363 -0.11 7363 7361 H2A SLES 1 -15.4591 -34.6462 -13.5822 HCA2 7360 0 0 0 0.09 7364 7362 H2B SLES 1 -14.6402 -35.3894 -12.1225 HCA2 7360 0 0 0 0.09 7365 7363 C1 SLES 1 -13.2164 -34.6903 -13.7143 CC32A 7360 7364 7365 7366 -0.01 7366 7364 H1B SLES 1 -13.1541 -34.6939 -14.8269 HCA2 7363 0 0 0 0.09 7367 7365 H1A SLES 1 -12.3754 -35.2976 -13.3055 HCA2 7363 0 0 0 0.09 7368 7366 O1 SLES 1 -12.8676 -33.2998 -13.3642 OC30A 7363 7367 0 0 -0.34 7369 7367 C2 SLES 1 -13.6148 -32.6989 -12.2856 CC32A 7366 7368 7369 7370 -0.01 7370 7368 H2A SLES 1 -14.649 -32.7345 -12.6807 HCA2 7367 0 0 0 0.09 7371 7369 H2B SLES 1 -13.5145 -33.4548 -11.4744 HCA2 7367 0 0 0 0.09 7372 7370 C1 SLES 1 -13.325 -31.2752 -11.7144 CC32A 7367 7371 7372 7373 -0.01 7373 7371 H1B SLES 1 -13.9347 -30.5214 -12.2586 HCA2 7370 0 0 0 0.09 7374 7372 H1A SLES 1 -13.6017 -31.2481 -10.6414 HCA2 7370 0 0 0 0.09 7375 7373 O1 SLES 1 -12.0106 -30.6344 -11.783 OC30A 7370 7374 0 0 -0.34 7376 7374 C1 SLES 1 -11.7157 -29.6975 -10.6833 CTL2 7373 7375 7376 7377 -0.18 7377 7375 H11 SLES 1 -12.6578 -29.5403 -10.1276 HAL2 7374 0 0 0 0.09 7378 7376 H12 SLES 1 -11.0308 -30.3062 -10.0575 HAL2 7374 0 0 0 0.09 7379 7377 C2 SLES 1 -11.0496 -28.3011 -11.0035 CTL2 7374 7378 7379 7380 -0.18 7380 7378 H21 SLES 1 -10.9222 -28.2019 -12.1047 HAL2 7377 0 0 0 0.09 7381 7379 H22 SLES 1 -10.0405 -28.2667 -10.5376 HAL2 7377 0 0 0 0.09 7382 7380 C3 SLES 1 -11.9214 -27.0655 -10.4633 CTL2 7377 7381 7382 7383 -0.18 7383 7381 H31 SLES 1 -12.4481 -26.5923 -11.3218 HAL2 7380 0 0 0 0.09 7384 7382 H32 SLES 1 -12.6898 -27.4452 -9.76073 HAL2 7380 0 0 0 0.09 7385 7383 C4 SLES 1 -11.0489 -25.9664 -9.72651 CTL2 7380 7384 7385 7386 -0.18 7386 7384 H41 SLES 1 -10.8932 -25.1098 -10.415 HAL2 7383 0 0 0 0.09 7387 7385 H42 SLES 1 -10.0529 -26.3946 -9.48226 HAL2 7383 0 0 0 0.09 7388 7386 C5 SLES 1 -11.73 -25.44 -8.3835 CTL2 7383 7387 7388 7389 -0.18 7389 7387 H51 SLES 1 -12.8117 -25.6995 -8.39912 HAL2 7386 0 0 0 0.09 7390 7388 H52 SLES 1 -11.2662 -25.9592 -7.51392 HAL2 7386 0 0 0 0.09 7391 7389 C6 SLES 1 -11.582 -23.8838 -8.18937 CTL2 7386 7390 7391 7392 -0.18 7392 7390 H61 SLES 1 -12.2454 -23.3628 -8.91567 HAL2 7389 0 0 0 0.09 7393 7391 H62 SLES 1 -11.9194 -23.6134 -7.1615 HAL2 7389 0 0 0 0.09 7394 7392 C7 SLES 1 -10.1159 -23.3854 -8.39051 CTL2 7389 7393 7394 7395 -0.18 7395 7393 H71 SLES 1 -9.91561 -23.2776 -9.47955 HAL2 7392 0 0 0 0.09 7396 7394 H72 SLES 1 -9.41358 -24.1478 -7.98583 HAL2 7392 0 0 0 0.09 7397 7395 C8 SLES 1 -9.84564 -22.0292 -7.69256 CTL2 7392 7396 7397 7398 -0.18 7398 7396 H81 SLES 1 -10.6811 -21.3286 -7.92202 HAL2 7395 0 0 0 0.09 7399 7397 H82 SLES 1 -9.82089 -22.1859 -6.59008 HAL2 7395 0 0 0 0.09 7400 7398 C9 SLES 1 -8.50917 -21.3879 -8.14297 CTL2 7395 7399 7400 7401 -0.18 7401 7399 H91 SLES 1 -8.52294 -21.2588 -9.24908 HAL2 7398 0 0 0 0.09 7402 7400 H92 SLES 1 -7.67223 -22.0763 -7.88797 HAL2 7398 0 0 0 0.09 7403 7401 C10 SLES 1 -8.25322 -20.0145 -7.47831 CTL2 7398 7402 7403 7404 -0.18 7404 7402 H10 SLES 1 -9.07851 -19.3184 -7.75238 HAL2 7401 0 0 0 0.09 7405 7403 H10 SLES 1 -8.26133 -20.1389 -6.37174 HAL2 7401 0 0 0 0.09 7406 7404 C11 SLES 1 -6.89953 -19.3894 -7.9081 CTL2 7401 7405 7406 7407 -0.18 7407 7405 H11 SLES 1 -6.89907 -19.2607 -9.01469 HAL2 7404 0 0 0 0.09 7408 7406 H11 SLES 1 -6.07919 -20.0968 -7.6483 HAL2 7404 0 0 0 0.09 7409 7407 C12 SLES 1 -6.60575 -18.0185 -7.24548 CTL3 7404 7408 7409 7410 -0.27 7410 7408 H12 SLES 1 -6.47983 -17.2327 -8.02261 HAL3 7407 0 0 0 0.09 7411 7409 H12 SLES 1 -5.67289 -18.073 -6.64202 HAL3 7407 0 0 0 0.09 7412 7410 H12 SLES 1 -7.44374 -17.7243 -6.57665 HAL3 7407 0 0 0 0.09 7413 7411 NA SLES 1 -25.3824 -32.6493 -15.5513 NA 0 0 0 0 1 7414 7412 S SLES 1 -27.2902 -29.8797 -14.123 SL 7413 7414 7415 7416 1.33 7415 7413 OS1 SLES 1 -25.6175 -29.9765 -14.1228 OSL 7412 7417 0 0 -0.28 7416 7414 OS2 SLES 1 -27.7032 -29.9508 -15.5093 O2L 7412 0 0 0 -0.65 7417 7415 OS3 SLES 1 -27.7613 -31.0477 -13.4085 O2L 7412 0 0 0 -0.65 7418 7416 OS4 SLES 1 -27.8243 -28.675 -13.5083 O2L 7412 0 0 0 -0.65 7419 7417 C2 SLES 1 -25.0261 -28.6902 -13.6578 CC32A 7413 7418 7419 7420 -0.11 7420 7418 H2A SLES 1 -25.4007 -27.8321 -14.2827 HCA2 7417 0 0 0 0.09 7421 7419 H2B SLES 1 -25.3319 -28.5226 -12.588 HCA2 7417 0 0 0 0.09 7422 7420 C1 SLES 1 -23.4296 -28.7744 -13.7573 CC32A 7417 7421 7422 7423 -0.01 7423 7421 H1B SLES 1 -23.1275 -29.028 -14.7995 HCA2 7420 0 0 0 0.09 7424 7422 H1A SLES 1 -23.0477 -29.565 -13.07 HCA2 7420 0 0 0 0.09 7425 7423 O1 SLES 1 -22.604 -27.5908 -13.4483 OC30A 7420 7424 0 0 -0.34 7426 7424 C2 SLES 1 -23.2398 -26.5404 -12.6902 CC32A 7423 7425 7426 7427 -0.01 7427 7425 H2A SLES 1 -24.0707 -26.2487 -13.362 HCA2 7424 0 0 0 0.09 7428 7426 H2B SLES 1 -23.6595 -27.0933 -11.8198 HCA2 7424 0 0 0 0.09 7429 7427 C1 SLES 1 -22.5009 -25.2591 -12.1905 CC32A 7424 7428 7429 7430 -0.01 7430 7428 H1B SLES 1 -22.5872 -24.4548 -12.9532 HCA2 7427 0 0 0 0.09 7431 7429 H1A SLES 1 -22.9714 -24.9086 -11.2501 HCA2 7427 0 0 0 0.09 7432 7430 O1 SLES 1 -21.0605 -25.2109 -11.9343 OC30A 7427 7431 0 0 -0.34 7433 7431 C1 SLES 1 -20.6452 -24.2614 -10.8855 CTL2 7430 7432 7433 7434 -0.18 7434 7432 H11 SLES 1 -21.5255 -23.6393 -10.6419 HAL2 7431 0 0 0 0.09 7435 7433 H12 SLES 1 -20.449 -24.9482 -10.0363 HAL2 7431 0 0 0 0.09 7436 7434 C2 SLES 1 -19.3896 -23.3327 -11.1244 CTL2 7431 7435 7436 7437 -0.18 7437 7435 H21 SLES 1 -18.9888 -23.5172 -12.1462 HAL2 7434 0 0 0 0.09 7438 7436 H22 SLES 1 -18.5969 -23.6012 -10.3921 HAL2 7434 0 0 0 0.09 7439 7437 C3 SLES 1 -19.7402 -21.7731 -10.9727 CTL2 7434 7438 7439 7440 -0.18 7440 7438 H31 SLES 1 -19.8044 -21.317 -11.9857 HAL2 7437 0 0 0 0.09 7441 7439 H32 SLES 1 -20.7329 -21.6711 -10.4905 HAL2 7437 0 0 0 0.09 7442 7440 C4 SLES 1 -18.6689 -20.9772 -10.1176 CTL2 7437 7441 7442 7443 -0.18 7443 7441 H41 SLES 1 -18.0095 -20.4087 -10.8063 HAL2 7440 0 0 0 0.09 7444 7442 H42 SLES 1 -18.0374 -21.701 -9.55868 HAL2 7440 0 0 0 0.09 7445 7443 C5 SLES 1 -19.3383 -19.9656 -9.08166 CTL2 7440 7444 7445 7446 -0.18 7446 7444 H51 SLES 1 -20.3921 -19.7793 -9.38537 HAL2 7443 0 0 0 0.09 7447 7445 H52 SLES 1 -19.3513 -20.4362 -8.07205 HAL2 7443 0 0 0 0.09 7448 7446 C6 SLES 1 -18.5819 -18.5866 -8.9943 CTL2 7443 7447 7448 7449 -0.18 7449 7447 H61 SLES 1 -18.7747 -18.0074 -9.92511 HAL2 7446 0 0 0 0.09 7450 7448 H62 SLES 1 -18.9905 -18.0032 -8.13637 HAL2 7446 0 0 0 0.09 7451 7449 C7 SLES 1 -17.0404 -18.7525 -8.80777 CTL2 7446 7450 7451 7452 -0.18 7452 7450 H71 SLES 1 -16.575 -18.9553 -9.79771 HAL2 7449 0 0 0 0.09 7453 7451 H72 SLES 1 -16.8456 -19.6291 -8.15051 HAL2 7449 0 0 0 0.09 7454 7452 C8 SLES 1 -16.3761 -17.4985 -8.18685 CTL2 7449 7453 7454 7455 -0.18 7455 7453 H81 SLES 1 -16.7532 -16.5898 -8.70994 HAL2 7452 0 0 0 0.09 7456 7454 H82 SLES 1 -16.6689 -17.4247 -7.11472 HAL2 7452 0 0 0 0.09 7457 7455 C9 SLES 1 -14.8306 -17.5361 -8.28823 CTL2 7452 7456 7457 7458 -0.18 7458 7456 H91 SLES 1 -14.5393 -17.6396 -9.35816 HAL2 7455 0 0 0 0.09 7459 7457 H92 SLES 1 -14.4527 -18.4293 -7.74146 HAL2 7455 0 0 0 0.09 7460 7458 C10 SLES 1 -14.1639 -16.2678 -7.70472 CTL2 7455 7459 7460 7461 -0.18 7461 7459 H10 SLES 1 -14.524 -15.3762 -8.267 HAL2 7458 0 0 0 0.09 7462 7460 H10 SLES 1 -14.4724 -16.1514 -6.6411 HAL2 7458 0 0 0 0.09 7463 7461 C11 SLES 1 -12.6149 -16.3225 -7.78001 CTL2 7458 7462 7463 7464 -0.18 7464 7462 H11 SLES 1 -12.3113 -16.4321 -8.84626 HAL2 7461 0 0 0 0.09 7465 7463 H11 SLES 1 -12.2608 -17.2253 -7.23174 HAL2 7461 0 0 0 0.09 7466 7464 C12 SLES 1 -11.9159 -15.0717 -7.18731 CTL3 7461 7465 7466 7467 -0.27 7467 7465 H12 SLES 1 -11.2931 -14.5732 -7.9626 HAL3 7464 0 0 0 0.09 7468 7466 H12 SLES 1 -11.259 -15.3622 -6.33791 HAL3 7464 0 0 0 0.09 7469 7467 H12 SLES 1 -12.6714 -14.3444 -6.81825 HAL3 7464 0 0 0 0.09 7470 7468 NA SLES 1 -34.5402 -22.942 -15.2554 NA 0 0 0 0 1 7471 7469 S SLES 1 -35.2282 -19.3764 -14.8508 SL 7470 7471 7472 7473 1.33 7472 7470 OS1 SLES 1 -33.7869 -20.1168 -14.4242 OSL 7469 7474 0 0 -0.28 7473 7471 OS2 SLES 1 -35.4228 -19.6435 -16.2608 O2L 7469 0 0 0 -0.65 7474 7472 OS3 SLES 1 -36.2621 -20.0325 -14.0782 O2L 7469 0 0 0 -0.65 7475 7473 OS4 SLES 1 -35.264 -17.943 -14.6087 O2L 7469 0 0 0 -0.65 7476 7474 C2 SLES 1 -32.767 -19.0919 -14.064 CC32A 7470 7475 7476 7477 -0.11 7477 7475 H2A SLES 1 -32.6319 -18.354 -14.9032 HCA2 7474 0 0 0 0.09 7478 7476 H2B SLES 1 -33.1213 -18.5417 -13.1486 HCA2 7474 0 0 0 0.09 7479 7477 C1 SLES 1 -31.3732 -19.8177 -13.7533 CC32A 7474 7478 7479 7480 -0.01 7480 7478 H1B SLES 1 -31.0639 -20.4349 -14.628 HCA2 7477 0 0 0 0.09 7481 7479 H1A SLES 1 -31.4813 -20.4826 -12.8647 HCA2 7477 0 0 0 0.09 7482 7480 O1 SLES 1 -30.1677 -19.0164 -13.4663 OC30A 7477 7481 0 0 -0.34 7483 7481 C2 SLES 1 -30.3824 -17.6412 -13.085 CC32A 7480 7482 7483 7484 -0.01 7484 7482 H2A SLES 1 -30.8933 -17.2362 -13.9805 HCA2 7481 0 0 0 0.09 7485 7483 H2B SLES 1 -31.1242 -17.7342 -12.2601 HCA2 7481 0 0 0 0.09 7486 7484 C1 SLES 1 -29.2388 -16.6694 -12.6548 CC32A 7481 7485 7486 7487 -0.01 7487 7485 H1B SLES 1 -28.8516 -16.1282 -13.5454 HCA2 7484 0 0 0 0.09 7488 7486 H1A SLES 1 -29.6402 -15.9278 -11.9354 HCA2 7484 0 0 0 0.09 7489 7487 O1 SLES 1 -27.9776 -17.1234 -12.0666 OC30A 7484 7488 0 0 -0.34 7490 7488 C1 SLES 1 -27.3468 -16.1721 -11.1333 CTL2 7487 7489 7490 7491 -0.18 7491 7489 H11 SLES 1 -27.8907 -15.2147 -11.2266 HAL2 7488 0 0 0 0.09 7492 7490 H12 SLES 1 -27.5978 -16.6299 -10.1542 HAL2 7488 0 0 0 0.09 7493 7491 C2 SLES 1 -25.7913 -15.9086 -11.2182 CTL2 7488 7492 7493 7494 -0.18 7494 7492 H21 SLES 1 -25.3672 -16.4981 -12.0616 HAL2 7491 0 0 0 0.09 7495 7493 H22 SLES 1 -25.313 -16.2622 -10.2787 HAL2 7491 0 0 0 0.09 7496 7494 C3 SLES 1 -25.4413 -14.3565 -11.4355 CTL2 7491 7495 7496 7497 -0.18 7497 7495 H31 SLES 1 -25.1503 -14.1971 -12.4977 HAL2 7494 0 0 0 0.09 7498 7496 H32 SLES 1 -26.3477 -13.7505 -11.2367 HAL2 7494 0 0 0 0.09 7499 7497 C4 SLES 1 -24.2676 -13.8488 -10.4992 CTL2 7494 7498 7499 7500 -0.18 7500 7498 H41 SLES 1 -23.333 -13.788 -11.095 HAL2 7497 0 0 0 0.09 7501 7499 H42 SLES 1 -24.1063 -14.5864 -9.68369 HAL2 7497 0 0 0 0.09 7502 7500 C5 SLES 1 -24.5698 -12.4213 -9.8544 CTL2 7497 7501 7502 7503 -0.18 7503 7501 H51 SLES 1 -25.3784 -11.9246 -10.4347 HAL2 7500 0 0 0 0.09 7504 7502 H52 SLES 1 -24.9351 -12.5643 -8.81179 HAL2 7500 0 0 0 0.09 7505 7503 C6 SLES 1 -23.3075 -11.4792 -9.83015 CTL2 7500 7504 7505 7506 -0.18 7506 7504 H61 SLES 1 -23.0887 -11.1391 -10.8672 HAL2 7503 0 0 0 0.09 7507 7505 H62 SLES 1 -23.5399 -10.5783 -9.21554 HAL2 7503 0 0 0 0.09 7508 7506 C7 SLES 1 -22.0403 -12.1799 -9.24586 CTL2 7503 7507 7508 7509 -0.18 7509 7507 H71 SLES 1 -21.5714 -12.8025 -10.0398 HAL2 7506 0 0 0 0.09 7510 7508 H72 SLES 1 -22.3476 -12.8552 -8.41645 HAL2 7506 0 0 0 0.09 7511 7509 C8 SLES 1 -20.9925 -11.1708 -8.7134 CTL2 7506 7510 7511 7512 -0.18 7512 7510 H81 SLES 1 -20.8525 -10.3605 -9.46516 HAL2 7509 0 0 0 0.09 7513 7511 H82 SLES 1 -21.3768 -10.7079 -7.77601 HAL2 7509 0 0 0 0.09 7514 7512 C9 SLES 1 -19.6233 -11.8361 -8.42527 CTL2 7509 7513 7514 7515 -0.18 7515 7513 H91 SLES 1 -19.2538 -12.3241 -9.35566 HAL2 7512 0 0 0 0.09 7516 7514 H92 SLES 1 -19.7594 -12.6269 -7.65347 HAL2 7512 0 0 0 0.09 7517 7515 C10 SLES 1 -18.5618 -10.8253 -7.93043 CTL2 7512 7516 7517 7518 -0.18 7518 7516 H10 SLES 1 -18.4085 -10.047 -8.71239 HAL2 7515 0 0 0 0.09 7519 7517 H10 SLES 1 -18.9401 -10.3209 -7.01254 HAL2 7515 0 0 0 0.09 7520 7518 C11 SLES 1 -17.2009 -11.5001 -7.61357 CTL2 7515 7519 7520 7521 -0.18 7521 7519 H11 SLES 1 -16.8235 -11.9973 -8.53636 HAL2 7518 0 0 0 0.09 7522 7520 H11 SLES 1 -17.3624 -12.2896 -6.84446 HAL2 7518 0 0 0 0.09 7523 7521 C12 SLES 1 -16.1196 -10.515 -7.09892 CTL3 7518 7522 7523 7524 -0.27 7524 7522 H12 SLES 1 -15.2355 -10.5244 -7.77391 HAL3 7521 0 0 0 0.09 7525 7523 H12 SLES 1 -15.7885 -10.8039 -6.07706 HAL3 7521 0 0 0 0.09 7526 7524 H12 SLES 1 -16.5252 -9.48046 -7.0607 HAL3 7521 0 0 0 0.09 7527 7525 NA SLES 1 -40.2227 -10.4953 -14.9688 NA 0 0 0 0 1 7528 7526 S SLES 1 -39.3088 -7.01052 -15.5784 SL 7527 7528 7529 7530 1.33 7529 7527 OS1 SLES 1 -38.359 -8.10512 -14.7375 OSL 7526 7531 0 0 -0.28 7530 7528 OS2 SLES 1 -39.5253 -7.58205 -16.8914 O2L 7526 0 0 0 -0.65 7531 7529 OS3 SLES 1 -40.5647 -6.93331 -14.8619 O2L 7526 0 0 0 -0.65 7532 7530 OS4 SLES 1 -38.7293 -5.68293 -15.7055 O2L 7526 0 0 0 -0.65 7533 7531 C2 SLES 1 -37.0151 -7.52115 -14.4668 CC32A 7527 7532 7533 7534 -0.11 7534 7532 H2A SLES 1 -36.5277 -7.18553 -15.4243 HCA2 7531 0 0 0 0.09 7535 7533 H2B SLES 1 -37.1423 -6.6304 -13.791 HCA2 7531 0 0 0 0.09 7536 7534 C1 SLES 1 -36.0955 -8.61837 -13.7482 CC32A 7531 7535 7536 7537 -0.01 7537 7535 H1B SLES 1 -36.0401 -9.53695 -14.3767 HCA2 7534 0 0 0 0.09 7538 7536 H1A SLES 1 -36.5293 -8.88691 -12.7569 HCA2 7534 0 0 0 0.09 7539 7537 O1 SLES 1 -34.6783 -8.3244 -13.46 OC30A 7534 7538 0 0 -0.34 7540 7538 C2 SLES 1 -34.2923 -6.93391 -13.4715 CC32A 7537 7539 7540 7541 -0.01 7541 7539 H2A SLES 1 -34.5274 -6.64331 -14.5141 HCA2 7538 0 0 0 0.09 7542 7540 H2B SLES 1 -35.043 -6.47109 -12.7921 HCA2 7538 0 0 0 0.09 7543 7541 C1 SLES 1 -32.8641 -6.4248 -13.0993 CC32A 7538 7542 7543 7544 -0.01 7544 7542 H1B SLES 1 -32.2331 -6.37631 -14.0134 HCA2 7541 0 0 0 0.09 7545 7543 H1A SLES 1 -32.9398 -5.40753 -12.6657 HCA2 7541 0 0 0 0.09 7546 7544 O1 SLES 1 -31.9599 -7.15104 -12.2061 OC30A 7541 7545 0 0 -0.34 7547 7545 C1 SLES 1 -31.0281 -6.30406 -11.4391 CTL2 7544 7546 7547 7548 -0.18 7548 7546 H11 SLES 1 -31.0947 -5.28374 -11.8582 HAL2 7545 0 0 0 0.09 7549 7547 H12 SLES 1 -31.5049 -6.30892 -10.4372 HAL2 7545 0 0 0 0.09 7550 7548 C2 SLES 1 -29.5111 -6.72699 -11.3122 CTL2 7545 7549 7550 7551 -0.18 7551 7549 H21 SLES 1 -29.3422 -7.65854 -11.8974 HAL2 7548 0 0 0 0.09 7552 7550 H22 SLES 1 -29.2852 -6.94689 -10.2458 HAL2 7548 0 0 0 0.09 7553 7551 C3 SLES 1 -28.5089 -5.58827 -11.8388 CTL2 7548 7552 7553 7554 -0.18 7554 7552 H31 SLES 1 -28.1216 -5.88251 -12.8397 HAL2 7551 0 0 0 0.09 7555 7553 H32 SLES 1 -29.0697 -4.63971 -11.9568 HAL2 7551 0 0 0 0.09 7556 7554 C4 SLES 1 -27.2826 -5.34307 -10.8649 CTL2 7551 7555 7556 7557 -0.18 7557 7555 H41 SLES 1 -26.3848 -5.84332 -11.2842 HAL2 7554 0 0 0 0.09 7558 7556 H42 SLES 1 -27.5023 -5.80469 -9.87819 HAL2 7554 0 0 0 0.09 7559 7557 C5 SLES 1 -26.9664 -3.79388 -10.6534 CTL2 7554 7558 7559 7560 -0.18 7560 7558 H51 SLES 1 -27.4458 -3.21053 -11.4702 HAL2 7557 0 0 0 0.09 7561 7559 H52 SLES 1 -27.4122 -3.46123 -9.6882 HAL2 7557 0 0 0 0.09 7562 7560 C6 SLES 1 -25.423 -3.47877 -10.6402 CTL2 7557 7561 7562 7563 -0.18 7563 7561 H61 SLES 1 -25.0232 -3.58011 -11.6741 HAL2 7560 0 0 0 0.09 7564 7562 H62 SLES 1 -25.2719 -2.42261 -10.316 HAL2 7560 0 0 0 0.09 7565 7563 C7 SLES 1 -24.6206 -4.42214 -9.68917 CTL2 7560 7564 7565 7566 -0.18 7566 7564 H71 SLES 1 -24.4285 -5.3856 -10.2113 HAL2 7563 0 0 0 0.09 7567 7565 H72 SLES 1 -25.2349 -4.63706 -8.78652 HAL2 7563 0 0 0 0.09 7568 7566 C8 SLES 1 -23.2677 -3.81189 -9.24547 CTL2 7563 7567 7568 7569 -0.18 7569 7567 H81 SLES 1 -22.749 -3.38964 -10.1365 HAL2 7566 0 0 0 0.09 7570 7568 H82 SLES 1 -23.461 -2.97817 -8.5326 HAL2 7566 0 0 0 0.09 7571 7569 C9 SLES 1 -22.3426 -4.85354 -8.56762 CTL2 7566 7570 7571 7572 -0.18 7572 7570 H91 SLES 1 -22.1739 -5.70101 -9.27023 HAL2 7569 0 0 0 0.09 7573 7571 H92 SLES 1 -22.8504 -5.25451 -7.66156 HAL2 7569 0 0 0 0.09 7574 7572 C10 SLES 1 -20.9747 -4.25848 -8.15781 CTL2 7569 7573 7574 7575 -0.18 7575 7573 H10 SLES 1 -20.4563 -3.87826 -9.06748 HAL2 7572 0 0 0 0.09 7576 7574 H10 SLES 1 -21.1434 -3.39701 -7.47267 HAL2 7572 0 0 0 0.09 7577 7575 C11 SLES 1 -20.0626 -5.29653 -7.45167 CTL2 7572 7576 7577 7578 -0.18 7578 7576 H11 SLES 1 -19.8913 -6.15282 -8.14342 HAL2 7575 0 0 0 0.09 7579 7577 H11 SLES 1 -20.5926 -5.68695 -6.55295 HAL2 7575 0 0 0 0.09 7580 7578 C12 SLES 1 -18.6891 -4.72577 -7.01322 CTL3 7575 7579 7580 7581 -0.27 7581 7579 H12 SLES 1 -17.863 -5.29005 -7.49958 HAL3 7578 0 0 0 0.09 7582 7580 H12 SLES 1 -18.5716 -4.80595 -5.90999 HAL3 7578 0 0 0 0.09 7583 7581 H12 SLES 1 -18.6048 -3.65534 -7.30165 HAL3 7578 0 0 0 0.09 7584 7582 NA SLES 1 -41.4967 3.44489 -14.7729 NA 0 0 0 0 1 7585 7583 S SLES 1 -39.2125 5.86735 -16.2777 SL 7584 7585 7586 7587 1.33 7586 7584 OS1 SLES 1 -38.7829 4.78005 -15.0775 OSL 7583 7588 0 0 -0.28 7587 7585 OS2 SLES 1 -39.7122 5.07774 -17.3842 O2L 7583 0 0 0 -0.65 7588 7586 OS3 SLES 1 -40.2811 6.67422 -15.7267 O2L 7583 0 0 0 -0.65 7589 7587 OS4 SLES 1 -38.1286 6.72435 -16.7306 O2L 7583 0 0 0 -0.65 7590 7588 C2 SLES 1 -37.3075 4.79675 -14.8698 CC32A 7584 7589 7590 7591 -0.11 7591 7589 H2A SLES 1 -36.7681 4.59492 -15.837 HCA2 7588 0 0 0 0.09 7592 7590 H2B SLES 1 -37.0113 5.81488 -14.4931 HCA2 7588 0 0 0 0.09 7593 7591 C1 SLES 1 -36.912 3.68349 -13.7882 CC32A 7588 7592 7593 7594 -0.01 7594 7592 H1B SLES 1 -37.2827 2.68575 -14.1181 HCA2 7591 0 0 0 0.09 7595 7593 H1A SLES 1 -37.3729 3.9304 -12.8034 HCA2 7591 0 0 0 0.09 7596 7594 O1 SLES 1 -35.4932 3.42598 -13.4739 OC30A 7591 7595 0 0 -0.34 7597 7595 C2 SLES 1 -34.5519 4.45255 -13.8515 CC32A 7594 7596 7597 7598 -0.01 7598 7596 H2A SLES 1 -34.6882 4.49034 -14.9501 HCA2 7595 0 0 0 0.09 7599 7597 H2B SLES 1 -35.0013 5.3668 -13.4026 HCA2 7595 0 0 0 0.09 7600 7598 C1 SLES 1 -33.0276 4.39985 -13.5182 CC32A 7595 7599 7600 7601 -0.01 7601 7599 H1B SLES 1 -32.4789 3.90447 -14.3486 HCA2 7598 0 0 0 0.09 7602 7600 H1A SLES 1 -32.642 5.43279 -13.4043 HCA2 7598 0 0 0 0.09 7603 7601 O1 SLES 1 -32.4796 3.66305 -12.3782 OC30A 7598 7602 0 0 -0.34 7604 7602 C1 SLES 1 -31.2414 4.22597 -11.8091 CTL2 7601 7603 7604 7605 -0.18 7605 7603 H11 SLES 1 -30.8855 5.00406 -12.5084 HAL2 7602 0 0 0 0.09 7606 7604 H12 SLES 1 -31.6282 4.72015 -10.8939 HAL2 7602 0 0 0 0.09 7607 7605 C2 SLES 1 -30.0457 3.2639 -11.4334 CTL2 7602 7606 7607 7608 -0.18 7608 7606 H21 SLES 1 -30.3174 2.22019 -11.7085 HAL2 7605 0 0 0 0.09 7609 7607 H22 SLES 1 -29.8865 3.2977 -10.3334 HAL2 7605 0 0 0 0.09 7610 7608 C3 SLES 1 -28.6789 3.66255 -12.1759 CTL2 7605 7609 7610 7611 -0.18 7611 7609 H31 SLES 1 -28.5005 2.94989 -13.0117 HAL2 7608 0 0 0 0.09 7612 7610 H32 SLES 1 -28.7862 4.6763 -12.6106 HAL2 7608 0 0 0 0.09 7613 7611 C4 SLES 1 -27.4219 3.64738 -11.2104 CTL2 7608 7612 7613 7614 -0.18 7614 7612 H41 SLES 1 -26.8436 2.71663 -11.3876 HAL2 7611 0 0 0 0.09 7615 7613 H42 SLES 1 -27.7719 3.6374 -10.1557 HAL2 7611 0 0 0 0.09 7616 7614 C5 SLES 1 -26.4656 4.90568 -11.4271 CTL2 7611 7615 7616 7617 -0.18 7617 7615 H51 SLES 1 -26.6873 5.36422 -12.4161 HAL2 7614 0 0 0 0.09 7618 7616 H52 SLES 1 -26.682 5.66524 -10.6415 HAL2 7614 0 0 0 0.09 7619 7617 C6 SLES 1 -24.9365 4.53145 -11.3702 CTL2 7614 7618 7619 7620 -0.18 7620 7618 H61 SLES 1 -24.6661 3.96908 -12.292 HAL2 7617 0 0 0 0.09 7621 7619 H62 SLES 1 -24.3345 5.46992 -11.352 HAL2 7617 0 0 0 0.09 7622 7620 C7 SLES 1 -24.5705 3.6685 -10.1214 CTL2 7617 7621 7622 7623 -0.18 7623 7621 H71 SLES 1 -24.832 2.60647 -10.325 HAL2 7620 0 0 0 0.09 7624 7622 H72 SLES 1 -25.1756 4.01078 -9.25248 HAL2 7620 0 0 0 0.09 7625 7623 C8 SLES 1 -23.0678 3.7554 -9.75559 CTL2 7620 7624 7625 7626 -0.18 7626 7624 H81 SLES 1 -22.46 3.63445 -10.6815 HAL2 7623 0 0 0 0.09 7627 7625 H82 SLES 1 -22.8539 4.76342 -9.33278 HAL2 7623 0 0 0 0.09 7628 7626 C9 SLES 1 -22.6454 2.67537 -8.72822 CTL2 7623 7627 7628 7629 -0.18 7629 7627 H91 SLES 1 -22.8868 1.66892 -9.13944 HAL2 7626 0 0 0 0.09 7630 7628 H92 SLES 1 -23.2335 2.81439 -7.79315 HAL2 7626 0 0 0 0.09 7631 7629 C10 SLES 1 -21.1371 2.73283 -8.38905 CTL2 7626 7630 7631 7632 -0.18 7632 7630 H10 SLES 1 -20.5484 2.57048 -9.32065 HAL2 7629 0 0 0 0.09 7633 7631 H10 SLES 1 -20.8905 3.74611 -7.99853 HAL2 7629 0 0 0 0.09 7634 7632 C11 SLES 1 -20.7237 1.6698 -7.33689 CTL2 7629 7633 7634 7635 -0.18 7635 7633 H11 SLES 1 -20.966 0.657903 -7.73496 HAL2 7632 0 0 0 0.09 7636 7634 H11 SLES 1 -21.3276 1.825 -6.4138 HAL2 7632 0 0 0 0.09 7637 7635 C12 SLES 1 -19.2194 1.71261 -6.96291 CTL3 7632 7636 7637 7638 -0.27 7638 7636 H12 SLES 1 -18.7363 0.73715 -7.19191 HAL3 7635 0 0 0 0.09 7639 7637 H12 SLES 1 -19.0968 1.92268 -5.87747 HAL3 7635 0 0 0 0.09 7640 7638 H12 SLES 1 -18.6998 2.50915 -7.53885 HAL3 7635 0 0 0 0.09 7641 7639 NA SLES 1 -37.9133 17.2455 -14.7395 NA 0 0 0 0 1 7642 7640 S SLES 1 -35.0632 17.9215 -16.9236 SL 7641 7642 7643 7644 1.33 7643 7641 OS1 SLES 1 -34.962 17.119 -15.4562 OSL 7640 7645 0 0 -0.28 7644 7642 OS2 SLES 1 -35.9955 17.1689 -17.7371 O2L 7640 0 0 0 -0.65 7645 7643 OS3 SLES 1 -35.6103 19.2296 -16.6303 O2L 7640 0 0 0 -0.65 7646 7644 OS4 SLES 1 -33.7959 18.0607 -17.6229 O2L 7640 0 0 0 -0.65 7647 7645 C2 SLES 1 -33.6005 16.5408 -15.2769 CC32A 7641 7646 7647 7648 -0.11 7648 7646 H2A SLES 1 -33.3351 15.8735 -16.1438 HCA2 7645 0 0 0 0.09 7649 7647 H2B SLES 1 -32.8579 17.3847 -15.226 HCA2 7645 0 0 0 0.09 7650 7648 C1 SLES 1 -33.5573 15.6994 -13.9145 CC32A 7645 7649 7650 7651 -0.01 7651 7649 H1B SLES 1 -34.3518 14.9181 -13.9261 HCA2 7648 0 0 0 0.09 7652 7650 H1A SLES 1 -33.7309 16.3755 -13.0452 HCA2 7648 0 0 0 0.09 7653 7651 O1 SLES 1 -32.3459 14.9391 -13.5506 OC30A 7648 7652 0 0 -0.34 7654 7652 C2 SLES 1 -31.1256 15.3064 -14.2278 CC32A 7651 7653 7654 7655 -0.01 7655 7653 H2A SLES 1 -31.3859 15.1065 -15.2857 HCA2 7652 0 0 0 0.09 7656 7654 H2B SLES 1 -31.0861 16.4077 -14.0701 HCA2 7652 0 0 0 0.09 7657 7655 C1 SLES 1 -29.7315 14.6807 -13.9082 CC32A 7652 7656 7657 7658 -0.01 7658 7656 H1B SLES 1 -29.5609 13.7938 -14.5566 HCA2 7655 0 0 0 0.09 7659 7657 H1A SLES 1 -28.9392 15.4282 -14.1134 HCA2 7655 0 0 0 0.09 7660 7658 O1 SLES 1 -29.3865 14.1109 -12.6047 OC30A 7655 7659 0 0 -0.34 7661 7659 C1 SLES 1 -27.9601 14.2018 -12.2424 CTL2 7658 7660 7661 7662 -0.18 7662 7660 H11 SLES 1 -27.4143 14.5273 -13.1465 HAL2 7659 0 0 0 0.09 7663 7661 H12 SLES 1 -27.974 15.0391 -11.5144 HAL2 7659 0 0 0 0.09 7664 7662 C2 SLES 1 -27.2339 12.9511 -11.6064 CTL2 7659 7663 7664 7665 -0.18 7665 7663 H21 SLES 1 -27.9509 12.1015 -11.5527 HAL2 7662 0 0 0 0.09 7666 7664 H22 SLES 1 -26.923 13.2028 -10.5688 HAL2 7662 0 0 0 0.09 7667 7665 C3 SLES 1 -25.9437 12.4957 -12.4469 CTL2 7662 7666 7667 7668 -0.18 7668 7666 H31 SLES 1 -26.197 11.5835 -13.0317 HAL2 7665 0 0 0 0.09 7669 7667 H32 SLES 1 -25.6789 13.2972 -13.165 HAL2 7665 0 0 0 0.09 7670 7668 C4 SLES 1 -24.6857 12.1876 -11.5332 CTL2 7665 7669 7670 7671 -0.18 7671 7669 H41 SLES 1 -24.5784 11.0878 -11.428 HAL2 7668 0 0 0 0.09 7672 7670 H42 SLES 1 -24.8569 12.6132 -10.521 HAL2 7668 0 0 0 0.09 7673 7671 C5 SLES 1 -23.3331 12.79 -12.1266 CTL2 7668 7672 7673 7674 -0.18 7674 7672 H51 SLES 1 -23.4797 13.0179 -13.2055 HAL2 7671 0 0 0 0.09 7675 7673 H52 SLES 1 -23.1015 13.7458 -11.6035 HAL2 7671 0 0 0 0.09 7676 7674 C6 SLES 1 -22.1071 11.8127 -11.9742 CTL2 7671 7675 7676 7677 -0.18 7677 7675 H61 SLES 1 -22.2271 10.9662 -12.687 HAL2 7674 0 0 0 0.09 7678 7676 H62 SLES 1 -21.1731 12.3587 -12.2442 HAL2 7674 0 0 0 0.09 7679 7677 C7 SLES 1 -21.9629 11.2435 -10.5273 CTL2 7674 7678 7679 7680 -0.18 7680 7678 H71 SLES 1 -22.6684 10.3927 -10.4001 HAL2 7677 0 0 0 0.09 7681 7679 H72 SLES 1 -22.2426 12.034 -9.7957 HAL2 7677 0 0 0 0.09 7682 7680 C8 SLES 1 -20.5255 10.7557 -10.2184 CTL2 7677 7681 7682 7683 -0.18 7683 7681 H81 SLES 1 -20.1592 10.1388 -11.0709 HAL2 7680 0 0 0 0.09 7684 7682 H82 SLES 1 -19.8546 11.6393 -10.1199 HAL2 7680 0 0 0 0.09 7685 7683 C9 SLES 1 -20.452 9.91658 -8.91811 CTL2 7680 7684 7685 7686 -0.18 7686 7684 H91 SLES 1 -21.1453 9.04946 -9.00581 HAL2 7683 0 0 0 0.09 7687 7685 H92 SLES 1 -20.7917 10.5427 -8.06253 HAL2 7683 0 0 0 0.09 7688 7686 C10 SLES 1 -19.0255 9.39391 -8.62587 CTL2 7683 7687 7688 7689 -0.18 7689 7687 H10 SLES 1 -18.6945 8.74837 -9.47113 HAL2 7686 0 0 0 0.09 7690 7688 H10 SLES 1 -18.3276 10.2591 -8.56 HAL2 7686 0 0 0 0.09 7691 7689 C11 SLES 1 -18.9495 8.57995 -7.30691 CTL2 7686 7690 7691 7692 -0.18 7692 7690 H11 SLES 1 -19.6441 7.71203 -7.38044 HAL2 7689 0 0 0 0.09 7693 7691 H11 SLES 1 -19.2984 9.22379 -6.46747 HAL2 7689 0 0 0 0.09 7694 7692 C12 SLES 1 -17.5279 8.05573 -6.97704 CTL3 7689 7693 7694 7695 -0.27 7695 7693 H12 SLES 1 -17.5319 6.94559 -6.90699 HAL3 7692 0 0 0 0.09 7696 7694 H12 SLES 1 -17.1785 8.47087 -6.00598 HAL3 7692 0 0 0 0.09 7697 7695 H12 SLES 1 -16.8101 8.35805 -7.7704 HAL3 7692 0 0 0 0.09 7698 7696 NA SLES 1 -29.6958 29.1125 -14.9233 NA 0 0 0 0 1 7699 7697 S SLES 1 -27.3723 27.9581 -17.4961 SL 7698 7699 7700 7701 1.33 7700 7698 OS1 SLES 1 -27.2919 27.5178 -15.8815 OSL 7697 7702 0 0 -0.28 7701 7699 OS2 SLES 1 -28.6844 27.5608 -17.9629 O2L 7697 0 0 0 -0.65 7702 7700 OS3 SLES 1 -27.2551 29.401 -17.5264 O2L 7697 0 0 0 -0.65 7703 7701 OS4 SLES 1 -26.3461 27.3607 -18.3355 O2L 7697 0 0 0 -0.65 7704 7702 C2 SLES 1 -26.285 26.436 -15.691 CC32A 7698 7703 7704 7705 -0.11 7705 7703 H2A SLES 1 -26.5135 25.5588 -16.3584 HCA2 7702 0 0 0 0.09 7706 7704 H2B SLES 1 -25.2699 26.8419 -15.9576 HCA2 7702 0 0 0 0.09 7707 7705 C1 SLES 1 -26.2948 25.9667 -14.1595 CC32A 7702 7706 7707 7708 -0.01 7708 7706 H1B SLES 1 -27.3215 25.6468 -13.8676 HCA2 7705 0 0 0 0.09 7709 7707 H1A SLES 1 -25.9808 26.8105 -13.5019 HCA2 7705 0 0 0 0.09 7710 7708 O1 SLES 1 -25.4553 24.833 -13.726 OC30A 7705 7709 0 0 -0.34 7711 7709 C2 SLES 1 -24.3722 24.4593 -14.6034 CC32A 7708 7710 7711 7712 -0.01 7712 7710 H2A SLES 1 -24.9158 24.1865 -15.5291 HCA2 7709 0 0 0 0.09 7713 7711 H2B SLES 1 -23.8503 25.4291 -14.7665 HCA2 7709 0 0 0 0.09 7714 7712 C1 SLES 1 -23.3254 23.3504 -14.2692 CC32A 7709 7713 7714 7715 -0.01 7715 7713 H1B SLES 1 -23.6803 22.3705 -14.6565 HCA2 7712 0 0 0 0.09 7716 7714 H1A SLES 1 -22.3618 23.5975 -14.7581 HCA2 7712 0 0 0 0.09 7717 7715 O1 SLES 1 -22.9692 22.9677 -12.9019 OC30A 7712 7716 0 0 -0.34 7718 7716 C1 SLES 1 -21.5902 22.4745 -12.7316 CTL2 7715 7717 7718 7719 -0.18 7719 7717 H11 SLES 1 -21.1708 22.3237 -13.7428 HAL2 7716 0 0 0 0.09 7720 7718 H12 SLES 1 -21.0995 23.3567 -12.2709 HAL2 7716 0 0 0 0.09 7721 7719 C2 SLES 1 -21.3221 21.1913 -11.8497 CTL2 7716 7720 7721 7722 -0.18 7722 7720 H21 SLES 1 -22.2941 20.7904 -11.4846 HAL2 7719 0 0 0 0.09 7723 7721 H22 SLES 1 -20.7169 21.4819 -10.9633 HAL2 7719 0 0 0 0.09 7724 7722 C3 SLES 1 -20.5508 20.0388 -12.6592 CTL2 7719 7723 7724 7725 -0.18 7725 7723 H31 SLES 1 -21.2775 19.2422 -12.9342 HAL2 7722 0 0 0 0.09 7726 7724 H32 SLES 1 -20.1441 20.4664 -13.5972 HAL2 7722 0 0 0 0.09 7727 7725 C4 SLES 1 -19.3642 19.3892 -11.8331 CTL2 7722 7726 7727 7728 -0.18 7728 7726 H41 SLES 1 -19.698 18.4082 -11.4351 HAL2 7725 0 0 0 0.09 7729 7727 H42 SLES 1 -19.1198 20.044 -10.9691 HAL2 7725 0 0 0 0.09 7730 7728 C5 SLES 1 -18.0491 19.1767 -12.7106 CTL2 7725 7729 7730 7731 -0.18 7731 7729 H51 SLES 1 -18.3209 19.219 -13.7884 HAL2 7728 0 0 0 0.09 7732 7730 H52 SLES 1 -17.3372 20.0083 -12.5043 HAL2 7728 0 0 0 0.09 7733 7731 C6 SLES 1 -17.3321 17.8046 -12.4194 CTL2 7728 7732 7733 7734 -0.18 7734 7732 H61 SLES 1 -17.9417 16.9783 -12.8489 HAL2 7731 0 0 0 0.09 7735 7733 H62 SLES 1 -16.3399 17.7994 -12.9284 HAL2 7731 0 0 0 0.09 7736 7734 C7 SLES 1 -17.1221 17.543 -10.8943 CTL2 7731 7735 7736 7737 -0.18 7737 7735 H71 SLES 1 -18.0683 17.1509 -10.4599 HAL2 7734 0 0 0 0.09 7738 7736 H72 SLES 1 -16.8852 18.5058 -10.3891 HAL2 7734 0 0 0 0.09 7739 7737 C8 SLES 1 -15.9827 16.5318 -10.6136 CTL2 7734 7738 7739 7740 -0.18 7740 7738 H81 SLES 1 -16.0981 15.6555 -11.292 HAL2 7737 0 0 0 0.09 7741 7739 H82 SLES 1 -15.0043 17.0145 -10.8383 HAL2 7737 0 0 0 0.09 7742 7740 C9 SLES 1 -15.9782 16.038 -9.14514 CTL2 7737 7741 7742 7743 -0.18 7743 7741 H91 SLES 1 -16.9673 15.5821 -8.91237 HAL2 7740 0 0 0 0.09 7744 7742 H92 SLES 1 -15.8349 16.9109 -8.46918 HAL2 7740 0 0 0 0.09 7745 7743 C10 SLES 1 -14.8664 14.9981 -8.86935 CTL2 7740 7744 7745 7746 -0.18 7746 7744 H10 SLES 1 -15.0232 14.1145 -9.52912 HAL2 7743 0 0 0 0.09 7747 7745 H10 SLES 1 -13.8788 15.4458 -9.1229 HAL2 7743 0 0 0 0.09 7748 7746 C11 SLES 1 -14.8454 14.5288 -7.39043 CTL2 7743 7747 7748 7749 -0.18 7749 7747 H11 SLES 1 -15.8328 14.0757 -7.14379 HAL2 7746 0 0 0 0.09 7750 7748 H11 SLES 1 -14.7064 15.4179 -6.73387 HAL2 7746 0 0 0 0.09 7751 7749 C12 SLES 1 -13.7303 13.4976 -7.0778 CTL3 7746 7750 7751 7752 -0.27 7752 7750 H12 SLES 1 -14.1746 12.5509 -6.69867 HAL3 7749 0 0 0 0.09 7753 7751 H12 SLES 1 -13.0384 13.8989 -6.30478 HAL3 7749 0 0 0 0.09 7754 7752 H12 SLES 1 -13.144 13.2714 -7.99498 HAL3 7749 0 0 0 0.09 7755 7753 NA SLES 1 -17.797 37.4106 -15.3557 NA 0 0 0 0 1 7756 7754 S SLES 1 -16.9606 35.0135 -17.9834 SL 7755 7756 7757 7758 1.33 7757 7755 OS1 SLES 1 -16.6322 34.7871 -16.356 OSL 7754 7759 0 0 -0.28 7758 7756 OS2 SLES 1 -18.3919 35.2082 -18.0879 O2L 7754 0 0 0 -0.65 7759 7757 OS3 SLES 1 -16.2694 36.2261 -18.3689 O2L 7754 0 0 0 -0.65 7760 7758 OS4 SLES 1 -16.5464 33.9142 -18.8404 O2L 7754 0 0 0 -0.65 7761 7759 C2 SLES 1 -16.1542 33.3967 -16.1145 CC32A 7755 7760 7761 7762 -0.11 7762 7760 H2A SLES 1 -16.8983 32.6475 -16.5047 HCA2 7759 0 0 0 0.09 7763 7761 H2B SLES 1 -15.1775 33.2557 -16.6553 HCA2 7759 0 0 0 0.09 7764 7762 C1 SLES 1 -15.9389 33.1759 -14.5426 CC32A 7759 7763 7764 7765 -0.01 7765 7763 H1B SLES 1 -16.8831 33.4009 -13.9954 HCA2 7762 0 0 0 0.09 7766 7764 H1A SLES 1 -15.1371 33.8553 -14.1702 HCA2 7762 0 0 0 0.09 7767 7765 O1 SLES 1 -15.5613 31.8463 -14.0255 OC30A 7762 7766 0 0 -0.34 7768 7766 C2 SLES 1 -15.0154 30.9131 -14.9813 CC32A 7765 7767 7768 7769 -0.01 7769 7767 H2A SLES 1 -15.8532 30.8087 -15.6983 HCA2 7766 0 0 0 0.09 7770 7768 H2B SLES 1 -14.2051 31.5073 -15.4606 HCA2 7766 0 0 0 0.09 7771 7769 C1 SLES 1 -14.4747 29.498 -14.6039 CC32A 7766 7770 7771 7772 -0.01 7772 7770 H1B SLES 1 -15.2945 28.7508 -14.6791 HCA2 7769 0 0 0 0.09 7773 7771 H1A SLES 1 -13.6692 29.2137 -15.3103 HCA2 7769 0 0 0 0.09 7774 7772 O1 SLES 1 -13.9506 29.1656 -13.2781 OC30A 7769 7773 0 0 -0.34 7775 7773 C1 SLES 1 -12.9111 28.12 -13.2628 CTL2 7772 7774 7775 7776 -0.18 7776 7774 H11 SLES 1 -12.8856 27.671 -14.2722 HAL2 7773 0 0 0 0.09 7777 7775 H12 SLES 1 -11.9938 28.728 -13.1207 HAL2 7773 0 0 0 0.09 7778 7776 C2 SLES 1 -12.9692 26.9758 -12.1749 CTL2 7773 7777 7778 7779 -0.18 7779 7777 H21 SLES 1 -13.8794 27.1135 -11.5493 HAL2 7776 0 0 0 0.09 7780 7778 H22 SLES 1 -12.0812 27.0628 -11.5111 HAL2 7776 0 0 0 0.09 7781 7779 C3 SLES 1 -12.998 25.5084 -12.8263 CTL2 7776 7780 7781 7782 -0.18 7782 7780 H31 SLES 1 -14.034 25.1068 -12.7664 HAL2 7779 0 0 0 0.09 7783 7781 H32 SLES 1 -12.7239 25.5832 -13.8975 HAL2 7779 0 0 0 0.09 7784 7782 C4 SLES 1 -12.0113 24.4939 -12.1125 CTL2 7779 7783 7784 7785 -0.18 7785 7783 H41 SLES 1 -12.5988 23.8324 -11.4422 HAL2 7782 0 0 0 0.09 7786 7784 H42 SLES 1 -11.2919 25.0641 -11.4862 HAL2 7782 0 0 0 0.09 7787 7785 C5 SLES 1 -11.1971 23.5962 -13.1498 CTL2 7782 7786 7787 7788 -0.18 7788 7786 H51 SLES 1 -11.71 23.6259 -14.1365 HAL2 7785 0 0 0 0.09 7789 7787 H52 SLES 1 -10.1782 24.027 -13.2807 HAL2 7785 0 0 0 0.09 7790 7788 C6 SLES 1 -11.0635 22.0955 -12.6899 CTL2 7785 7789 7790 7791 -0.18 7791 7789 H61 SLES 1 -12.0525 21.595 -12.7928 HAL2 7788 0 0 0 0.09 7792 7790 H62 SLES 1 -10.3434 21.5734 -13.3625 HAL2 7788 0 0 0 0.09 7793 7791 C7 SLES 1 -10.5731 21.956 -11.214 CTL2 7788 7792 7793 7794 -0.18 7794 7792 H71 SLES 1 -11.4384 22.0981 -10.5293 HAL2 7791 0 0 0 0.09 7795 7793 H72 SLES 1 -9.83057 22.7567 -11 HAL2 7791 0 0 0 0.09 7796 7794 C8 SLES 1 -9.92612 20.5779 -10.9279 CTL2 7791 7795 7796 7797 -0.18 7797 7795 H81 SLES 1 -10.5746 19.7764 -11.3502 HAL2 7794 0 0 0 0.09 7798 7796 H82 SLES 1 -8.93812 20.5265 -11.4396 HAL2 7794 0 0 0 0.09 7799 7797 C9 SLES 1 -9.72581 20.3213 -9.41316 CTL2 7794 7798 7799 7800 -0.18 7800 7798 H91 SLES 1 -10.7099 20.4022 -8.89793 HAL2 7797 0 0 0 0.09 7801 7799 H92 SLES 1 -9.05507 21.1068 -8.99767 HAL2 7797 0 0 0 0.09 7802 7800 C10 SLES 1 -9.11598 18.9301 -9.11984 CTL2 7797 7801 7802 7803 -0.18 7803 7801 H10 SLES 1 -9.79838 18.1433 -9.51485 HAL2 7800 0 0 0 0.09 7804 7802 H10 SLES 1 -8.14232 18.8401 -9.6527 HAL2 7800 0 0 0 0.09 7805 7803 C11 SLES 1 -8.88827 18.6887 -7.60397 CTL2 7800 7804 7805 7806 -0.18 7806 7804 H11 SLES 1 -9.8659 18.7729 -7.07647 HAL2 7803 0 0 0 0.09 7807 7805 H11 SLES 1 -8.21996 19.4881 -7.2099 HAL2 7803 0 0 0 0.09 7808 7806 C12 SLES 1 -8.26197 17.3081 -7.27811 CTL3 7803 7807 7808 7809 -0.27 7809 7807 H12 SLES 1 -8.93636 16.7251 -6.61278 HAL3 7806 0 0 0 0.09 7810 7808 H12 SLES 1 -7.28389 17.4389 -6.76469 HAL3 7806 0 0 0 0.09 7811 7809 H12 SLES 1 -8.09712 16.7277 -8.21195 HAL3 7806 0 0 0 0.09 7812 7810 NA SLES 1 -3.78469 40.9933 -16.0408 NA 0 0 0 0 1 7813 7811 S SLES 1 -4.87667 38.4098 -18.3825 SL 7812 7813 7814 7815 1.33 7814 7812 OS1 SLES 1 -4.20866 38.1018 -16.8771 OSL 7811 7816 0 0 -0.28 7815 7813 OS2 SLES 1 -6.04664 39.2311 -18.1498 O2L 7811 0 0 0 -0.65 7816 7814 OS3 SLES 1 -3.88334 39.165 -19.1171 O2L 7811 0 0 0 -0.65 7817 7815 OS4 SLES 1 -5.24769 37.2202 -19.132 O2L 7811 0 0 0 -0.65 7818 7816 C2 SLES 1 -4.32258 36.6529 -16.5485 CC32A 7812 7817 7818 7819 -0.11 7819 7817 H2A SLES 1 -5.39403 36.3139 -16.6139 HCA2 7816 0 0 0 0.09 7820 7818 H2B SLES 1 -3.7099 36.0692 -17.2903 HCA2 7816 0 0 0 0.09 7821 7819 C1 SLES 1 -3.76522 36.3998 -15.0683 CC32A 7816 7820 7821 7822 -0.01 7822 7820 H1B SLES 1 -4.31237 37.0438 -14.3419 HCA2 7819 0 0 0 0.09 7823 7821 H1A SLES 1 -2.67961 36.65 -15.0235 HCA2 7819 0 0 0 0.09 7824 7822 O1 SLES 1 -3.8569 35.058 -14.4608 OC30A 7819 7823 0 0 -0.34 7825 7823 C2 SLES 1 -4.0739 33.9538 -15.3643 CC32A 7822 7824 7825 7826 -0.01 7826 7824 H2A SLES 1 -5.04719 34.2229 -15.8194 HCA2 7823 0 0 0 0.09 7827 7825 H2B SLES 1 -3.2709 34.1019 -16.121 HCA2 7823 0 0 0 0.09 7828 7826 C1 SLES 1 -4.10439 32.4581 -14.918 CC32A 7823 7827 7828 7829 -0.01 7829 7827 H1B SLES 1 -5.1459 32.1636 -14.6638 HCA2 7826 0 0 0 0.09 7830 7828 H1A SLES 1 -3.74843 31.8202 -15.7517 HCA2 7826 0 0 0 0.09 7831 7829 O1 SLES 1 -3.40429 31.9588 -13.7334 OC30A 7826 7830 0 0 -0.34 7832 7830 C1 SLES 1 -2.95891 30.5558 -13.8175 CTL2 7829 7831 7832 7833 -0.18 7833 7831 H11 SLES 1 -3.42944 30.1178 -14.7164 HAL2 7830 0 0 0 0.09 7834 7832 H12 SLES 1 -1.87372 30.6837 -14.0106 HAL2 7830 0 0 0 0.09 7835 7833 C2 SLES 1 -3.17341 29.5921 -12.584 CTL2 7830 7834 7835 7836 -0.18 7836 7834 H21 SLES 1 -3.70554 30.145 -11.7778 HAL2 7833 0 0 0 0.09 7837 7835 H22 SLES 1 -2.18056 29.2834 -12.1897 HAL2 7833 0 0 0 0.09 7838 7836 C3 SLES 1 -4.01874 28.2817 -12.9669 CTL2 7833 7837 7838 7839 -0.18 7839 7837 H31 SLES 1 -5.05702 28.3967 -12.5834 HAL2 7836 0 0 0 0.09 7840 7838 H32 SLES 1 -4.07161 28.1955 -14.0705 HAL2 7836 0 0 0 0.09 7841 7839 C4 SLES 1 -3.39727 26.9487 -12.376 CTL2 7836 7840 7841 7842 -0.18 7842 7840 H41 SLES 1 -3.98189 26.6444 -11.4828 HAL2 7839 0 0 0 0.09 7843 7841 H42 SLES 1 -2.35303 27.1457 -12.0508 HAL2 7839 0 0 0 0.09 7844 7842 C5 SLES 1 -3.39439 25.752 -13.4308 CTL2 7839 7843 7844 7845 -0.18 7845 7843 H51 SLES 1 -4.11324 25.9856 -14.247 HAL2 7842 0 0 0 0.09 7846 7844 H52 SLES 1 -2.37937 25.6689 -13.8822 HAL2 7842 0 0 0 0.09 7847 7845 C6 SLES 1 -3.78445 24.3672 -12.7891 CTL2 7842 7846 7847 7848 -0.18 7848 7846 H61 SLES 1 -4.87318 24.3686 -12.5573 HAL2 7845 0 0 0 0.09 7849 7847 H62 SLES 1 -3.59277 23.5574 -13.5313 HAL2 7845 0 0 0 0.09 7850 7848 C7 SLES 1 -2.98607 24.059 -11.483 CTL2 7845 7849 7850 7851 -0.18 7851 7849 H71 SLES 1 -3.46032 24.5969 -10.6324 HAL2 7848 0 0 0 0.09 7852 7850 H72 SLES 1 -1.94635 24.4399 -11.5935 HAL2 7848 0 0 0 0.09 7853 7851 C8 SLES 1 -2.93715 22.5455 -11.1567 CTL2 7848 7852 7853 7854 -0.18 7854 7852 H81 SLES 1 -3.95893 22.1155 -11.2687 HAL2 7851 0 0 0 0.09 7855 7853 H82 SLES 1 -2.26788 22.0371 -11.8876 HAL2 7851 0 0 0 0.09 7856 7854 C9 SLES 1 -2.4249 22.2658 -9.72152 CTL2 7851 7855 7856 7857 -0.18 7857 7855 H91 SLES 1 -3.07716 22.7987 -8.99288 HAL2 7854 0 0 0 0.09 7858 7856 H92 SLES 1 -1.39304 22.6711 -9.61914 HAL2 7854 0 0 0 0.09 7859 7857 C10 SLES 1 -2.41121 20.7577 -9.37683 CTL2 7854 7858 7859 7860 -0.18 7860 7858 H10 SLES 1 -3.44751 20.357 -9.45649 HAL2 7857 0 0 0 0.09 7861 7859 H10 SLES 1 -1.77695 20.221 -10.1182 HAL2 7857 0 0 0 0.09 7862 7860 C11 SLES 1 -1.86872 20.4792 -7.94991 CTL2 7857 7861 7862 7863 -0.18 7863 7861 H11 SLES 1 -2.51041 21.0125 -7.21173 HAL2 7860 0 0 0 0.09 7864 7862 H11 SLES 1 -0.839366 20.8974 -7.86956 HAL2 7860 0 0 0 0.09 7865 7863 C12 SLES 1 -1.82676 18.9739 -7.58002 CTL3 7860 7864 7865 7866 -0.27 7866 7864 H12 SLES 1 -2.45354 18.7789 -6.68198 HAL3 7863 0 0 0 0.09 7867 7865 H12 SLES 1 -0.783018 18.6591 -7.35888 HAL3 7863 0 0 0 0.09 7868 7866 H12 SLES 1 -2.21191 18.3576 -8.42145 HAL3 7863 0 0 0 0.09 7869 7867 NA SLES 1 10.4335 39.4429 -16.9554 NA 0 0 0 0 1 7870 7868 S SLES 1 7.67935 37.7934 -18.7003 SL 7869 7870 7871 7872 1.33 7871 7869 OS1 SLES 1 8.54322 37.1115 -17.4368 OSL 7868 7873 0 0 -0.28 7872 7870 OS2 SLES 1 7.12178 39.0301 -18.1931 O2L 7868 0 0 0 -0.65 7873 7871 OS3 SLES 1 8.64509 38.079 -19.7406 O2L 7868 0 0 0 -0.65 7874 7872 OS4 SLES 1 6.61793 36.9513 -19.2282 O2L 7868 0 0 0 -0.65 7875 7873 C2 SLES 1 7.8957 35.845 -16.9931 CC32A 7869 7874 7875 7876 -0.11 7876 7874 H2A SLES 1 6.81805 36.0239 -16.7214 HCA2 7873 0 0 0 0.09 7877 7875 H2B SLES 1 7.93994 35.1054 -17.8401 HCA2 7873 0 0 0 0.09 7878 7876 C1 SLES 1 8.68304 35.2632 -15.7252 CC32A 7873 7877 7878 7879 -0.01 7879 7877 H1B SLES 1 8.71677 36.0287 -14.916 HCA2 7876 0 0 0 0.09 7880 7878 H1A SLES 1 9.72715 35.0003 -16.0148 HCA2 7876 0 0 0 0.09 7881 7879 O1 SLES 1 8.18279 34.0621 -15.0289 OC30A 7876 7880 0 0 -0.34 7882 7880 C2 SLES 1 7.24537 33.2389 -15.7543 CC32A 7879 7881 7882 7883 -0.01 7883 7881 H2A SLES 1 6.40928 33.9454 -15.9239 HCA2 7880 0 0 0 0.09 7884 7882 H2B SLES 1 7.77279 33.069 -16.7199 HCA2 7880 0 0 0 0.09 7885 7883 C1 SLES 1 6.68167 31.8849 -15.2193 CC32A 7880 7884 7885 7886 -0.01 7886 7884 H1B SLES 1 5.74162 32.067 -14.6544 HCA2 7883 0 0 0 0.09 7887 7885 H1A SLES 1 6.4577 31.2179 -16.0758 HCA2 7883 0 0 0 0.09 7888 7886 O1 SLES 1 7.39469 31.0414 -14.2586 OC30A 7883 7887 0 0 -0.34 7889 7887 C1 SLES 1 7.12202 29.5971 -14.3745 CTL2 7886 7888 7889 7890 -0.18 7890 7888 H11 SLES 1 6.26823 29.481 -15.0664 HAL2 7887 0 0 0 0.09 7891 7889 H12 SLES 1 8.04251 29.2425 -14.8827 HAL2 7887 0 0 0 0.09 7892 7890 C2 SLES 1 6.86736 28.7425 -13.0702 CTL2 7887 7891 7892 7893 -0.18 7893 7891 H21 SLES 1 6.89624 29.4139 -12.1831 HAL2 7890 0 0 0 0.09 7894 7892 H22 SLES 1 7.68476 27.9964 -12.9617 HAL2 7890 0 0 0 0.09 7895 7893 C3 SLES 1 5.45627 27.9768 -13.1023 CTL2 7890 7894 7895 7896 -0.18 7896 7894 H31 SLES 1 4.73892 28.5135 -12.4422 HAL2 7893 0 0 0 0.09 7897 7895 H32 SLES 1 5.05389 28.0038 -14.1346 HAL2 7893 0 0 0 0.09 7898 7896 C4 SLES 1 5.55922 26.4674 -12.6297 CTL2 7893 7897 7898 7899 -0.18 7899 7897 H41 SLES 1 5.18662 26.3909 -11.5869 HAL2 7896 0 0 0 0.09 7900 7898 H42 SLES 1 6.62569 26.155 -12.6359 HAL2 7896 0 0 0 0.09 7901 7899 C5 SLES 1 4.72304 25.4748 -13.5572 CTL2 7896 7900 7901 7902 -0.18 7902 7900 H51 SLES 1 3.98226 26.0627 -14.143 HAL2 7899 0 0 0 0.09 7903 7901 H52 SLES 1 5.41526 24.9819 -14.2775 HAL2 7899 0 0 0 0.09 7904 7902 C6 SLES 1 3.96078 24.3657 -12.7386 CTL2 7899 7903 7904 7905 -0.18 7905 7903 H61 SLES 1 3.10616 24.8344 -12.2011 HAL2 7902 0 0 0 0.09 7906 7904 H62 SLES 1 3.54742 23.6116 -13.4486 HAL2 7902 0 0 0 0.09 7907 7905 C7 SLES 1 4.87731 23.6401 -11.7034 CTL2 7902 7906 7907 7908 -0.18 7908 7906 H71 SLES 1 4.96139 24.2692 -10.7897 HAL2 7905 0 0 0 0.09 7909 7907 H72 SLES 1 5.89593 23.5255 -12.1365 HAL2 7905 0 0 0 0.09 7910 7908 C8 SLES 1 4.33827 22.2436 -11.3048 CTL2 7905 7909 7910 7911 -0.18 7911 7909 H81 SLES 1 3.24865 22.3227 -11.086 HAL2 7908 0 0 0 0.09 7912 7910 H82 SLES 1 4.46717 21.5453 -12.1629 HAL2 7908 0 0 0 0.09 7913 7911 C9 SLES 1 5.06252 21.6615 -10.0651 CTL2 7908 7912 7913 7914 -0.18 7914 7912 H91 SLES 1 4.95831 22.3743 -9.2157 HAL2 7911 0 0 0 0.09 7915 7913 H92 SLES 1 6.14693 21.5567 -10.2943 HAL2 7911 0 0 0 0.09 7916 7914 C10 SLES 1 4.50135 20.2841 -9.63907 CTL2 7911 7915 7916 7917 -0.18 7917 7915 H10 SLES 1 3.42183 20.3934 -9.38714 HAL2 7914 0 0 0 0.09 7918 7916 H10 SLES 1 4.58492 19.5769 -10.4951 HAL2 7914 0 0 0 0.09 7919 7917 C11 SLES 1 5.24935 19.6902 -8.41609 CTL2 7914 7918 7919 7920 -0.18 7920 7918 H11 SLES 1 5.15703 20.3979 -7.56072 HAL2 7917 0 0 0 0.09 7921 7919 H11 SLES 1 6.33102 19.5996 -8.66653 HAL2 7917 0 0 0 0.09 7922 7920 C12 SLES 1 4.72066 18.3009 -7.97445 CTL3 7917 7921 7922 7923 -0.27 7923 7921 H12 SLES 1 4.36249 18.3404 -6.92207 HAL3 7920 0 0 0 0.09 7924 7922 H12 SLES 1 5.52843 17.5395 -8.04562 HAL3 7920 0 0 0 0.09 7925 7923 H12 SLES 1 3.8763 17.9835 -8.62441 HAL3 7920 0 0 0 0.09 7926 7924 NA SLES 1 22.9732 33.1436 -18.0503 NA 0 0 0 0 1 7927 7925 S SLES 1 19.4325 33.1693 -18.9521 SL 7926 7927 7928 7929 1.33 7928 7926 OS1 SLES 1 20.1641 31.9825 -18.0228 OSL 7925 7930 0 0 -0.28 7929 7927 OS2 SLES 1 19.6588 34.4237 -18.2645 O2L 7925 0 0 0 -0.65 7930 7928 OS3 SLES 1 20.1276 33.1719 -20.2223 O2L 7925 0 0 0 -0.65 7931 7929 OS4 SLES 1 18.008 32.9729 -19.1681 O2L 7925 0 0 0 -0.65 7932 7930 C2 SLES 1 19.1358 31.0709 -17.4469 CC32A 7926 7931 7932 7933 -0.11 7933 7931 H2A SLES 1 18.3703 31.6542 -16.863 HCA2 7930 0 0 0 0.09 7934 7932 H2B SLES 1 18.6195 30.5358 -18.2915 HCA2 7930 0 0 0 0.09 7935 7933 C1 SLES 1 19.8499 30.0053 -16.4876 CC32A 7930 7934 7935 7936 -0.01 7936 7934 H1B SLES 1 20.4351 30.5354 -15.7013 HCA2 7933 0 0 0 0.09 7937 7935 H1A SLES 1 20.5434 29.3651 -17.0812 HCA2 7933 0 0 0 0.09 7938 7936 O1 SLES 1 19.0399 29.046 -15.712 OC30A 7933 7937 0 0 -0.34 7939 7937 C2 SLES 1 17.6805 28.8446 -16.1527 CC32A 7936 7938 7939 7940 -0.01 7940 7938 H2A SLES 1 17.2557 29.8619 -16.0452 HCA2 7937 0 0 0 0.09 7941 7939 H2B SLES 1 17.8101 28.6226 -17.2358 HCA2 7937 0 0 0 0.09 7942 7940 C1 SLES 1 16.7055 27.8041 -15.5172 CC32A 7937 7941 7942 7943 -0.01 7943 7941 H1B SLES 1 16.1313 28.2821 -14.6939 HCA2 7940 0 0 0 0.09 7944 7942 H1A SLES 1 15.9925 27.4516 -16.2892 HCA2 7940 0 0 0 0.09 7945 7943 O1 SLES 1 17.1586 26.5895 -14.8372 OC30A 7940 7944 0 0 -0.34 7946 7944 C1 SLES 1 16.2273 25.4489 -14.912 CTL2 7943 7945 7946 7947 -0.18 7947 7945 H11 SLES 1 15.2757 25.8314 -15.3234 HAL2 7944 0 0 0 0.09 7948 7946 H12 SLES 1 16.7188 24.8173 -15.6806 HAL2 7944 0 0 0 0.09 7949 7947 C2 SLES 1 15.938 24.5897 -13.618 CTL2 7944 7948 7949 7950 -0.18 7950 7948 H21 SLES 1 16.4947 25.0261 -12.7587 HAL2 7947 0 0 0 0.09 7951 7949 H22 SLES 1 16.3133 23.5555 -13.7795 HAL2 7947 0 0 0 0.09 7952 7950 C3 SLES 1 14.3749 24.532 -13.2547 CTL2 7947 7951 7952 7953 -0.18 7953 7951 H31 SLES 1 14.1783 25.2113 -12.3956 HAL2 7950 0 0 0 0.09 7954 7952 H32 SLES 1 13.7889 24.9003 -14.1202 HAL2 7950 0 0 0 0.09 7955 7953 C4 SLES 1 13.8789 23.0737 -12.8808 CTL2 7950 7954 7955 7956 -0.18 7956 7954 H41 SLES 1 13.7857 22.9974 -11.7774 HAL2 7953 0 0 0 0.09 7957 7955 H42 SLES 1 14.6388 22.3336 -13.2122 HAL2 7953 0 0 0 0.09 7958 7956 C5 SLES 1 12.4767 22.7114 -13.5497 CTL2 7953 7957 7958 7959 -0.18 7959 7957 H51 SLES 1 11.9745 23.6504 -13.8714 HAL2 7956 0 0 0 0.09 7960 7958 H52 SLES 1 12.6573 22.0916 -14.4575 HAL2 7956 0 0 0 0.09 7961 7959 C6 SLES 1 11.517 21.9277 -12.577 CTL2 7956 7960 7961 7962 -0.18 7962 7960 H61 SLES 1 11.1418 22.6268 -11.7963 HAL2 7959 0 0 0 0.09 7963 7961 H62 SLES 1 10.6391 21.5566 -13.1559 HAL2 7959 0 0 0 0.09 7964 7962 C7 SLES 1 12.2164 20.7166 -11.8825 CTL2 7959 7963 7964 7965 -0.18 7965 7963 H71 SLES 1 12.8071 21.0871 -11.0155 HAL2 7962 0 0 0 0.09 7966 7964 H72 SLES 1 12.9215 20.2424 -12.6011 HAL2 7962 0 0 0 0.09 7967 7965 C8 SLES 1 11.2087 19.6501 -11.3858 CTL2 7962 7966 7967 7968 -0.18 7968 7966 H81 SLES 1 10.3735 20.1589 -10.8519 HAL2 7965 0 0 0 0.09 7969 7967 H82 SLES 1 10.7808 19.1164 -12.2649 HAL2 7965 0 0 0 0.09 7970 7968 C9 SLES 1 11.8621 18.6162 -10.4347 CTL2 7965 7969 7970 7971 -0.18 7971 7969 H91 SLES 1 12.3155 19.1533 -9.57083 HAL2 7968 0 0 0 0.09 7972 7970 H92 SLES 1 12.6783 18.0886 -10.9778 HAL2 7968 0 0 0 0.09 7973 7971 C10 SLES 1 10.8513 17.5718 -9.90467 CTL2 7968 7972 7973 7974 -0.18 7974 7972 H10 SLES 1 10.0469 18.0975 -9.34124 HAL2 7971 0 0 0 0.09 7975 7973 H10 SLES 1 10.3812 17.0497 -10.7686 HAL2 7971 0 0 0 0.09 7976 7974 C11 SLES 1 11.5151 16.5199 -8.97695 CTL2 7971 7975 7976 7977 -0.18 7977 7975 H11 SLES 1 11.9778 17.0464 -8.11103 HAL2 7974 0 0 0 0.09 7978 7976 H11 SLES 1 12.3304 16.0095 -9.53901 HAL2 7974 0 0 0 0.09 7979 7977 C12 SLES 1 10.5303 15.4482 -8.44199 CTL3 7974 7978 7979 7980 -0.27 7980 7978 H12 SLES 1 10.5056 15.4667 -7.33006 HAL3 7977 0 0 0 0.09 7981 7979 H12 SLES 1 10.8457 14.434 -8.77267 HAL3 7977 0 0 0 0.09 7982 7980 H12 SLES 1 9.50365 15.6416 -8.82243 HAL3 7977 0 0 0 0.09 7983 7981 NA SLES 1 32.3216 23.1647 -19.256 NA 0 0 0 0 1 7984 7982 S SLES 1 29.1249 24.932 -19.1611 SL 7983 7984 7985 7986 1.33 7985 7983 OS1 SLES 1 29.3558 23.3632 -18.6197 OSL 7982 7987 0 0 -0.28 7986 7984 OS2 SLES 1 30.0413 25.7629 -18.4079 O2L 7982 0 0 0 -0.65 7987 7985 OS3 SLES 1 29.4959 24.9337 -20.5607 O2L 7982 0 0 0 -0.65 7988 7986 OS4 SLES 1 27.7667 25.4283 -19.0086 O2L 7982 0 0 0 -0.65 7989 7987 C2 SLES 1 28.1399 22.8788 -17.9074 CC32A 7983 7988 7989 7990 -0.11 7990 7988 H2A SLES 1 27.8643 23.5794 -17.0706 HCA2 7987 0 0 0 0.09 7991 7989 H2B SLES 1 27.2888 22.8362 -18.6422 HCA2 7987 0 0 0 0.09 7992 7990 C1 SLES 1 28.419 21.416 -17.3174 CC32A 7987 7991 7992 7993 -0.01 7993 7991 H1B SLES 1 29.3166 21.4383 -16.6575 HCA2 7990 0 0 0 0.09 7994 7992 H1A SLES 1 28.6038 20.6993 -18.1513 HCA2 7990 0 0 0 0.09 7995 7993 O1 SLES 1 27.4041 20.7484 -16.4793 OC30A 7990 7994 0 0 -0.34 7996 7994 C2 SLES 1 26.0592 21.2654 -16.5596 CC32A 7993 7995 7996 7997 -0.01 7997 7995 H2A SLES 1 26.1979 22.3089 -16.2148 HCA2 7994 0 0 0 0.09 7998 7996 H2B SLES 1 25.8701 21.2723 -17.6566 HCA2 7994 0 0 0 0.09 7999 7997 C1 SLES 1 24.8384 20.6318 -15.821 CC32A 7994 7998 7999 8000 -0.01 8000 7998 H1B SLES 1 24.7203 21.1015 -14.8203 HCA2 7997 0 0 0 0.09 8001 7999 H1A SLES 1 23.9181 20.816 -16.4106 HCA2 7997 0 0 0 0.09 8002 8000 O1 SLES 1 24.7716 19.2183 -15.4462 OC30A 7997 8001 0 0 -0.34 8003 8001 C1 SLES 1 23.4131 18.6464 -15.4102 CTL2 8000 8002 8003 8004 -0.18 8004 8002 H11 SLES 1 22.7026 19.4882 -15.499 HAL2 8001 0 0 0 0.09 8005 8003 H12 SLES 1 23.3968 18.0659 -16.3557 HAL2 8001 0 0 0 0.09 8006 8004 C2 SLES 1 22.9873 17.7182 -14.2046 CTL2 8001 8005 8006 8007 -0.18 8007 8005 H21 SLES 1 23.8289 17.6539 -13.4792 HAL2 8004 0 0 0 0.09 8008 8006 H22 SLES 1 22.7882 16.6942 -14.5897 HAL2 8004 0 0 0 0.09 8009 8007 C3 SLES 1 21.6801 18.2583 -13.4443 CTL2 8004 8008 8009 8010 -0.18 8010 8008 H31 SLES 1 21.9893 18.7314 -12.4857 HAL2 8007 0 0 0 0.09 8011 8009 H32 SLES 1 21.1958 19.0368 -14.0669 HAL2 8007 0 0 0 0.09 8012 8010 C4 SLES 1 20.6254 17.1158 -13.137 CTL2 8007 8011 8012 8013 -0.18 8013 8011 H41 SLES 1 20.7073 16.8289 -12.0678 HAL2 8010 0 0 0 0.09 8014 8012 H42 SLES 1 20.8669 16.2214 -13.7509 HAL2 8010 0 0 0 0.09 8015 8013 C5 SLES 1 19.1259 17.5652 -13.4438 CTL2 8010 8014 8015 8016 -0.18 8016 8014 H51 SLES 1 19.0834 18.6755 -13.4979 HAL2 8013 0 0 0 0.09 8017 8015 H52 SLES 1 18.8225 17.1624 -14.4371 HAL2 8013 0 0 0 0.09 8018 8016 C6 SLES 1 18.1013 17.0686 -12.3552 CTL2 8013 8017 8018 8019 -0.18 8019 8017 H61 SLES 1 18.2521 17.6546 -11.4209 HAL2 8016 0 0 0 0.09 8020 8018 H62 SLES 1 17.0649 17.2624 -12.7182 HAL2 8016 0 0 0 0.09 8021 8019 C7 SLES 1 18.2507 15.5481 -12.0323 CTL2 8016 8020 8021 8022 -0.18 8022 8020 H71 SLES 1 19.0915 15.4101 -11.3169 HAL2 8019 0 0 0 0.09 8023 8021 H72 SLES 1 18.5022 15.0004 -12.9678 HAL2 8019 0 0 0 0.09 8024 8022 C8 SLES 1 16.9645 14.9388 -11.4208 CTL2 8019 8023 8024 8025 -0.18 8025 8023 H81 SLES 1 16.5844 15.6166 -10.6223 HAL2 8022 0 0 0 0.09 8026 8024 H82 SLES 1 16.1839 14.8674 -12.212 HAL2 8022 0 0 0 0.09 8027 8025 C9 SLES 1 17.2049 13.5318 -10.8183 CTL2 8022 8026 8027 8028 -0.18 8028 8026 H91 SLES 1 18.0065 13.5988 -10.048 HAL2 8025 0 0 0 0.09 8029 8027 H92 SLES 1 17.5581 12.8481 -11.6228 HAL2 8025 0 0 0 0.09 8030 8028 C10 SLES 1 15.9326 12.9351 -10.1713 CTL2 8025 8029 8030 8031 -0.18 8031 8029 H10 SLES 1 15.5924 13.6073 -9.35079 HAL2 8028 0 0 0 0.09 8032 8030 H10 SLES 1 15.1238 12.8884 -10.9353 HAL2 8028 0 0 0 0.09 8033 8031 C11 SLES 1 16.1692 11.5134 -9.5962 CTL2 8028 8032 8033 8034 -0.18 8034 8032 H11 SLES 1 16.9741 11.5667 -8.82775 HAL2 8031 0 0 0 0.09 8035 8033 H11 SLES 1 16.5264 10.8496 -10.4164 HAL2 8031 0 0 0 0.09 8036 8034 C12 SLES 1 14.9071 10.8806 -8.95492 CTL3 8031 8035 8036 8037 -0.27 8037 8035 H12 SLES 1 15.0946 10.6446 -7.88419 HAL3 8034 0 0 0 0.09 8038 8036 H12 SLES 1 14.6356 9.93997 -9.48293 HAL3 8034 0 0 0 0.09 8039 8037 H12 SLES 1 14.0475 11.5829 -9.01762 HAL3 8034 0 0 0 0.09 8040 8038 NA SLES 1 37.5682 10.9937 -20.4902 NA 0 0 0 0 1 8041 8039 S SLES 1 35.6342 13.8783 -19.3549 SL 8040 8041 8042 8043 1.33 8042 8040 OS1 SLES 1 35.1327 12.2861 -19.2105 OSL 8039 8044 0 0 -0.28 8043 8041 OS2 SLES 1 36.9009 13.9721 -18.6591 O2L 8039 0 0 0 -0.65 8044 8042 OS3 SLES 1 35.8315 14.1116 -20.7702 O2L 8039 0 0 0 -0.65 8045 8043 OS4 SLES 1 34.7005 14.8552 -18.8179 O2L 8039 0 0 0 -0.65 8046 8044 C2 SLES 1 33.9039 12.206 -18.3714 CC32A 8040 8045 8046 8047 -0.11 8047 8045 H2A SLES 1 34.0754 12.6887 -17.369 HCA2 8044 0 0 0 0.09 8048 8046 H2B SLES 1 33.0738 12.7508 -18.9009 HCA2 8044 0 0 0 0.09 8049 8047 C1 SLES 1 33.4996 10.6693 -18.169 CC32A 8044 8048 8049 8050 -0.01 8050 8048 H1B SLES 1 34.3538 10.1079 -17.7251 HCA2 8047 0 0 0 0.09 8051 8049 H1A SLES 1 33.2415 10.212 -19.1526 HCA2 8047 0 0 0 0.09 8052 8050 O1 SLES 1 32.37 10.3093 -17.2903 OC30A 8047 8051 0 0 -0.34 8053 8051 C2 SLES 1 31.4367 11.3636 -16.9742 CC32A 8050 8052 8053 8054 -0.01 8054 8052 H2A SLES 1 32.0894 12.0955 -16.4592 HCA2 8051 0 0 0 0.09 8055 8053 H2B SLES 1 31.1752 11.762 -17.9803 HCA2 8051 0 0 0 0.09 8056 8054 C1 SLES 1 30.1345 11.151 -16.1397 CC32A 8051 8055 8056 8057 -0.01 8057 8055 H1B SLES 1 30.3475 11.3213 -15.0619 HCA2 8054 0 0 0 0.09 8058 8056 H1A SLES 1 29.3659 11.8786 -16.4691 HCA2 8054 0 0 0 0.09 8059 8057 O1 SLES 1 29.4325 9.86899 -16.0591 OC30A 8054 8058 0 0 -0.34 8060 8058 C1 SLES 1 27.9757 9.96775 -15.8536 CTL2 8057 8059 8060 8061 -0.18 8061 8059 H11 SLES 1 27.7512 11.0228 -15.6136 HAL2 8058 0 0 0 0.09 8062 8060 H12 SLES 1 27.5972 9.74648 -16.873 HAL2 8058 0 0 0 0.09 8063 8061 C2 SLES 1 27.2686 9.02303 -14.8031 CTL2 8058 8062 8063 8064 -0.18 8064 8062 H21 SLES 1 28.0383 8.3939 -14.3025 HAL2 8061 0 0 0 0.09 8065 8063 H22 SLES 1 26.5688 8.34563 -15.3397 HAL2 8061 0 0 0 0.09 8066 8064 C3 SLES 1 26.4557 9.84338 -13.6874 CTL2 8061 8065 8066 8067 -0.18 8067 8065 H31 SLES 1 27.0396 9.84072 -12.7401 HAL2 8064 0 0 0 0.09 8068 8066 H32 SLES 1 26.3498 10.8957 -14.0183 HAL2 8064 0 0 0 0.09 8069 8067 C4 SLES 1 25.0153 9.24541 -13.4051 CTL2 8064 8068 8069 8070 -0.18 8070 8068 H41 SLES 1 25.0463 8.6632 -12.4605 HAL2 8067 0 0 0 0.09 8071 8069 H42 SLES 1 24.7414 8.54961 -14.2272 HAL2 8067 0 0 0 0.09 8072 8070 C5 SLES 1 23.8941 10.3739 -13.2864 CTL2 8067 8071 8072 8073 -0.18 8073 8071 H51 SLES 1 24.3845 11.3548 -13.1 HAL2 8070 0 0 0 0.09 8074 8072 H52 SLES 1 23.3459 10.4438 -14.2536 HAL2 8070 0 0 0 0.09 8075 8073 C6 SLES 1 22.8606 10.0932 -12.1311 CTL2 8070 8074 8075 8076 -0.18 8076 8074 H61 SLES 1 23.3582 10.2634 -11.15 HAL2 8073 0 0 0 0.09 8077 8075 H62 SLES 1 22.016 10.8161 -12.2173 HAL2 8073 0 0 0 0.09 8078 8076 C7 SLES 1 22.2913 8.63969 -12.1681 CTL2 8073 8077 8078 8079 -0.18 8079 8077 H71 SLES 1 23.024 7.95089 -11.6922 HAL2 8076 0 0 0 0.09 8080 8078 H72 SLES 1 22.1631 8.3259 -13.228 HAL2 8076 0 0 0 0.09 8081 8079 C8 SLES 1 20.9321 8.51234 -11.4361 CTL2 8076 8080 8081 8082 -0.18 8082 8080 H81 SLES 1 20.9979 9.03222 -10.4528 HAL2 8079 0 0 0 0.09 8083 8081 H82 SLES 1 20.1446 9.0175 -12.0404 HAL2 8079 0 0 0 0.09 8084 8082 C9 SLES 1 20.522 7.03675 -11.202 CTL2 8079 8083 8084 8085 -0.18 8085 8083 H91 SLES 1 21.3238 6.52456 -10.623 HAL2 8082 0 0 0 0.09 8086 8084 H92 SLES 1 20.4293 6.52534 -12.1865 HAL2 8082 0 0 0 0.09 8087 8085 C10 SLES 1 19.1842 6.90415 -10.4364 CTL2 8082 8086 8087 8088 -0.18 8088 8086 H10 SLES 1 19.2842 7.39548 -9.44174 HAL2 8085 0 0 0 0.09 8089 8087 H10 SLES 1 18.3865 7.43501 -11.0037 HAL2 8085 0 0 0 0.09 8090 8088 C11 SLES 1 18.7613 5.42537 -10.2307 CTL2 8085 8089 8090 8091 -0.18 8091 8089 H11 SLES 1 19.5592 4.90054 -9.65707 HAL2 8088 0 0 0 0.09 8092 8090 H11 SLES 1 18.6802 4.93362 -11.227 HAL2 8088 0 0 0 0.09 8093 8091 C12 SLES 1 17.4146 5.25906 -9.48025 CTL3 8088 8092 8093 8094 -0.27 8094 8092 H12 SLES 1 17.5624 4.67337 -8.5462 HAL3 8091 0 0 0 0.09 8095 8093 H12 SLES 1 16.6786 4.72491 -10.1208 HAL3 8091 0 0 0 0.09 8096 8094 H12 SLES 1 16.9954 6.25335 -9.21237 HAL3 8091 0 0 0 0.09 8097 8095 NA SLES 1 38.4636 -1.78727 -21.6666 NA 0 0 0 0 1 8098 8096 S SLES 1 38.117 1.18013 -19.563 SL 8097 8098 8099 8100 1.33 8099 8097 OS1 SLES 1 36.9201 0.0276823 -19.7789 OSL 8096 8101 0 0 -0.28 8100 8098 OS2 SLES 1 39.2712 0.477432 -19.042 O2L 8096 0 0 0 -0.65 8101 8099 OS3 SLES 1 38.4131 1.70476 -20.8797 O2L 8096 0 0 0 -0.65 8102 8100 OS4 SLES 1 37.753 2.26672 -18.6679 O2L 8096 0 0 0 -0.65 8103 8101 C2 SLES 1 35.793 0.271098 -18.8351 CC32A 8097 8102 8103 8104 -0.11 8104 8102 H2A SLES 1 36.1642 0.302411 -17.7729 HCA2 8101 0 0 0 0.09 8105 8103 H2B SLES 1 35.3243 1.26274 -19.0866 HCA2 8101 0 0 0 0.09 8106 8104 C1 SLES 1 34.7075 -0.896066 -18.9938 CC32A 8101 8105 8106 8107 -0.01 8107 8105 H1B SLES 1 35.1901 -1.88728 -18.8316 HCA2 8104 0 0 0 0.09 8108 8106 H1A SLES 1 34.2718 -0.872245 -20.0198 HCA2 8104 0 0 0 0.09 8109 8107 O1 SLES 1 33.5347 -0.944665 -18.0992 OC30A 8104 8108 0 0 -0.34 8110 8108 C2 SLES 1 33.2095 0.272051 -17.3947 CC32A 8107 8109 8110 8111 -0.01 8111 8109 H2A SLES 1 34.1267 0.437994 -16.7962 HCA2 8108 0 0 0 0.09 8112 8110 H2B SLES 1 33.1762 1.02301 -18.2158 HCA2 8108 0 0 0 0.09 8113 8111 C1 SLES 1 31.955 0.438804 -16.4805 CC32A 8108 8112 8113 8114 -0.01 8114 8112 H1B SLES 1 32.2143 0.166494 -15.4343 HCA2 8111 0 0 0 0.09 8115 8113 H1A SLES 1 31.6255 1.49694 -16.5008 HCA2 8111 0 0 0 0.09 8116 8114 O1 SLES 1 30.7289 -0.342994 -16.6487 OC30A 8111 8115 0 0 -0.34 8117 8115 C1 SLES 1 29.491 0.341542 -16.2326 CTL2 8114 8116 8117 8118 -0.18 8118 8116 H11 SLES 1 29.791 1.25915 -15.6948 HAL2 8115 0 0 0 0.09 8119 8117 H12 SLES 1 29.0614 0.628983 -17.2145 HAL2 8115 0 0 0 0.09 8120 8118 C2 SLES 1 28.4121 -0.441213 -15.3845 CTL2 8115 8119 8120 8121 -0.18 8121 8119 H21 SLES 1 28.7878 -1.4677 -15.1748 HAL2 8118 0 0 0 0.09 8122 8120 H22 SLES 1 27.4794 -0.533603 -15.983 HAL2 8118 0 0 0 0.09 8123 8121 C3 SLES 1 28.0754 0.287858 -13.994 CTL2 8118 8122 8123 8124 -0.18 8124 8122 H31 SLES 1 28.5804 -0.259806 -13.1673 HAL2 8121 0 0 0 0.09 8125 8123 H32 SLES 1 28.4832 1.31806 -14.0181 HAL2 8121 0 0 0 0.09 8126 8124 C4 SLES 1 26.5212 0.356914 -13.6907 CTL2 8121 8125 8126 8127 -0.18 8127 8125 H41 SLES 1 26.265 -0.42556 -12.9462 HAL2 8124 0 0 0 0.09 8128 8126 H42 SLES 1 25.9574 0.13979 -14.6234 HAL2 8124 0 0 0 0.09 8129 8127 C5 SLES 1 26.0673 1.77977 -13.1301 CTL2 8124 8128 8129 8130 -0.18 8130 8128 H51 SLES 1 26.9623 2.32588 -12.7582 HAL2 8127 0 0 0 0.09 8131 8129 H52 SLES 1 25.6257 2.37353 -13.9628 HAL2 8127 0 0 0 0.09 8132 8130 C6 SLES 1 25.0146 1.67232 -11.9632 CTL2 8127 8131 8132 8133 -0.18 8133 8131 H61 SLES 1 25.5252 1.29912 -11.0472 HAL2 8130 0 0 0 0.09 8134 8132 H62 SLES 1 24.6138 2.6892 -11.7424 HAL2 8130 0 0 0 0.09 8135 8133 C7 SLES 1 23.8251 0.72082 -12.3067 CTL2 8130 8134 8135 8136 -0.18 8136 8134 H71 SLES 1 24.1402 -0.331682 -12.1314 HAL2 8133 0 0 0 0.09 8137 8135 H72 SLES 1 23.5724 0.828712 -13.3851 HAL2 8133 0 0 0 0.09 8138 8136 C8 SLES 1 22.5616 1.01542 -11.4603 CTL2 8133 8137 8138 8139 -0.18 8139 8137 H81 SLES 1 22.8576 1.13171 -10.3924 HAL2 8136 0 0 0 0.09 8140 8138 H82 SLES 1 22.1124 1.97652 -11.7995 HAL2 8136 0 0 0 0.09 8141 8139 C9 SLES 1 21.4997 -0.107144 -11.5718 CTL2 8136 8140 8141 8142 -0.18 8142 8140 H91 SLES 1 21.9584 -1.07312 -11.2606 HAL2 8139 0 0 0 0.09 8143 8141 H92 SLES 1 21.184 -0.203668 -12.6351 HAL2 8139 0 0 0 0.09 8144 8142 C10 SLES 1 20.2523 0.163422 -10.6976 CTL2 8139 8143 8144 8145 -0.18 8145 8143 H10 SLES 1 20.5647 0.236813 -9.63093 HAL2 8142 0 0 0 0.09 8146 8144 H10 SLES 1 19.8059 1.13981 -10.9932 HAL2 8142 0 0 0 0.09 8147 8145 C11 SLES 1 19.1777 -0.947573 -10.8354 CTL2 8142 8146 8147 8148 -0.18 8148 8146 H11 SLES 1 19.6271 -1.92083 -10.5321 HAL2 8145 0 0 0 0.09 8149 8147 H11 SLES 1 18.8817 -1.0294 -11.9062 HAL2 8145 0 0 0 0.09 8150 8148 C12 SLES 1 17.9067 -0.696831 -9.9833 CTL3 8145 8149 8150 8151 -0.27 8151 8149 H12 SLES 1 17.7517 -1.5322 -9.26534 HAL3 8148 0 0 0 0.09 8152 8150 H12 SLES 1 17.0108 -0.621678 -10.6384 HAL3 8148 0 0 0 0.09 8153 8151 H12 SLES 1 18.0061 0.250002 -9.40907 HAL3 8148 0 0 0 0.09 8154 8152 NA SLES 1 35.3102 -13.7755 -22.7047 NA 0 0 0 0 1 8155 8153 S SLES 1 36.1574 -11.7082 -19.8135 SL 8154 8155 8156 8157 1.33 8156 8154 OS1 SLES 1 34.5932 -12.045 -20.3108 OSL 8153 8158 0 0 -0.28 8157 8155 OS2 SLES 1 36.7912 -12.9865 -19.5656 O2L 8153 0 0 0 -0.65 8158 8156 OS3 SLES 1 36.8014 -11.0476 -20.9296 O2L 8153 0 0 0 -0.65 8159 8157 OS4 SLES 1 36.2457 -10.873 -18.6264 O2L 8153 0 0 0 -0.65 8160 8158 C2 SLES 1 33.6142 -11.5665 -19.2945 CC32A 8154 8159 8160 8161 -0.11 8161 8159 H2A SLES 1 33.842 -12.0086 -18.2846 HCA2 8158 0 0 0 0.09 8162 8160 H2B SLES 1 33.6886 -10.4457 -19.2267 HCA2 8158 0 0 0 0.09 8163 8161 C1 SLES 1 32.1351 -11.9842 -19.7457 CC32A 8158 8162 8163 8164 -0.01 8164 8162 H1B SLES 1 32.0827 -13.0866 -19.8992 HCA2 8161 0 0 0 0.09 8165 8163 H1A SLES 1 31.8722 -11.4754 -20.7024 HCA2 8161 0 0 0 0.09 8166 8164 O1 SLES 1 30.9857 -11.7147 -18.8601 OC30A 8161 8165 0 0 -0.34 8167 8165 C2 SLES 1 31.1888 -10.7368 -17.8185 CC32A 8164 8166 8167 8168 -0.01 8168 8166 H2A SLES 1 32.0088 -11.1976 -17.2334 HCA2 8165 0 0 0 0.09 8169 8167 H2B SLES 1 31.5953 -9.86705 -18.3822 HCA2 8165 0 0 0 0.09 8170 8168 C1 SLES 1 30.0654 -10.2538 -16.848 CC32A 8165 8169 8170 8171 -0.01 8171 8169 H1B SLES 1 30.0557 -10.8923 -15.9379 HCA2 8168 0 0 0 0.09 8172 8170 H1A SLES 1 30.2684 -9.20706 -16.5452 HCA2 8168 0 0 0 0.09 8173 8171 O1 SLES 1 28.6423 -10.2799 -17.1902 OC30A 8168 8172 0 0 -0.34 8174 8172 C1 SLES 1 27.8267 -9.23484 -16.5448 CTL2 8171 8173 8174 8175 -0.18 8175 8173 H11 SLES 1 28.4587 -8.75762 -15.7741 HAL2 8172 0 0 0 0.09 8176 8174 H12 SLES 1 27.6867 -8.5206 -17.3823 HAL2 8172 0 0 0 0.09 8177 8175 C2 SLES 1 26.4243 -9.61109 -15.9218 CTL2 8172 8176 8177 8178 -0.18 8178 8176 H21 SLES 1 26.2564 -10.7054 -16.0361 HAL2 8175 0 0 0 0.09 8179 8177 H22 SLES 1 25.6249 -9.08142 -16.4848 HAL2 8175 0 0 0 0.09 8180 8178 C3 SLES 1 26.3182 -9.22422 -14.367 CTL2 8175 8179 8180 8181 -0.18 8181 8179 H31 SLES 1 26.4203 -10.1491 -13.7567 HAL2 8178 0 0 0 0.09 8182 8180 H32 SLES 1 27.1572 -8.54942 -14.1044 HAL2 8178 0 0 0 0.09 8183 8181 C4 SLES 1 24.9509 -8.51285 -13.9972 CTL2 8178 8182 8183 8184 -0.18 8184 8182 H41 SLES 1 24.2834 -9.2505 -13.5049 HAL2 8181 0 0 0 0.09 8185 8183 H42 SLES 1 24.4536 -8.17046 -14.9302 HAL2 8181 0 0 0 0.09 8186 8184 C5 SLES 1 25.1517 -7.26182 -13.028 CTL2 8181 8185 8186 8187 -0.18 8187 8185 H51 SLES 1 26.1525 -7.33182 -12.5474 HAL2 8184 0 0 0 0.09 8188 8186 H52 SLES 1 25.1273 -6.32675 -13.633 HAL2 8184 0 0 0 0.09 8189 8187 C6 SLES 1 24.0517 -7.17345 -11.9039 CTL2 8184 8188 8189 8190 -0.18 8190 8188 H61 SLES 1 24.2301 -7.97968 -11.1575 HAL2 8187 0 0 0 0.09 8191 8189 H62 SLES 1 24.1472 -6.19369 -11.3801 HAL2 8187 0 0 0 0.09 8192 8190 C7 SLES 1 22.6008 -7.31059 -12.4647 CTL2 8187 8191 8192 8193 -0.18 8193 8191 H71 SLES 1 22.3712 -8.38846 -12.6171 HAL2 8190 0 0 0 0.09 8194 8192 H72 SLES 1 22.5435 -6.8039 -13.4538 HAL2 8190 0 0 0 0.09 8195 8193 C8 SLES 1 21.536 -6.69787 -11.5212 CTL2 8190 8194 8195 8196 -0.18 8196 8194 H81 SLES 1 21.7365 -7.03472 -10.4782 HAL2 8193 0 0 0 0.09 8197 8195 H82 SLES 1 21.6226 -5.58772 -11.5469 HAL2 8193 0 0 0 0.09 8198 8196 C9 SLES 1 20.0932 -7.10239 -11.9152 CTL2 8193 8197 8198 8199 -0.18 8199 8197 H91 SLES 1 20.0156 -8.21338 -11.918 HAL2 8196 0 0 0 0.09 8200 8198 H92 SLES 1 19.8841 -6.74092 -12.9472 HAL2 8196 0 0 0 0.09 8201 8199 C10 SLES 1 19.0284 -6.52503 -10.9528 CTL2 8196 8200 8201 8202 -0.18 8202 8200 H10 SLES 1 19.2236 -6.90525 -9.92413 HAL2 8199 0 0 0 0.09 8203 8201 H10 SLES 1 19.12 -5.41542 -10.9325 HAL2 8199 0 0 0 0.09 8204 8202 C11 SLES 1 17.5828 -6.90667 -11.3681 CTL2 8199 8203 8204 8205 -0.18 8205 8203 H11 SLES 1 17.4944 -8.01714 -11.3802 HAL2 8202 0 0 0 0.09 8206 8204 H11 SLES 1 17.3985 -6.54015 -12.4037 HAL2 8202 0 0 0 0.09 8207 8205 C12 SLES 1 16.4903 -6.32858 -10.4316 CTL3 8202 8206 8207 8208 -0.27 8208 8206 H12 SLES 1 15.8901 -7.15121 -9.984 HAL3 8205 0 0 0 0.09 8209 8207 H12 SLES 1 15.807 -5.66067 -11.0011 HAL3 8205 0 0 0 0.09 8210 8208 H12 SLES 1 16.9557 -5.74186 -9.60987 HAL3 8205 0 0 0 0.09 8211 8209 NA SLES 1 28.7581 -23.8948 -23.5393 NA 0 0 0 0 1 8212 8210 S SLES 1 29.8814 -23.2146 -20.1296 SL 8211 8212 8213 8214 1.33 8213 8211 OS1 SLES 1 28.4643 -22.6186 -20.7961 OSL 8210 8215 0 0 -0.28 8214 8212 OS2 SLES 1 29.801 -24.6576 -20.2227 O2L 8210 0 0 0 -0.65 8215 8213 OS3 SLES 1 30.9569 -22.7264 -20.9671 O2L 8210 0 0 0 -0.65 8216 8214 OS4 SLES 1 30.1109 -22.8193 -18.7492 O2L 8210 0 0 0 -0.65 8217 8215 C2 SLES 1 27.6366 -21.961 -19.7459 CC32A 8211 8216 8217 8218 -0.11 8218 8216 H2A SLES 1 27.4387 -22.6701 -18.8944 HCA2 8215 0 0 0 0.09 8219 8217 H2B SLES 1 28.1997 -21.0691 -19.3539 HCA2 8215 0 0 0 0.09 8220 8218 C1 SLES 1 26.2478 -21.4851 -20.3867 CC32A 8215 8219 8220 8221 -0.01 8221 8219 H1B SLES 1 25.7287 -22.3534 -20.8541 HCA2 8218 0 0 0 0.09 8222 8220 H1A SLES 1 26.4356 -20.7145 -21.1702 HCA2 8218 0 0 0 0.09 8223 8221 O1 SLES 1 25.2019 -20.8907 -19.5319 OC30A 8218 8222 0 0 -0.34 8224 8222 C2 SLES 1 25.6243 -20.3992 -18.2425 CC32A 8221 8223 8224 8225 -0.01 8225 8223 H2A SLES 1 26.0139 -21.3204 -17.7667 HCA2 8222 0 0 0 0.09 8226 8224 H2B SLES 1 26.4827 -19.7412 -18.5062 HCA2 8222 0 0 0 0.09 8227 8225 C1 SLES 1 24.682 -19.6566 -17.2436 CC32A 8222 8226 8227 8228 -0.01 8228 8226 H1B SLES 1 24.2072 -20.3922 -16.5583 HCA2 8225 0 0 0 0.09 8229 8227 H1A SLES 1 25.2778 -18.9426 -16.6404 HCA2 8225 0 0 0 0.09 8230 8228 O1 SLES 1 23.4995 -18.9029 -17.6639 OC30A 8225 8229 0 0 -0.34 8231 8229 C1 SLES 1 23.1436 -17.766 -16.7952 CTL2 8228 8230 8231 8232 -0.18 8232 8230 H11 SLES 1 23.7623 -17.8465 -15.8831 HAL2 8229 0 0 0 0.09 8233 8231 H12 SLES 1 23.509 -16.9092 -17.3984 HAL2 8229 0 0 0 0.09 8234 8232 C2 SLES 1 21.6338 -17.5323 -16.3927 CTL2 8229 8233 8234 8235 -0.18 8235 8233 H21 SLES 1 21.0106 -18.3456 -16.8273 HAL2 8232 0 0 0 0.09 8236 8234 H22 SLES 1 21.2892 -16.568 -16.8264 HAL2 8232 0 0 0 0.09 8237 8235 C3 SLES 1 21.4191 -17.5007 -14.8017 CTL2 8232 8236 8237 8238 -0.18 8238 8236 H31 SLES 1 20.9684 -18.4656 -14.4787 HAL2 8235 0 0 0 0.09 8239 8237 H32 SLES 1 22.4054 -17.4034 -14.3058 HAL2 8235 0 0 0 0.09 8240 8238 C4 SLES 1 20.4847 -16.3122 -14.3258 CTL2 8235 8239 8240 8241 -0.18 8241 8239 H41 SLES 1 19.4735 -16.7148 -14.108 HAL2 8238 0 0 0 0.09 8242 8240 H42 SLES 1 20.3883 -15.5717 -15.1488 HAL2 8238 0 0 0 0.09 8243 8241 C5 SLES 1 21.0436 -15.5735 -13.027 CTL2 8238 8242 8243 8244 -0.18 8244 8242 H51 SLES 1 21.7887 -16.2314 -12.5275 HAL2 8241 0 0 0 0.09 8245 8243 H52 SLES 1 21.5654 -14.6395 -13.3373 HAL2 8241 0 0 0 0.09 8246 8244 C6 SLES 1 19.9121 -15.2089 -11.9936 CTL2 8241 8245 8246 8247 -0.18 8247 8245 H61 SLES 1 19.5556 -16.1416 -11.5017 HAL2 8244 0 0 0 0.09 8248 8246 H62 SLES 1 20.3413 -14.5476 -11.205 HAL2 8244 0 0 0 0.09 8249 8247 C7 SLES 1 18.6968 -14.4863 -12.6565 CTL2 8244 8248 8249 8250 -0.18 8250 8248 H71 SLES 1 18.0348 -15.247 -13.1265 HAL2 8247 0 0 0 0.09 8251 8249 H72 SLES 1 19.0684 -13.8112 -13.4592 HAL2 8247 0 0 0 0.09 8252 8250 C8 SLES 1 17.8698 -13.6573 -11.6424 CTL2 8247 8251 8252 8253 -0.18 8253 8251 H81 SLES 1 17.6897 -14.2718 -10.7306 HAL2 8250 0 0 0 0.09 8254 8252 H82 SLES 1 18.4566 -12.7595 -11.342 HAL2 8250 0 0 0 0.09 8255 8253 C9 SLES 1 16.5076 -13.201 -12.2224 CTL2 8250 8254 8255 8256 -0.18 8256 8254 H91 SLES 1 15.9337 -14.0976 -12.5498 HAL2 8253 0 0 0 0.09 8257 8255 H92 SLES 1 16.6893 -12.564 -13.1172 HAL2 8253 0 0 0 0.09 8258 8256 C10 SLES 1 15.6608 -12.406 -11.2005 CTL2 8253 8257 8258 8259 -0.18 8259 8257 H10 SLES 1 15.4591 -13.0511 -10.3152 HAL2 8256 0 0 0 0.09 8260 8258 H10 SLES 1 16.2428 -11.5213 -10.856 HAL2 8256 0 0 0 0.09 8261 8259 C11 SLES 1 14.3106 -11.9242 -11.7945 CTL2 8256 8260 8261 8262 -0.18 8262 8260 H11 SLES 1 13.7294 -12.813 -12.1312 HAL2 8259 0 0 0 0.09 8263 8261 H11 SLES 1 14.5169 -11.2944 -12.6898 HAL2 8259 0 0 0 0.09 8264 8262 C12 SLES 1 13.4452 -11.1092 -10.7988 CTL3 8259 8263 8264 8265 -0.27 8265 8263 H12 SLES 1 12.4623 -11.6065 -10.6441 HAL3 8262 0 0 0 0.09 8266 8264 H12 SLES 1 13.2658 -10.0842 -11.1919 HAL3 8262 0 0 0 0.09 8267 8265 H12 SLES 1 13.9591 -11.027 -9.81639 HAL3 8262 0 0 0 0.09 8268 8266 NA SLES 1 19.602 -31.3956 -24.1279 NA 0 0 0 0 1 8269 8267 S SLES 1 19.9984 -31.8704 -20.5268 SL 8268 8269 8270 8271 1.33 8270 8268 OS1 SLES 1 19.2337 -30.5557 -21.2298 OSL 8267 8272 0 0 -0.28 8271 8269 OS2 SLES 1 19.2945 -33.0482 -20.9904 O2L 8267 0 0 0 -0.65 8272 8270 OS3 SLES 1 21.3519 -31.8716 -21.0413 O2L 8267 0 0 0 -0.65 8273 8271 OS4 SLES 1 20.0218 -31.8475 -19.0731 O2L 8267 0 0 0 -0.65 8274 8272 C2 SLES 1 18.5606 -29.7317 -20.1867 CC32A 8268 8273 8274 8275 -0.11 8275 8273 H2A SLES 1 17.8503 -30.3607 -19.5809 HCA2 8272 0 0 0 0.09 8276 8274 H2B SLES 1 19.3476 -29.3092 -19.5024 HCA2 8272 0 0 0 0.09 8277 8275 C1 SLES 1 17.7584 -28.5374 -20.891 CC32A 8272 8276 8277 8278 -0.01 8278 8276 H1B SLES 1 17.0389 -28.9508 -21.6348 HCA2 8275 0 0 0 0.09 8279 8277 H1A SLES 1 18.4707 -27.8606 -21.418 HCA2 8275 0 0 0 0.09 8280 8278 O1 SLES 1 16.9204 -27.6297 -20.0837 OC30A 8275 8279 0 0 -0.34 8281 8279 C2 SLES 1 17.1753 -27.6081 -18.6634 CC32A 8278 8280 8281 8282 -0.01 8282 8280 H2A SLES 1 16.9647 -28.6581 -18.3807 HCA2 8279 0 0 0 0.09 8283 8281 H2B SLES 1 18.2747 -27.4384 -18.6198 HCA2 8279 0 0 0 0.09 8284 8282 C1 SLES 1 16.4563 -26.6466 -17.6654 CC32A 8279 8283 8284 8285 -0.01 8285 8283 H1B SLES 1 15.5406 -27.1355 -17.2673 HCA2 8282 0 0 0 0.09 8286 8284 H1A SLES 1 17.136 -26.4229 -16.8189 HCA2 8282 0 0 0 0.09 8287 8285 O1 SLES 1 15.9006 -25.3505 -18.0578 OC30A 8282 8286 0 0 -0.34 8288 8286 C1 SLES 1 15.8948 -24.3275 -16.996 CTL2 8285 8287 8288 8289 -0.18 8289 8287 H11 SLES 1 16.152 -24.8378 -16.0502 HAL2 8286 0 0 0 0.09 8290 8288 H12 SLES 1 16.7517 -23.6922 -17.3019 HAL2 8286 0 0 0 0.09 8291 8289 C2 SLES 1 14.6123 -23.4299 -16.7823 CTL2 8286 8290 8291 8292 -0.18 8292 8290 H21 SLES 1 13.8208 -23.749 -17.4967 HAL2 8289 0 0 0 0.09 8293 8291 H22 SLES 1 14.8701 -22.3718 -17.0071 HAL2 8289 0 0 0 0.09 8294 8292 C3 SLES 1 14.0371 -23.5253 -15.2861 CTL2 8289 8293 8294 8295 -0.18 8295 8293 H31 SLES 1 13.1298 -24.1695 -15.2882 HAL2 8292 0 0 0 0.09 8296 8294 H32 SLES 1 14.7952 -24.0079 -14.6376 HAL2 8292 0 0 0 0.09 8297 8295 C4 SLES 1 13.6624 -22.1117 -14.6748 CTL2 8292 8296 8297 8298 -0.18 8298 8296 H41 SLES 1 12.5612 -21.9802 -14.7215 HAL2 8295 0 0 0 0.09 8299 8297 H42 SLES 1 14.1289 -21.3126 -15.2903 HAL2 8295 0 0 0 0.09 8300 8298 C5 SLES 1 14.1441 -21.949 -13.1628 CTL2 8295 8299 8300 8301 -0.18 8301 8299 H51 SLES 1 14.3508 -22.9557 -12.7372 HAL2 8298 0 0 0 0.09 8302 8300 H52 SLES 1 15.0948 -21.3685 -13.1455 HAL2 8298 0 0 0 0.09 8303 8301 C6 SLES 1 13.0825 -21.2202 -12.2554 CTL2 8298 8302 8303 8304 -0.18 8304 8302 H61 SLES 1 12.2269 -21.9087 -12.0736 HAL2 8301 0 0 0 0.09 8305 8303 H62 SLES 1 13.5488 -20.9849 -11.2702 HAL2 8301 0 0 0 0.09 8306 8304 C7 SLES 1 12.5466 -19.8992 -12.8925 CTL2 8301 8305 8306 8307 -0.18 8307 8305 H71 SLES 1 11.7551 -20.1488 -13.6335 HAL2 8304 0 0 0 0.09 8308 8306 H72 SLES 1 13.3768 -19.3932 -13.4339 HAL2 8304 0 0 0 0.09 8309 8307 C8 SLES 1 11.9615 -18.9239 -11.8407 CTL2 8304 8308 8309 8310 -0.18 8310 8308 H81 SLES 1 11.2943 -19.4898 -11.1508 HAL2 8307 0 0 0 0.09 8311 8309 H82 SLES 1 12.7949 -18.4951 -11.2389 HAL2 8307 0 0 0 0.09 8312 8310 C9 SLES 1 11.1576 -17.7684 -12.4879 CTL2 8307 8311 8312 8313 -0.18 8313 8311 H91 SLES 1 10.3427 -18.1987 -13.1132 HAL2 8310 0 0 0 0.09 8314 8312 H92 SLES 1 11.8321 -17.1866 -13.1556 HAL2 8310 0 0 0 0.09 8315 8313 C10 SLES 1 10.5382 -16.8134 -11.4401 CTL2 8310 8314 8315 8316 -0.18 8316 8314 H10 SLES 1 9.84528 -17.3909 -10.7865 HAL2 8313 0 0 0 0.09 8317 8315 H10 SLES 1 11.3502 -16.3998 -10.8001 HAL2 8313 0 0 0 0.09 8318 8316 C11 SLES 1 9.75962 -15.6402 -12.0923 CTL2 8313 8317 8318 8319 -0.18 8319 8317 H11 SLES 1 8.94444 -16.0589 -12.7258 HAL2 8316 0 0 0 0.09 8320 8318 H11 SLES 1 10.452 -15.0767 -12.7587 HAL2 8316 0 0 0 0.09 8321 8319 C12 SLES 1 9.14015 -14.655 -11.0675 CTL3 8316 8320 8321 8322 -0.27 8322 8320 H12 SLES 1 8.03595 -14.6094 -11.194 HAL3 8319 0 0 0 0.09 8323 8321 H12 SLES 1 9.55607 -13.6336 -11.2132 HAL3 8319 0 0 0 0.09 8324 8322 H12 SLES 1 9.36455 -14.9842 -10.0296 HAL3 8319 0 0 0 0.09 8325 8323 NA SLES 1 8.66923 -35.7604 -24.4565 NA 0 0 0 0 1 8326 8324 S SLES 1 7.73903 -36.5463 -21.0115 SL 8325 8326 8327 8328 1.33 8327 8325 OS1 SLES 1 7.91749 -34.9927 -21.613 OSL 8324 8329 0 0 -0.28 8328 8326 OS2 SLES 1 6.73415 -37.1892 -21.8328 O2L 8324 0 0 0 -0.65 8329 8327 OS3 SLES 1 9.01793 -37.1995 -21.1971 O2L 8324 0 0 0 -0.65 8330 8328 OS4 SLES 1 7.3496 -36.6097 -19.612 O2L 8324 0 0 0 -0.65 8331 8329 C2 SLES 1 7.43909 -33.9948 -20.6152 CC32A 8325 8330 8331 8332 -0.11 8332 8330 H2A SLES 1 6.37671 -34.2128 -20.3135 HCA2 8329 0 0 0 0.09 8333 8331 H2B SLES 1 8.09662 -34.0572 -19.7041 HCA2 8329 0 0 0 0.09 8334 8332 C1 SLES 1 7.53033 -32.5264 -21.2486 CC32A 8329 8333 8334 8335 -0.01 8335 8333 H1B SLES 1 6.95061 -32.487 -22.1995 HCA2 8332 0 0 0 0.09 8336 8334 H1A SLES 1 8.594 -32.272 -21.4655 HCA2 8332 0 0 0 0.09 8337 8335 O1 SLES 1 7.02133 -31.3621 -20.4981 OC30A 8332 8336 0 0 -0.34 8338 8336 C2 SLES 1 6.83443 -31.5409 -19.0783 CC32A 8335 8337 8338 8339 -0.01 8339 8337 H2A SLES 1 6.08605 -32.357 -19.0505 HCA2 8336 0 0 0 0.09 8340 8338 H2B SLES 1 7.81975 -31.9466 -18.756 HCA2 8336 0 0 0 0.09 8341 8339 C1 SLES 1 6.39499 -30.3992 -18.1085 CC32A 8336 8340 8341 8342 -0.01 8342 8340 H1B SLES 1 5.2864 -30.383 -18.0259 HCA2 8339 0 0 0 0.09 8343 8341 H1A SLES 1 6.82318 -30.5876 -17.1036 HCA2 8339 0 0 0 0.09 8344 8342 O1 SLES 1 6.64976 -28.9814 -18.369 OC30A 8339 8343 0 0 -0.34 8345 8343 C1 SLES 1 6.81658 -28.1465 -17.1652 CTL2 8342 8344 8345 8346 -0.18 8346 8344 H11 SLES 1 6.51992 -28.7629 -16.2974 HAL2 8343 0 0 0 0.09 8347 8345 H12 SLES 1 7.91776 -28.0112 -17.1458 HAL2 8343 0 0 0 0.09 8348 8346 C2 SLES 1 6.10276 -26.7393 -17.0848 CTL2 8343 8347 8348 8349 -0.18 8349 8347 H21 SLES 1 5.49847 -26.5838 -18.0064 HAL2 8346 0 0 0 0.09 8350 8348 H22 SLES 1 6.87766 -25.9427 -17.045 HAL2 8346 0 0 0 0.09 8351 8349 C3 SLES 1 5.14569 -26.6074 -15.8022 CTL2 8346 8350 8351 8352 -0.18 8352 8350 H31 SLES 1 4.08703 -26.7101 -16.1292 HAL2 8349 0 0 0 0.09 8353 8351 H32 SLES 1 5.36636 -27.436 -15.1 HAL2 8349 0 0 0 0.09 8354 8352 C4 SLES 1 5.31682 -25.2282 -15.0403 CTL2 8349 8353 8354 8355 -0.18 8355 8353 H41 SLES 1 4.47161 -24.561 -15.3099 HAL2 8352 0 0 0 0.09 8356 8354 H42 SLES 1 6.25784 -24.7407 -15.3748 HAL2 8352 0 0 0 0.09 8357 8355 C5 SLES 1 5.35896 -25.403 -13.4552 CTL2 8352 8356 8357 8358 -0.18 8358 8356 H51 SLES 1 4.93819 -26.3975 -13.1883 HAL2 8355 0 0 0 0.09 8359 8357 H52 SLES 1 6.41962 -25.3779 -13.1156 HAL2 8355 0 0 0 0.09 8360 8358 C6 SLES 1 4.55058 -24.2864 -12.6929 CTL2 8355 8359 8360 8361 -0.18 8361 8359 H61 SLES 1 3.46139 -24.4622 -12.8406 HAL2 8358 0 0 0 0.09 8362 8360 H62 SLES 1 4.76582 -24.3649 -11.6015 HAL2 8358 0 0 0 0.09 8363 8361 C7 SLES 1 4.90416 -22.845 -13.1782 CTL2 8358 8362 8363 8364 -0.18 8364 8362 H71 SLES 1 4.34009 -22.6282 -14.1123 HAL2 8361 0 0 0 0.09 8365 8363 H72 SLES 1 5.99064 -22.7966 -13.4139 HAL2 8361 0 0 0 0.09 8366 8364 C8 SLES 1 4.56755 -21.761 -12.1241 CTL2 8361 8365 8366 8367 -0.18 8367 8365 H81 SLES 1 3.54638 -21.9501 -11.7205 HAL2 8364 0 0 0 0.09 8368 8366 H82 SLES 1 5.29058 -21.837 -11.2803 HAL2 8364 0 0 0 0.09 8369 8367 C9 SLES 1 4.62268 -20.328 -12.7105 CTL2 8364 8368 8369 8370 -0.18 8370 8368 H91 SLES 1 3.92115 -20.2614 -13.5729 HAL2 8367 0 0 0 0.09 8371 8369 H92 SLES 1 5.65105 -20.1299 -13.0883 HAL2 8367 0 0 0 0.09 8372 8370 C10 SLES 1 4.24904 -19.2441 -11.6718 CTL2 8367 8371 8372 8373 -0.18 8373 8371 H10 SLES 1 3.21148 -19.4286 -11.3109 HAL2 8370 0 0 0 0.09 8374 8372 H10 SLES 1 4.93613 -19.3245 -10.7991 HAL2 8370 0 0 0 0.09 8375 8373 C11 SLES 1 4.33514 -17.8083 -12.254 CTL2 8370 8374 8375 8376 -0.18 8376 8374 H11 SLES 1 3.64118 -17.731 -13.1221 HAL2 8373 0 0 0 0.09 8377 8375 H11 SLES 1 5.36941 -17.635 -12.6298 HAL2 8373 0 0 0 0.09 8378 8376 C12 SLES 1 3.9822 -16.6971 -11.2316 CTL3 8373 8377 8378 8379 -0.27 8379 8377 H12 SLES 1 3.11739 -16.0988 -11.5942 HAL3 8376 0 0 0 0.09 8380 8378 H12 SLES 1 4.84917 -16.0153 -11.0871 HAL3 8376 0 0 0 0.09 8381 8379 H12 SLES 1 3.71618 -17.1451 -10.2494 HAL3 8376 0 0 0 0.09 8382 8380 NA SLES 1 -3.17412 -36.6026 -24.541 NA 0 0 0 0 1 8383 8381 S SLES 1 -5.31386 -36.6483 -21.5796 SL 8382 8383 8384 8385 1.33 8384 8382 OS1 SLES 1 -4.23937 -35.4179 -21.9522 OSL 8381 8386 0 0 -0.28 8385 8383 OS2 SLES 1 -6.21958 -36.7542 -22.7047 O2L 8381 0 0 0 -0.65 8386 8384 OS3 SLES 1 -4.5217 -37.8554 -21.47 O2L 8381 0 0 0 -0.65 8387 8385 OS4 SLES 1 -6.06844 -36.4389 -20.3543 O2L 8381 0 0 0 -0.65 8388 8386 C2 SLES 1 -4.43669 -34.2636 -21.0308 CC32A 8382 8387 8388 8389 -0.11 8389 8387 H2A SLES 1 -5.50638 -33.9139 -21.0558 HCA2 8386 0 0 0 0.09 8390 8388 H2B SLES 1 -4.18597 -34.5945 -19.9849 HCA2 8386 0 0 0 0.09 8391 8389 C1 SLES 1 -3.46639 -33.0659 -21.4664 CC32A 8386 8390 8391 8392 -0.01 8392 8390 H1B SLES 1 -3.65261 -32.7953 -22.5313 HCA2 8389 0 0 0 0.09 8393 8391 H1A SLES 1 -2.40234 -33.3802 -21.3564 HCA2 8389 0 0 0 0.09 8394 8392 O1 SLES 1 -3.53712 -31.7648 -20.7735 OC30A 8389 8393 0 0 -0.34 8395 8393 C2 SLES 1 -4.18632 -31.7544 -19.4847 CC32A 8392 8394 8395 8396 -0.01 8396 8394 H2A SLES 1 -5.20841 -32.0931 -19.7444 HCA2 8393 0 0 0 0.09 8397 8395 H2B SLES 1 -3.66241 -32.5756 -18.9457 HCA2 8393 0 0 0 0.09 8398 8396 C1 SLES 1 -4.27359 -30.4958 -18.5651 CC32A 8393 8397 8398 8399 -0.01 8399 8397 H1B SLES 1 -5.20477 -29.9313 -18.7892 HCA2 8396 0 0 0 0.09 8400 8398 H1A SLES 1 -4.30037 -30.8184 -17.5049 HCA2 8396 0 0 0 0.09 8401 8399 O1 SLES 1 -3.30005 -29.4034 -18.6041 OC30A 8396 8400 0 0 -0.34 8402 8400 C1 SLES 1 -3.10297 -28.6979 -17.3245 CTL2 8399 8401 8402 8403 -0.18 8403 8401 H11 SLES 1 -3.89662 -29.0422 -16.6369 HAL2 8400 0 0 0 0.09 8404 8402 H12 SLES 1 -2.13373 -29.122 -16.9899 HAL2 8400 0 0 0 0.09 8405 8403 C2 SLES 1 -3.03228 -27.1197 -17.3047 CTL2 8400 8404 8405 8406 -0.18 8406 8404 H21 SLES 1 -3.19082 -26.7347 -18.3369 HAL2 8403 0 0 0 0.09 8407 8405 H22 SLES 1 -2.01718 -26.8075 -16.975 HAL2 8403 0 0 0 0.09 8408 8406 C3 SLES 1 -4.12713 -26.4671 -16.328 CTL2 8403 8407 8408 8409 -0.18 8409 8407 H31 SLES 1 -4.95704 -26.0516 -16.9419 HAL2 8406 0 0 0 0.09 8410 8408 H32 SLES 1 -4.54901 -27.2591 -15.6777 HAL2 8406 0 0 0 0.09 8411 8409 C4 SLES 1 -3.53521 -25.3138 -15.416 CTL2 8406 8410 8411 8412 -0.18 8412 8410 H41 SLES 1 -3.83166 -24.3318 -15.8403 HAL2 8409 0 0 0 0.09 8413 8411 H42 SLES 1 -2.42546 -25.3714 -15.4291 HAL2 8409 0 0 0 0.09 8414 8412 C5 SLES 1 -4.04088 -25.4042 -13.9057 CTL2 8409 8413 8414 8415 -0.18 8415 8413 H51 SLES 1 -4.94786 -26.047 -13.8644 HAL2 8412 0 0 0 0.09 8416 8414 H52 SLES 1 -3.25057 -25.8874 -13.287 HAL2 8412 0 0 0 0.09 8417 8415 C6 SLES 1 -4.38535 -23.9965 -13.2885 CTL2 8412 8416 8417 8418 -0.18 8418 8416 H61 SLES 1 -5.32754 -23.6202 -13.7465 HAL2 8415 0 0 0 0.09 8419 8417 H62 SLES 1 -4.5594 -24.1141 -12.1933 HAL2 8415 0 0 0 0.09 8420 8418 C7 SLES 1 -3.25411 -22.9438 -13.5131 CTL2 8415 8419 8420 8421 -0.18 8421 8419 H71 SLES 1 -3.34608 -22.5259 -14.5401 HAL2 8418 0 0 0 0.09 8422 8420 H72 SLES 1 -2.26583 -23.4493 -13.4351 HAL2 8418 0 0 0 0.09 8423 8421 C8 SLES 1 -3.30874 -21.7817 -12.4903 CTL2 8418 8422 8423 8424 -0.18 8424 8422 H81 SLES 1 -4.35966 -21.4218 -12.4037 HAL2 8421 0 0 0 0.09 8425 8423 H82 SLES 1 -2.99125 -22.1602 -11.4921 HAL2 8421 0 0 0 0.09 8426 8424 C9 SLES 1 -2.39898 -20.5945 -12.8944 CTL2 8421 8425 8426 8427 -0.18 8427 8425 H91 SLES 1 -2.69795 -20.2356 -13.9055 HAL2 8424 0 0 0 0.09 8428 8426 H92 SLES 1 -1.34514 -20.9487 -12.9535 HAL2 8424 0 0 0 0.09 8429 8427 C10 SLES 1 -2.47982 -19.415 -11.8966 CTL2 8424 8428 8429 8430 -0.18 8430 8428 H10 SLES 1 -3.52974 -19.0453 -11.8548 HAL2 8427 0 0 0 0.09 8431 8429 H10 SLES 1 -2.20237 -19.7781 -10.8811 HAL2 8427 0 0 0 0.09 8432 8430 C11 SLES 1 -1.54431 -18.2404 -12.2879 CTL2 8427 8431 8432 8433 -0.18 8433 8431 H11 SLES 1 -1.83023 -17.8764 -13.3012 HAL2 8430 0 0 0 0.09 8434 8432 H11 SLES 1 -0.498253 -18.619 -12.3459 HAL2 8430 0 0 0 0.09 8435 8433 C12 SLES 1 -1.5901 -17.0483 -11.2973 CTL3 8430 8434 8435 8436 -0.27 8436 8434 H12 SLES 1 -1.90944 -16.1213 -11.8227 HAL3 8433 0 0 0 0.09 8437 8435 H12 SLES 1 -0.584823 -16.8757 -10.8534 HAL3 8433 0 0 0 0.09 8438 8436 H12 SLES 1 -2.30952 -17.2554 -10.4753 HAL3 8433 0 0 0 0.09 8439 8437 NA SLES 1 -14.9349 -33.6509 -24.4264 NA 0 0 0 0 1 8440 8438 S SLES 1 -17.4697 -32.2217 -22.2167 SL 8439 8440 8441 8442 1.33 8441 8439 OS1 SLES 1 -15.8673 -31.734 -22.2593 OSL 8438 8443 0 0 -0.28 8442 8440 OS2 SLES 1 -17.9876 -32.0402 -23.5569 O2L 8438 0 0 0 -0.65 8443 8441 OS3 SLES 1 -17.4532 -33.6304 -21.882 O2L 8438 0 0 0 -0.65 8444 8442 OS4 SLES 1 -18.2952 -31.4966 -21.2642 O2L 8438 0 0 0 -0.65 8445 8443 C2 SLES 1 -15.679 -30.5074 -21.4346 CC32A 8439 8444 8445 8446 -0.11 8446 8444 H2A SLES 1 -16.379 -29.6921 -21.7699 HCA2 8443 0 0 0 0.09 8447 8445 H2B SLES 1 -15.9025 -30.7609 -20.3612 HCA2 8443 0 0 0 0.09 8448 8446 C1 SLES 1 -14.1632 -30.0067 -21.5679 CC32A 8443 8447 8448 8449 -0.01 8449 8447 H1B SLES 1 -13.9123 -29.8393 -22.6406 HCA2 8446 0 0 0 0.09 8450 8448 H1A SLES 1 -13.4714 -30.7764 -21.1529 HCA2 8446 0 0 0 0.09 8451 8449 O1 SLES 1 -13.7388 -28.7482 -20.9247 OC30A 8446 8450 0 0 -0.34 8452 8450 C2 SLES 1 -14.5938 -28.2364 -19.8808 CC32A 8449 8451 8452 8453 -0.01 8453 8451 H2A SLES 1 -15.5432 -28.0726 -20.4273 HCA2 8450 0 0 0 0.09 8454 8452 H2B SLES 1 -14.7119 -29.1194 -19.2132 HCA2 8450 0 0 0 0.09 8455 8453 C1 SLES 1 -14.2615 -26.9732 -19.0257 CC32A 8450 8454 8455 8456 -0.01 8456 8454 H1B SLES 1 -14.6885 -26.0687 -19.511 HCA2 8453 0 0 0 0.09 8457 8455 H1A SLES 1 -14.7134 -27.0832 -18.0196 HCA2 8453 0 0 0 0.09 8458 8456 O1 SLES 1 -12.8961 -26.5068 -18.7787 OC30A 8453 8457 0 0 -0.34 8459 8457 C1 SLES 1 -12.6991 -25.8057 -17.4967 CTL2 8456 8458 8459 8460 -0.18 8460 8458 H11 SLES 1 -13.7012 -25.6183 -17.0703 HAL2 8457 0 0 0 0.09 8461 8459 H12 SLES 1 -12.1975 -26.5912 -16.8945 HAL2 8457 0 0 0 0.09 8462 8460 C2 SLES 1 -11.8484 -24.475 -17.4561 CTL2 8457 8461 8462 8463 -0.18 8463 8461 H21 SLES 1 -11.5249 -24.2174 -18.4894 HAL2 8460 0 0 0 0.09 8464 8462 H22 SLES 1 -10.9357 -24.648 -16.8448 HAL2 8460 0 0 0 0.09 8465 8463 C3 SLES 1 -12.6683 -23.2393 -16.8402 CTL2 8460 8464 8465 8466 -0.18 8466 8464 H31 SLES 1 -12.9889 -22.5695 -17.669 HAL2 8463 0 0 0 0.09 8467 8465 H32 SLES 1 -13.5804 -23.6235 -16.3415 HAL2 8463 0 0 0 0.09 8468 8466 C4 SLES 1 -11.8266 -22.3965 -15.7946 CTL2 8463 8467 8468 8469 -0.18 8469 8467 H41 SLES 1 -11.4684 -21.4679 -16.2862 HAL2 8466 0 0 0 0.09 8470 8468 H42 SLES 1 -10.9363 -22.9846 -15.4839 HAL2 8466 0 0 0 0.09 8471 8469 C5 SLES 1 -12.6698 -22.0086 -14.4971 CTL2 8466 8470 8471 8472 -0.18 8472 8470 H51 SLES 1 -13.7537 -22.1188 -14.7222 HAL2 8469 0 0 0 0.09 8473 8471 H52 SLES 1 -12.4173 -22.717 -13.6753 HAL2 8469 0 0 0 0.09 8474 8472 C6 SLES 1 -12.3984 -20.5367 -14.006 CTL2 8469 8473 8474 8475 -0.18 8475 8473 H61 SLES 1 -12.8707 -19.8236 -14.7184 HAL2 8472 0 0 0 0.09 8476 8474 H62 SLES 1 -12.8771 -20.3935 -13.0092 HAL2 8472 0 0 0 0.09 8477 8475 C7 SLES 1 -10.8762 -20.2081 -13.8907 CTL2 8472 8476 8477 8478 -0.18 8478 8476 H71 SLES 1 -10.4825 -19.9536 -14.8996 HAL2 8475 0 0 0 0.09 8479 8477 H72 SLES 1 -10.3354 -21.1108 -13.5285 HAL2 8475 0 0 0 0.09 8480 8478 C8 SLES 1 -10.5916 -19.0289 -12.9274 CTL2 8475 8479 8480 8481 -0.18 8481 8479 H81 SLES 1 -11.2991 -18.1975 -13.1504 HAL2 8478 0 0 0 0.09 8482 8480 H82 SLES 1 -10.772 -19.3627 -11.8802 HAL2 8478 0 0 0 0.09 8483 8481 C9 SLES 1 -9.13914 -18.5034 -13.0481 CTL2 8478 8482 8483 8484 -0.18 8484 8482 H91 SLES 1 -8.95016 -18.1974 -14.1022 HAL2 8481 0 0 0 0.09 8485 8483 H92 SLES 1 -8.43329 -19.3272 -12.7979 HAL2 8481 0 0 0 0.09 8486 8484 C10 SLES 1 -8.86116 -17.3002 -12.1163 CTL2 8481 8485 8486 8487 -0.18 8487 8485 H10 SLES 1 -9.55157 -16.4674 -12.3819 HAL2 8484 0 0 0 0.09 8488 8486 H10 SLES 1 -9.07119 -17.5988 -11.0643 HAL2 8484 0 0 0 0.09 8489 8487 C11 SLES 1 -7.39702 -16.7962 -12.2173 CTL2 8484 8488 8489 8490 -0.18 8490 8488 H11 SLES 1 -7.19404 -16.4923 -13.2697 HAL2 8487 0 0 0 0.09 8491 8489 H11 SLES 1 -6.71019 -17.6371 -11.9684 HAL2 8487 0 0 0 0.09 8492 8490 C12 SLES 1 -7.08187 -15.6 -11.2822 CTL3 8487 8491 8492 8493 -0.27 8493 8491 H12 SLES 1 -6.74491 -14.7226 -11.8772 HAL3 8490 0 0 0 0.09 8494 8492 H12 SLES 1 -6.27659 -15.872 -10.5647 HAL3 8490 0 0 0 0.09 8495 8493 H12 SLES 1 -7.98727 -15.3104 -10.7056 HAL3 8490 0 0 0 0.09 8496 8494 NA SLES 1 -25.4167 -26.8574 -24.1817 NA 0 0 0 0 1 8497 8495 S SLES 1 -27.1972 -23.9354 -22.9002 SL 8496 8497 8498 8499 1.33 8498 8496 OS1 SLES 1 -25.5996 -24.2992 -22.5501 OSL 8495 8500 0 0 -0.28 8499 8497 OS2 SLES 1 -27.286 -23.8326 -24.3421 O2L 8495 0 0 0 -0.65 8500 8498 OS3 SLES 1 -27.9779 -25.064 -22.4382 O2L 8495 0 0 0 -0.65 8501 8499 OS4 SLES 1 -27.6852 -22.7114 -22.2854 O2L 8495 0 0 0 -0.65 8502 8500 C2 SLES 1 -24.9578 -23.1642 -21.8288 CC32A 8496 8501 8502 8503 -0.11 8503 8501 H2A SLES 1 -25.0554 -22.2117 -22.4206 HCA2 8500 0 0 0 0.09 8504 8502 H2B SLES 1 -25.4751 -23.0323 -20.8382 HCA2 8500 0 0 0 0.09 8505 8503 C1 SLES 1 -23.409 -23.4958 -21.5903 CC32A 8500 8504 8505 8506 -0.01 8506 8504 H1B SLES 1 -22.9136 -23.7138 -22.5645 HCA2 8503 0 0 0 0.09 8507 8505 H1A SLES 1 -23.3092 -24.3879 -20.929 HCA2 8503 0 0 0 0.09 8508 8506 O1 SLES 1 -22.52 -22.4874 -20.9813 OC30A 8503 8507 0 0 -0.34 8509 8507 C2 SLES 1 -23.1605 -21.4099 -20.2664 CC32A 8506 8508 8509 8510 -0.01 8510 8508 H2A SLES 1 -23.7657 -20.9379 -21.065 HCA2 8507 0 0 0 0.09 8511 8509 H2B SLES 1 -23.8419 -21.9534 -19.5738 HCA2 8507 0 0 0 0.09 8512 8510 C1 SLES 1 -22.3854 -20.3061 -19.4802 CC32A 8507 8511 8512 8513 -0.01 8513 8511 H1B SLES 1 -22.1811 -19.4422 -20.1495 HCA2 8510 0 0 0 0.09 8514 8512 H1A SLES 1 -23.006 -19.9579 -18.6304 HCA2 8510 0 0 0 0.09 8515 8513 O1 SLES 1 -21.0502 -20.5097 -18.9157 OC30A 8510 8514 0 0 -0.34 8516 8514 C1 SLES 1 -20.7593 -19.7226 -17.7033 CTL2 8513 8515 8516 8517 -0.18 8517 8515 H11 SLES 1 -21.5766 -18.9878 -17.5879 HAL2 8514 0 0 0 0.09 8518 8516 H12 SLES 1 -20.8612 -20.4951 -16.9133 HAL2 8514 0 0 0 0.09 8519 8517 C2 SLES 1 -19.3656 -18.992 -17.5613 CTL2 8514 8518 8519 8520 -0.18 8520 8518 H21 SLES 1 -18.7703 -19.1594 -18.4867 HAL2 8517 0 0 0 0.09 8521 8519 H22 SLES 1 -18.808 -19.4397 -16.7097 HAL2 8517 0 0 0 0.09 8522 8520 C3 SLES 1 -19.5211 -17.4126 -17.3168 CTL2 8517 8521 8522 8523 -0.18 8523 8521 H31 SLES 1 -19.2865 -16.8757 -18.2628 HAL2 8520 0 0 0 0.09 8524 8522 H32 SLES 1 -20.5739 -17.1899 -17.0517 HAL2 8520 0 0 0 0.09 8525 8523 C4 SLES 1 -18.5751 -16.8672 -16.168 CTL2 8520 8524 8525 8526 -0.18 8526 8524 H41 SLES 1 -17.7024 -16.3608 -16.6308 HAL2 8523 0 0 0 0.09 8527 8525 H42 SLES 1 -18.1962 -17.7237 -15.5698 HAL2 8523 0 0 0 0.09 8528 8526 C5 SLES 1 -19.3173 -15.8438 -15.195 CTL2 8523 8527 8528 8529 -0.18 8529 8527 H51 SLES 1 -20.2365 -15.4679 -15.6963 HAL2 8526 0 0 0 0.09 8530 8528 H52 SLES 1 -19.6275 -16.3823 -14.2706 HAL2 8526 0 0 0 0.09 8531 8529 C6 SLES 1 -18.4168 -14.615 -14.7942 CTL2 8526 8530 8531 8532 -0.18 8532 8530 H61 SLES 1 -18.3077 -13.9426 -15.6746 HAL2 8529 0 0 0 0.09 8533 8531 H62 SLES 1 -18.9265 -14.0412 -13.9853 HAL2 8529 0 0 0 0.09 8534 8532 C7 SLES 1 -16.9981 -15.0401 -14.2993 CTL2 8529 8533 8534 8535 -0.18 8535 8533 H71 SLES 1 -16.3503 -15.2384 -15.1818 HAL2 8532 0 0 0 0.09 8536 8534 H72 SLES 1 -17.0836 -15.9845 -13.7169 HAL2 8532 0 0 0 0.09 8537 8535 C8 SLES 1 -16.3264 -13.9605 -13.4145 CTL2 8532 8536 8537 8538 -0.18 8538 8536 H81 SLES 1 -16.4428 -12.9656 -13.9026 HAL2 8535 0 0 0 0.09 8539 8537 H82 SLES 1 -16.8447 -13.9232 -12.4294 HAL2 8535 0 0 0 0.09 8540 8538 C9 SLES 1 -14.8197 -14.2379 -13.1838 CTL2 8535 8539 8540 8541 -0.18 8541 8539 H91 SLES 1 -14.3075 -14.3044 -14.1705 HAL2 8538 0 0 0 0.09 8542 8540 H92 SLES 1 -14.7059 -15.2195 -12.671 HAL2 8538 0 0 0 0.09 8543 8541 C10 SLES 1 -14.1352 -13.1417 -12.3333 CTL2 8538 8542 8543 8544 -0.18 8544 8542 H10 SLES 1 -14.2287 -12.1634 -12.8576 HAL2 8541 0 0 0 0.09 8545 8543 H10 SLES 1 -14.6608 -13.0593 -11.355 HAL2 8541 0 0 0 0.09 8546 8544 C11 SLES 1 -12.6336 -13.4385 -12.0784 CTL2 8541 8545 8546 8547 -0.18 8547 8545 H11 SLES 1 -12.1111 -13.5132 -13.0595 HAL2 8544 0 0 0 0.09 8548 8546 H11 SLES 1 -12.5443 -14.4258 -11.5703 HAL2 8544 0 0 0 0.09 8549 8547 C12 SLES 1 -11.9224 -12.3655 -11.2139 CTL3 8544 8548 8549 8550 -0.27 8550 8548 H12 SLES 1 -11.0749 -11.9154 -11.7765 HAL3 8547 0 0 0 0.09 8551 8549 H12 SLES 1 -11.5255 -12.822 -10.2804 HAL3 8547 0 0 0 0.09 8552 8550 H12 SLES 1 -12.6338 -11.5568 -10.9381 HAL3 8547 0 0 0 0.09 8553 8551 NA SLES 1 -33.256 -16.5917 -23.8922 NA 0 0 0 0 1 8554 8552 S SLES 1 -33.3506 -12.9507 -23.6015 SL 8553 8554 8555 8556 1.33 8555 8553 OS1 SLES 1 -32.2248 -13.9321 -22.8419 OSL 8552 8557 0 0 -0.28 8556 8554 OS2 SLES 1 -33.2322 -13.2159 -25.0204 O2L 8552 0 0 0 -0.65 8557 8555 OS3 SLES 1 -34.6481 -13.3836 -23.1264 O2L 8552 0 0 0 -0.65 8558 8556 OS4 SLES 1 -33.1798 -11.5292 -23.3474 O2L 8552 0 0 0 -0.65 8559 8557 C2 SLES 1 -31.1559 -13.1033 -22.2168 CC32A 8553 8558 8559 8560 -0.11 8560 8558 H2A SLES 1 -30.6808 -12.4261 -22.9803 HCA2 8557 0 0 0 0.09 8561 8559 H2B SLES 1 -31.6198 -12.4724 -21.4087 HCA2 8557 0 0 0 0.09 8562 8560 C1 SLES 1 -30.0436 -14.0647 -21.581 CC32A 8557 8561 8562 8563 -0.01 8563 8561 H1B SLES 1 -29.6451 -14.7521 -22.3624 HCA2 8560 0 0 0 0.09 8564 8562 H1A SLES 1 -30.4918 -14.6737 -20.7615 HCA2 8560 0 0 0 0.09 8565 8563 O1 SLES 1 -28.8213 -13.4918 -20.9846 OC30A 8560 8564 0 0 -0.34 8566 8564 C2 SLES 1 -28.8661 -12.0907 -20.6419 CC32A 8563 8565 8566 8567 -0.01 8567 8565 H2A SLES 1 -29.0525 -11.6231 -21.6285 HCA2 8564 0 0 0 0.09 8568 8566 H2B SLES 1 -29.7946 -12.0227 -20.0315 HCA2 8564 0 0 0 0.09 8569 8567 C1 SLES 1 -27.707 -11.3348 -19.919 CC32A 8564 8568 8569 8570 -0.01 8570 8568 H1B SLES 1 -27.0158 -10.8989 -20.6728 HCA2 8567 0 0 0 0.09 8571 8569 H1A SLES 1 -28.1311 -10.5126 -19.3085 HCA2 8567 0 0 0 0.09 8572 8570 O1 SLES 1 -26.7397 -11.9973 -19.0425 OC30A 8567 8571 0 0 -0.34 8573 8571 C1 SLES 1 -26.1976 -11.1534 -17.9618 CTL2 8570 8572 8573 8574 -0.18 8574 8572 H11 SLES 1 -26.5138 -10.1151 -18.1693 HAL2 8571 0 0 0 0.09 8575 8573 H12 SLES 1 -26.7659 -11.5301 -17.0863 HAL2 8571 0 0 0 0.09 8576 8574 C2 SLES 1 -24.6493 -11.1834 -17.6483 CTL2 8571 8575 8576 8577 -0.18 8577 8575 H21 SLES 1 -24.1444 -11.8639 -18.37 HAL2 8574 0 0 0 0.09 8578 8576 H22 SLES 1 -24.4954 -11.5933 -16.6262 HAL2 8574 0 0 0 0.09 8579 8577 C3 SLES 1 -23.9749 -9.72905 -17.7396 CTL2 8574 8578 8579 8580 -0.18 8580 8578 H31 SLES 1 -23.403 -9.65506 -18.6913 HAL2 8577 0 0 0 0.09 8581 8579 H32 SLES 1 -24.7736 -8.96115 -17.7625 HAL2 8577 0 0 0 0.09 8582 8580 C4 SLES 1 -22.9997 -9.42095 -16.5287 CTL2 8577 8581 8582 8583 -0.18 8583 8581 H41 SLES 1 -21.9512 -9.54973 -16.8696 HAL2 8580 0 0 0 0.09 8584 8582 H42 SLES 1 -23.1871 -10.153 -15.7138 HAL2 8580 0 0 0 0.09 8585 8583 C5 SLES 1 -23.1838 -7.94512 -15.9518 CTL2 8580 8584 8585 8586 -0.18 8586 8584 H51 SLES 1 -23.715 -7.32395 -16.7063 HAL2 8583 0 0 0 0.09 8587 8585 H52 SLES 1 -23.8183 -7.98972 -15.0373 HAL2 8583 0 0 0 0.09 8588 8586 C6 SLES 1 -21.8158 -7.25147 -15.5927 CTL2 8583 8587 8588 8589 -0.18 8589 8587 H61 SLES 1 -21.2853 -6.98603 -16.5346 HAL2 8586 0 0 0 0.09 8590 8588 H62 SLES 1 -22.0236 -6.30666 -15.038 HAL2 8586 0 0 0 0.09 8591 8589 C7 SLES 1 -20.8875 -8.15745 -14.7233 CTL2 8586 8590 8591 8592 -0.18 8592 8590 H71 SLES 1 -20.3587 -8.87726 -15.3866 HAL2 8589 0 0 0 0.09 8593 8591 H72 SLES 1 -21.5122 -8.74154 -14.0113 HAL2 8589 0 0 0 0.09 8594 8592 C8 SLES 1 -19.8382 -7.34458 -13.9248 CTL2 8589 8593 8594 8595 -0.18 8595 8593 H81 SLES 1 -19.3669 -6.59483 -14.6009 HAL2 8592 0 0 0 0.09 8596 8594 H82 SLES 1 -20.3521 -6.79331 -13.1047 HAL2 8592 0 0 0 0.09 8597 8595 C9 SLES 1 -18.7324 -8.24269 -13.3158 CTL2 8592 8596 8597 8598 -0.18 8598 8596 H91 SLES 1 -18.2388 -8.81574 -14.1333 HAL2 8595 0 0 0 0.09 8599 8597 H92 SLES 1 -19.2013 -8.97341 -12.6189 HAL2 8595 0 0 0 0.09 8600 8598 C10 SLES 1 -17.6602 -7.43167 -12.5502 CTL2 8595 8599 8600 8601 -0.18 8601 8599 H10 SLES 1 -17.1746 -6.71664 -13.2529 HAL2 8598 0 0 0 0.09 8602 8600 H10 SLES 1 -18.1559 -6.84125 -11.7466 HAL2 8598 0 0 0 0.09 8603 8601 C11 SLES 1 -16.5712 -8.33683 -11.9156 CTL2 8598 8602 8603 8604 -0.18 8604 8602 H11 SLES 1 -16.0738 -8.9201 -12.724 HAL2 8601 0 0 0 0.09 8605 8603 H11 SLES 1 -17.0634 -9.06168 -11.2277 HAL2 8601 0 0 0 0.09 8606 8604 C12 SLES 1 -15.4899 -7.55412 -11.1265 CTL3 8601 8605 8606 8607 -0.27 8607 8605 H12 SLES 1 -14.4826 -7.74478 -11.5581 HAL3 8604 0 0 0 0.09 8608 8606 H12 SLES 1 -15.4845 -7.87105 -10.0602 HAL3 8604 0 0 0 0.09 8609 8607 H12 SLES 1 -15.6933 -6.46195 -11.1704 HAL3 8604 0 0 0 0.09 8610 8608 NA SLES 1 -37.1244 -3.81917 -23.649 NA 0 0 0 0 1 8611 8609 S SLES 1 -35.3063 -0.715161 -24.2893 SL 8610 8611 8612 8613 1.33 8612 8610 OS1 SLES 1 -34.854 -1.85994 -23.1525 OSL 8609 8614 0 0 -0.28 8613 8611 OS2 SLES 1 -35.3491 -1.40062 -25.5643 O2L 8609 0 0 0 -0.65 8614 8612 OS3 SLES 1 -36.6373 -0.282733 -23.9179 O2L 8609 0 0 0 -0.65 8615 8613 OS4 SLES 1 -34.4186 0.433438 -24.374 O2L 8609 0 0 0 -0.65 8616 8614 C2 SLES 1 -33.5073 -1.53718 -22.6025 CC32A 8610 8615 8616 8617 -0.11 8617 8615 H2A SLES 1 -32.752 -1.44229 -23.4317 HCA2 8614 0 0 0 0.09 8618 8616 H2B SLES 1 -33.5711 -0.556769 -22.0538 HCA2 8614 0 0 0 0.09 8619 8617 C1 SLES 1 -33.0566 -2.69469 -21.5911 CC32A 8614 8618 8619 8620 -0.01 8620 8618 H1B SLES 1 -33.0779 -3.68075 -22.1097 HCA2 8617 0 0 0 0.09 8621 8619 H1A SLES 1 -33.7532 -2.73116 -20.7213 HCA2 8617 0 0 0 0.09 8622 8620 O1 SLES 1 -31.7125 -2.66577 -20.9825 OC30A 8617 8621 0 0 -0.34 8623 8621 C2 SLES 1 -31.019 -1.40045 -21.009 CC32A 8620 8622 8623 8624 -0.01 8624 8622 H2A SLES 1 -30.9384 -1.21038 -22.0973 HCA2 8621 0 0 0 0.09 8625 8623 H2B SLES 1 -31.7736 -0.704474 -20.5783 HCA2 8621 0 0 0 0.09 8626 8624 C1 SLES 1 -29.633 -1.15408 -20.3341 CC32A 8621 8625 8626 8627 -0.01 8627 8625 H1B SLES 1 -28.819 -1.36138 -21.0623 HCA2 8624 0 0 0 0.09 8628 8626 H1A SLES 1 -29.5639 -0.0944024 -20.0164 HCA2 8624 0 0 0 0.09 8629 8627 O1 SLES 1 -29.1493 -1.92547 -19.1879 OC30A 8624 8628 0 0 -0.34 8630 8628 C1 SLES 1 -28.2425 -1.19539 -18.283 CTL2 8627 8629 8630 8631 -0.18 8631 8629 H11 SLES 1 -27.972 -0.24945 -18.7862 HAL2 8628 0 0 0 0.09 8632 8630 H12 SLES 1 -28.9203 -0.966048 -17.435 HAL2 8628 0 0 0 0.09 8633 8631 C2 SLES 1 -26.9355 -1.9035 -17.7475 CTL2 8628 8632 8633 8634 -0.18 8634 8632 H21 SLES 1 -26.8622 -2.91993 -18.1951 HAL2 8631 0 0 0 0.09 8635 8633 H22 SLES 1 -27.0137 -2.01995 -16.6444 HAL2 8631 0 0 0 0.09 8636 8634 C3 SLES 1 -25.6023 -1.07959 -18.0969 CTL2 8631 8635 8636 8637 -0.18 8637 8635 H31 SLES 1 -25.0795 -1.57995 -18.9423 HAL2 8634 0 0 0 0.09 8638 8636 H32 SLES 1 -25.8839 -0.0598614 -18.4272 HAL2 8634 0 0 0 0.09 8639 8637 C4 SLES 1 -24.6046 -0.965916 -16.8706 CTL2 8634 8638 8639 8640 -0.18 8640 8638 H41 SLES 1 -23.7783 -1.69373 -17.0105 HAL2 8637 0 0 0 0.09 8641 8639 H42 SLES 1 -25.1429 -1.23462 -15.9361 HAL2 8637 0 0 0 0.09 8642 8640 C5 SLES 1 -23.9903 0.497698 -16.712 CTL2 8637 8641 8642 8643 -0.18 8643 8641 H51 SLES 1 -24.1229 1.05258 -17.667 HAL2 8640 0 0 0 0.09 8644 8642 H52 SLES 1 -24.5514 1.04263 -15.9189 HAL2 8640 0 0 0 0.09 8645 8643 C6 SLES 1 -22.4599 0.483816 -16.3391 CTL2 8640 8644 8645 8646 -0.18 8646 8644 H61 SLES 1 -21.8725 0.163302 -17.2287 HAL2 8643 0 0 0 0.09 8647 8645 H62 SLES 1 -22.1425 1.51928 -16.0735 HAL2 8643 0 0 0 0.09 8648 8646 C7 SLES 1 -22.1364 -0.468956 -15.145 CTL2 8643 8647 8648 8649 -0.18 8649 8647 H71 SLES 1 -22.0628 -1.51263 -15.5233 HAL2 8646 0 0 0 0.09 8650 8648 H72 SLES 1 -22.971 -0.427912 -14.4102 HAL2 8646 0 0 0 0.09 8651 8649 C8 SLES 1 -20.8139 -0.0993278 -14.428 CTL2 8646 8650 8651 8652 -0.18 8652 8650 H81 SLES 1 -20.0236 0.0819178 -15.1921 HAL2 8649 0 0 0 0.09 8653 8651 H82 SLES 1 -20.962 0.844566 -13.8555 HAL2 8649 0 0 0 0.09 8654 8652 C9 SLES 1 -20.3359 -1.20962 -13.4589 CTL2 8649 8653 8654 8655 -0.18 8655 8653 H91 SLES 1 -20.2166 -2.16035 -14.0266 HAL2 8652 0 0 0 0.09 8656 8654 H92 SLES 1 -21.1141 -1.37052 -12.6792 HAL2 8652 0 0 0 0.09 8657 8655 C10 SLES 1 -18.9951 -0.862401 -12.7696 CTL2 8652 8656 8657 8658 -0.18 8658 8656 H10 SLES 1 -18.2108 -0.724299 -13.5484 HAL2 8655 0 0 0 0.09 8659 8657 H10 SLES 1 -19.1072 0.0995526 -12.2199 HAL2 8655 0 0 0 0.09 8660 8658 C11 SLES 1 -18.5349 -1.96267 -11.7768 CTL2 8655 8659 8660 8661 -0.18 8661 8659 H11 SLES 1 -18.4177 -2.92104 -12.3326 HAL2 8658 0 0 0 0.09 8662 8660 H11 SLES 1 -19.3301 -2.10973 -11.0106 HAL2 8658 0 0 0 0.09 8663 8661 C12 SLES 1 -17.2011 -1.6363 -11.0565 CTL3 8658 8662 8663 8664 -0.27 8664 8662 H12 SLES 1 -16.4425 -2.42025 -11.274 HAL3 8661 0 0 0 0.09 8665 8663 H12 SLES 1 -17.3573 -1.58988 -9.95614 HAL3 8661 0 0 0 0.09 8666 8664 H12 SLES 1 -16.8056 -0.6556 -11.3999 HAL3 8661 0 0 0 0.09 8667 8665 NA SLES 1 -36.0661 9.86206 -23.5384 NA 0 0 0 0 1 8668 8666 S SLES 1 -32.9926 11.2614 -24.9335 SL 8667 8668 8669 8670 1.33 8669 8667 OS1 SLES 1 -33.0752 10.4032 -23.4968 OSL 8666 8671 0 0 -0.28 8670 8668 OS2 SLES 1 -33.5131 10.3856 -25.9628 O2L 8666 0 0 0 -0.65 8671 8669 OS3 SLES 1 -33.8671 12.404 -24.7709 O2L 8666 0 0 0 -0.65 8672 8670 OS4 SLES 1 -31.6563 11.7083 -25.2925 O2L 8666 0 0 0 -0.65 8673 8671 C2 SLES 1 -31.7046 10.1121 -22.9899 CC32A 8667 8672 8673 8674 -0.11 8674 8672 H2A SLES 1 -31.0984 9.57363 -23.7708 HCA2 8671 0 0 0 0.09 8675 8673 H2B SLES 1 -31.1996 11.0876 -22.7454 HCA2 8671 0 0 0 0.09 8676 8674 C1 SLES 1 -31.8081 9.21073 -21.6699 CC32A 8671 8675 8676 8677 -0.01 8677 8675 H1B SLES 1 -32.3854 8.28302 -21.8886 HCA2 8674 0 0 0 0.09 8678 8676 H1A SLES 1 -32.33 9.77695 -20.8636 HCA2 8674 0 0 0 0.09 8679 8677 O1 SLES 1 -30.5841 8.69849 -21.0239 OC30A 8674 8678 0 0 -0.34 8680 8678 C2 SLES 1 -29.3475 9.35668 -21.3705 CC32A 8677 8679 8680 8681 -0.01 8681 8679 H2A SLES 1 -29.2947 9.17672 -22.4621 HCA2 8678 0 0 0 0.09 8682 8680 H2B SLES 1 -29.5893 10.4291 -21.1951 HCA2 8678 0 0 0 0.09 8683 8681 C1 SLES 1 -27.9695 9.01682 -20.7202 CC32A 8678 8682 8683 8684 -0.01 8684 8682 H1B SLES 1 -27.4575 8.22985 -21.3157 HCA2 8681 0 0 0 0.09 8685 8683 H1A SLES 1 -27.3346 9.92539 -20.7122 HCA2 8681 0 0 0 0.09 8686 8684 O1 SLES 1 -27.8329 8.44749 -19.3786 OC30A 8681 8685 0 0 -0.34 8687 8685 C1 SLES 1 -26.5917 8.81075 -18.6705 CTL2 8684 8686 8687 8688 -0.18 8688 8686 H11 SLES 1 -25.9289 9.30198 -19.4058 HAL2 8685 0 0 0 0.09 8689 8687 H12 SLES 1 -26.9637 9.57692 -17.9593 HAL2 8685 0 0 0 0.09 8690 8688 C2 SLES 1 -25.7846 7.70066 -17.8879 CTL2 8685 8689 8690 8691 -0.18 8691 8689 H21 SLES 1 -26.2894 6.71821 -18.0249 HAL2 8688 0 0 0 0.09 8692 8690 H22 SLES 1 -25.7961 7.94306 -16.8027 HAL2 8688 0 0 0 0.09 8693 8691 C3 SLES 1 -24.2623 7.58151 -18.3848 CTL2 8688 8692 8693 8694 -0.18 8694 8692 H31 SLES 1 -24.161 6.67697 -19.025 HAL2 8691 0 0 0 0.09 8695 8693 H32 SLES 1 -24.0143 8.4661 -19.0047 HAL2 8691 0 0 0 0.09 8696 8694 C4 SLES 1 -23.2259 7.48406 -17.1896 CTL2 8691 8695 8696 8697 -0.18 8697 8695 H41 SLES 1 -22.909 6.42659 -17.0738 HAL2 8694 0 0 0 0.09 8698 8696 H42 SLES 1 -23.7251 7.79696 -16.2473 HAL2 8694 0 0 0 0.09 8699 8697 C5 SLES 1 -21.9359 8.39383 -17.4194 CTL2 8694 8698 8699 8700 -0.18 8700 8698 H51 SLES 1 -21.8641 8.65637 -18.4979 HAL2 8697 0 0 0 0.09 8701 8699 H52 SLES 1 -22.0525 9.34045 -16.8438 HAL2 8697 0 0 0 0.09 8702 8700 C6 SLES 1 -20.5995 7.68676 -16.977 CTL2 8697 8701 8702 8703 -0.18 8703 8701 H61 SLES 1 -20.3557 6.88259 -17.707 HAL2 8700 0 0 0 0.09 8704 8702 H62 SLES 1 -19.7709 8.43262 -16.9988 HAL2 8700 0 0 0 0.09 8705 8703 C7 SLES 1 -20.6876 7.06655 -15.5467 CTL2 8700 8704 8705 8706 -0.18 8706 8704 H71 SLES 1 -21.1989 6.0805 -15.6097 HAL2 8703 0 0 0 0.09 8707 8705 H72 SLES 1 -21.3016 7.7312 -14.8989 HAL2 8703 0 0 0 0.09 8708 8706 C8 SLES 1 -19.2962 6.871 -14.8943 CTL2 8703 8707 8708 8709 -0.18 8709 8707 H81 SLES 1 -18.6092 6.40178 -15.6355 HAL2 8706 0 0 0 0.09 8710 8708 H82 SLES 1 -18.8792 7.86702 -14.6211 HAL2 8706 0 0 0 0.09 8711 8709 C9 SLES 1 -19.3566 5.98226 -13.6267 CTL2 8706 8710 8711 8712 -0.18 8712 8710 H91 SLES 1 -19.8011 4.99694 -13.8949 HAL2 8709 0 0 0 0.09 8713 8711 H92 SLES 1 -20.0213 6.46587 -12.8759 HAL2 8709 0 0 0 0.09 8714 8712 C10 SLES 1 -17.964 5.75155 -12.9936 CTL2 8709 8713 8714 8715 -0.18 8715 8713 H10 SLES 1 -17.3058 5.24655 -13.7369 HAL2 8712 0 0 0 0.09 8716 8714 H10 SLES 1 -17.5095 6.7374 -12.7455 HAL2 8712 0 0 0 0.09 8717 8715 C11 SLES 1 -18.0321 4.88662 -11.7071 CTL2 8712 8716 8717 8718 -0.18 8718 8716 H11 SLES 1 -18.4809 3.89934 -11.9619 HAL2 8715 0 0 0 0.09 8719 8717 H11 SLES 1 -18.7054 5.38661 -10.9739 HAL2 8715 0 0 0 0.09 8720 8718 C12 SLES 1 -16.6528 4.65092 -11.0388 CTL3 8715 8719 8720 8721 -0.27 8721 8719 H12 SLES 1 -16.4304 3.56235 -10.9849 HAL3 8718 0 0 0 0.09 8722 8720 H12 SLES 1 -16.6476 5.06522 -10.0065 HAL3 8718 0 0 0 0.09 8723 8721 H12 SLES 1 -15.8489 5.14821 -11.6242 HAL3 8718 0 0 0 0.09 8724 8722 NA SLES 1 -29.8575 22.4096 -23.6309 NA 0 0 0 0 1 8725 8723 S SLES 1 -26.8306 21.5967 -25.509 SL 8724 8725 8726 8727 1.33 8726 8724 OS1 SLES 1 -27.0595 21.2495 -23.886 OSL 8723 8728 0 0 -0.28 8727 8725 OS2 SLES 1 -27.9079 20.9425 -26.2225 O2L 8723 0 0 0 -0.65 8728 8726 OS3 SLES 1 -26.9578 23.0336 -25.6354 O2L 8723 0 0 0 -0.65 8729 8727 OS4 SLES 1 -25.5489 21.1647 -26.0428 O2L 8723 0 0 0 -0.65 8730 8728 C2 SLES 1 -25.9565 20.3831 -23.3829 CC32A 8724 8729 8730 8731 -0.11 8731 8729 H2A SLES 1 -25.8679 19.4505 -24.0072 HCA2 8728 0 0 0 0.09 8732 8730 H2B SLES 1 -24.9918 20.9586 -23.4488 HCA2 8728 0 0 0 0.09 8733 8731 C1 SLES 1 -26.2471 19.9869 -21.8583 CC32A 8728 8732 8733 8734 -0.01 8734 8732 H1B SLES 1 -27.2436 19.4947 -21.7779 HCA2 8731 0 0 0 0.09 8735 8733 H1A SLES 1 -26.246 20.9022 -21.2215 HCA2 8731 0 0 0 0.09 8736 8734 O1 SLES 1 -25.3527 19.0489 -21.1525 OC30A 8731 8735 0 0 -0.34 8737 8735 C2 SLES 1 -24.0457 18.8454 -21.7295 CC32A 8734 8736 8737 8738 -0.01 8738 8736 H2A SLES 1 -24.3008 18.4364 -22.7267 HCA2 8735 0 0 0 0.09 8739 8737 H2B SLES 1 -23.6736 19.8873 -21.8536 HCA2 8735 0 0 0 0.09 8740 8738 C1 SLES 1 -22.9339 17.966 -21.0757 CC32A 8735 8739 8740 8741 -0.01 8741 8739 H1B SLES 1 -23.0147 16.9214 -21.4476 HCA2 8738 0 0 0 0.09 8742 8740 H1A SLES 1 -21.9389 18.3665 -21.3553 HCA2 8738 0 0 0 0.09 8743 8741 O1 SLES 1 -22.8505 17.7159 -19.6357 OC30A 8738 8742 0 0 -0.34 8744 8742 C1 SLES 1 -21.4872 17.4955 -19.1192 CTL2 8741 8743 8744 8745 -0.18 8745 8743 H11 SLES 1 -20.8216 17.3816 -19.9939 HAL2 8742 0 0 0 0.09 8746 8744 H12 SLES 1 -21.2771 18.4727 -18.6372 HAL2 8742 0 0 0 0.09 8747 8745 C2 SLES 1 -21.2198 16.324 -18.0934 CTL2 8742 8746 8747 8748 -0.18 8748 8746 H21 SLES 1 -22.1673 15.7656 -17.9226 HAL2 8745 0 0 0 0.09 8749 8747 H22 SLES 1 -20.8996 16.7602 -17.122 HAL2 8745 0 0 0 0.09 8750 8748 C3 SLES 1 -20.0941 15.3009 -18.6079 CTL2 8745 8749 8750 8751 -0.18 8751 8749 H31 SLES 1 -20.5884 14.3719 -18.9698 HAL2 8748 0 0 0 0.09 8752 8750 H32 SLES 1 -19.5566 15.7556 -19.4638 HAL2 8748 0 0 0 0.09 8753 8751 C4 SLES 1 -19.043 14.9197 -17.4844 CTL2 8748 8752 8753 8754 -0.18 8754 8752 H41 SLES 1 -19.2887 13.912 -17.0891 HAL2 8751 0 0 0 0.09 8755 8753 H42 SLES 1 -19.1248 15.6453 -16.6467 HAL2 8751 0 0 0 0.09 8756 8754 C5 SLES 1 -17.5415 14.9175 -18.0232 CTL2 8751 8755 8756 8757 -0.18 8757 8755 H51 SLES 1 -17.5544 14.8617 -19.1342 HAL2 8754 0 0 0 0.09 8758 8756 H52 SLES 1 -17.0511 15.8751 -17.7344 HAL2 8754 0 0 0 0.09 8759 8757 C6 SLES 1 -16.69 13.7166 -17.4626 CTL2 8754 8758 8759 8760 -0.18 8760 8758 H61 SLES 1 -17.0308 12.7735 -17.9458 HAL2 8757 0 0 0 0.09 8761 8759 H62 SLES 1 -15.6199 13.8738 -17.7339 HAL2 8757 0 0 0 0.09 8762 8760 C7 SLES 1 -16.8044 13.5649 -15.9127 CTL2 8757 8761 8762 8763 -0.18 8763 8761 H71 SLES 1 -17.7451 13.0231 -15.6697 HAL2 8760 0 0 0 0.09 8764 8762 H72 SLES 1 -16.8613 14.576 -15.4513 HAL2 8760 0 0 0 0.09 8765 8763 C8 SLES 1 -15.6079 12.7964 -15.2984 CTL2 8760 8764 8765 8766 -0.18 8766 8764 H81 SLES 1 -15.4087 11.8853 -15.9081 HAL2 8763 0 0 0 0.09 8767 8765 H82 SLES 1 -14.7014 13.4422 -15.3384 HAL2 8763 0 0 0 0.09 8768 8766 C9 SLES 1 -15.8659 12.3761 -13.8297 CTL2 8763 8767 8768 8769 -0.18 8769 8767 H91 SLES 1 -16.7892 11.7548 -13.7866 HAL2 8766 0 0 0 0.09 8770 8768 H92 SLES 1 -16.0372 13.289 -13.2158 HAL2 8766 0 0 0 0.09 8771 8769 C10 SLES 1 -14.6898 11.574 -13.2239 CTL2 8766 8770 8771 8772 -0.18 8772 8770 H10 SLES 1 -14.5332 10.6488 -13.8241 HAL2 8769 0 0 0 0.09 8773 8771 H10 SLES 1 -13.7616 12.1861 -13.2868 HAL2 8769 0 0 0 0.09 8774 8772 C11 SLES 1 -14.9385 11.1814 -11.7434 CTL2 8769 8773 8774 8775 -0.18 8775 8773 H11 SLES 1 -15.8639 10.5637 -11.6867 HAL2 8772 0 0 0 0.09 8776 8774 H11 SLES 1 -15.1123 12.1085 -11.1508 HAL2 8772 0 0 0 0.09 8777 8775 C12 SLES 1 -13.7695 10.39 -11.1019 CTL3 8772 8776 8777 8778 -0.27 8778 8776 H12 SLES 1 -14.1223 9.39456 -10.7526 HAL3 8775 0 0 0 0.09 8779 8777 H12 SLES 1 -13.3585 10.9461 -10.2305 HAL3 8775 0 0 0 0.09 8780 8778 H12 SLES 1 -12.9535 10.2372 -11.8415 HAL3 8775 0 0 0 0.09 8781 8779 NA SLES 1 -19.2323 31.742 -23.9718 NA 0 0 0 0 1 8782 8780 S SLES 1 -17.6264 29.1611 -25.9991 SL 8781 8782 8783 8784 1.33 8783 8781 OS1 SLES 1 -17.5796 29.2155 -24.3251 OSL 8780 8785 0 0 -0.28 8784 8782 OS2 SLES 1 -19.0264 29.1173 -26.3672 O2L 8780 0 0 0 -0.65 8785 8783 OS3 SLES 1 -17.035 30.4001 -26.4591 O2L 8780 0 0 0 -0.65 8786 8784 OS4 SLES 1 -16.9246 28.0304 -26.5852 O2L 8780 0 0 0 -0.65 8787 8785 C2 SLES 1 -16.9824 27.9619 -23.7845 CC32A 8781 8786 8787 8788 -0.11 8788 8786 H2A SLES 1 -17.5403 27.0606 -24.1635 HCA2 8785 0 0 0 0.09 8789 8787 H2B SLES 1 -15.9126 27.899 -24.1275 HCA2 8785 0 0 0 0.09 8790 8788 C1 SLES 1 -17.0362 27.9967 -22.1839 CC32A 8785 8789 8790 8791 -0.01 8791 8789 H1B SLES 1 -18.0863 28.1478 -21.8431 HCA2 8788 0 0 0 0.09 8792 8790 H1A SLES 1 -16.41 28.8361 -21.8013 HCA2 8788 0 0 0 0.09 8793 8791 O1 SLES 1 -16.5958 26.8255 -21.4015 OC30A 8788 8792 0 0 -0.34 8794 8792 C2 SLES 1 -15.7683 25.8638 -22.0894 CC32A 8791 8793 8794 8795 -0.01 8795 8793 H2A SLES 1 -16.4386 25.5338 -22.9071 HCA2 8792 0 0 0 0.09 8796 8794 H2B SLES 1 -14.9651 26.5032 -22.52 HCA2 8792 0 0 0 0.09 8797 8795 C1 SLES 1 -15.1322 24.6146 -21.4022 CC32A 8792 8796 8797 8798 -0.01 8798 8796 H1B SLES 1 -15.8225 23.7474 -21.4876 HCA2 8795 0 0 0 0.09 8799 8797 H1A SLES 1 -14.1803 24.3622 -21.911 HCA2 8795 0 0 0 0.09 8800 8798 O1 SLES 1 -14.8253 24.5536 -19.9723 OC30A 8795 8799 0 0 -0.34 8801 8799 C1 SLES 1 -13.6828 23.6923 -19.6161 CTL2 8798 8800 8801 8802 -0.18 8802 8800 H11 SLES 1 -13.4139 23.117 -20.5204 HAL2 8799 0 0 0 0.09 8803 8801 H12 SLES 1 -12.8922 24.4476 -19.4268 HAL2 8799 0 0 0 0.09 8804 8802 C2 SLES 1 -13.7962 22.7147 -18.3801 CTL2 8799 8803 8804 8805 -0.18 8805 8803 H21 SLES 1 -14.8166 22.7963 -17.9432 HAL2 8802 0 0 0 0.09 8806 8804 H22 SLES 1 -13.065 23.0281 -17.6031 HAL2 8802 0 0 0 0.09 8807 8805 C3 SLES 1 -13.5177 21.1844 -18.7787 CTL2 8802 8806 8807 8808 -0.18 8808 8806 H31 SLES 1 -14.4875 20.6407 -18.8245 HAL2 8805 0 0 0 0.09 8809 8807 H32 SLES 1 -13.0614 21.1512 -19.7881 HAL2 8805 0 0 0 0.09 8810 8808 C4 SLES 1 -12.5601 20.4421 -17.7567 CTL2 8805 8809 8810 8811 -0.18 8811 8809 H41 SLES 1 -13.1731 19.7976 -17.0927 HAL2 8808 0 0 0 0.09 8812 8810 H42 SLES 1 -12.0474 21.1972 -17.1227 HAL2 8808 0 0 0 0.09 8813 8811 C5 SLES 1 -11.4607 19.545 -18.4856 CTL2 8808 8812 8813 8814 -0.18 8814 8812 H51 SLES 1 -11.7812 19.3586 -19.5344 HAL2 8811 0 0 0 0.09 8815 8813 H52 SLES 1 -10.4981 20.1048 -18.5163 HAL2 8811 0 0 0 0.09 8816 8814 C6 SLES 1 -11.2257 18.161 -17.7709 CTL2 8811 8815 8816 8817 -0.18 8817 8815 H61 SLES 1 -12.107 17.5053 -17.9512 HAL2 8814 0 0 0 0.09 8818 8816 H62 SLES 1 -10.3331 17.6676 -18.2219 HAL2 8814 0 0 0 0.09 8819 8817 C7 SLES 1 -11.0039 18.3043 -16.2319 CTL2 8814 8818 8819 8820 -0.18 8820 8818 H71 SLES 1 -11.9921 18.4054 -15.7309 HAL2 8817 0 0 0 0.09 8821 8819 H72 SLES 1 -10.4214 19.2314 -16.0329 HAL2 8817 0 0 0 0.09 8822 8820 C8 SLES 1 -10.252 17.095 -15.6222 CTL2 8817 8821 8822 8823 -0.18 8823 8821 H81 SLES 1 -10.7041 16.1527 -16.0083 HAL2 8820 0 0 0 0.09 8824 8822 H82 SLES 1 -9.18778 17.1255 -15.9497 HAL2 8820 0 0 0 0.09 8825 8823 C9 SLES 1 -10.3052 17.0846 -14.0739 CTL2 8820 8824 8825 8826 -0.18 8826 8824 H91 SLES 1 -11.3699 17.084 -13.7471 HAL2 8823 0 0 0 0.09 8827 8825 H92 SLES 1 -9.82808 18.0136 -13.6882 HAL2 8823 0 0 0 0.09 8828 8826 C10 SLES 1 -9.58913 15.8577 -13.4611 CTL2 8823 8827 8828 8829 -0.18 8829 8827 H10 SLES 1 -10.0812 14.9284 -13.8286 HAL2 8826 0 0 0 0.09 8830 8828 H10 SLES 1 -8.53013 15.8454 -13.8052 HAL2 8826 0 0 0 0.09 8831 8829 C11 SLES 1 -9.61778 15.8666 -11.9096 CTL2 8826 8830 8831 8832 -0.18 8832 8830 H11 SLES 1 -10.6789 15.872 -11.5705 HAL2 8829 0 0 0 0.09 8833 8831 H11 SLES 1 -9.14085 16.8059 -11.5474 HAL2 8829 0 0 0 0.09 8834 8832 C12 SLES 1 -8.89307 14.6571 -11.2643 CTL3 8829 8833 8834 8835 -0.27 8835 8833 H12 SLES 1 -9.5998 14.0754 -10.6322 HAL3 8832 0 0 0 0.09 8836 8834 H12 SLES 1 -8.05174 15.0063 -10.6259 HAL3 8832 0 0 0 0.09 8837 8835 H12 SLES 1 -8.48576 13.9851 -12.0508 HAL3 8832 0 0 0 0.09 8838 8836 NA SLES 1 -5.84471 36.249 -24.575 NA 0 0 0 0 1 8839 8837 S SLES 1 -6.46147 33.1427 -26.3974 SL 8838 8839 8840 8841 1.33 8840 8838 OS1 SLES 1 -5.92147 33.2196 -24.8131 OSL 8837 8842 0 0 -0.28 8841 8839 OS2 SLES 1 -7.71792 33.862 -26.4359 O2L 8837 0 0 0 -0.65 8842 8840 OS3 SLES 1 -5.47204 33.8373 -27.1943 O2L 8837 0 0 0 -0.65 8843 8841 OS4 SLES 1 -6.64756 31.7932 -26.9058 O2L 8837 0 0 0 -0.65 8844 8842 C2 SLES 1 -5.93664 31.8633 -24.1962 CC32A 8838 8843 8844 8845 -0.11 8845 8843 H2A SLES 1 -6.9614 31.4037 -24.2726 HCA2 8842 0 0 0 0.09 8846 8844 H2B SLES 1 -5.20321 31.2119 -24.7476 HCA2 8842 0 0 0 0.09 8847 8845 C1 SLES 1 -5.50873 31.9765 -22.6568 CC32A 8842 8846 8847 8848 -0.01 8848 8846 H1B SLES 1 -6.18113 32.6907 -22.128 HCA2 8845 0 0 0 0.09 8849 8847 H1A SLES 1 -4.45989 32.3471 -22.5806 HCA2 8845 0 0 0 0.09 8850 8848 O1 SLES 1 -5.53923 30.7833 -21.789 OC30A 8845 8849 0 0 -0.34 8851 8849 C2 SLES 1 -5.56506 29.5025 -22.4534 CC32A 8848 8850 8851 8852 -0.01 8852 8850 H2A SLES 1 -6.50852 29.5667 -23.0301 HCA2 8849 0 0 0 0.09 8853 8851 H2B SLES 1 -4.7074 29.581 -23.1588 HCA2 8849 0 0 0 0.09 8854 8852 C1 SLES 1 -5.50504 28.1334 -21.7054 CC32A 8849 8853 8854 8855 -0.01 8855 8853 H1B SLES 1 -6.53591 27.785 -21.4775 HCA2 8852 0 0 0 0.09 8856 8854 H1A SLES 1 -5.01199 27.3828 -22.3551 HCA2 8852 0 0 0 0.09 8857 8855 O1 SLES 1 -4.88413 27.9628 -20.3908 OC30A 8852 8856 0 0 -0.34 8858 8856 C1 SLES 1 -4.30814 26.6286 -20.1418 CTL2 8855 8857 8858 8859 -0.18 8859 8857 H11 SLES 1 -4.64562 25.9696 -20.9622 HAL2 8856 0 0 0 0.09 8860 8858 H12 SLES 1 -3.22507 26.8321 -20.2716 HAL2 8856 0 0 0 0.09 8861 8859 C2 SLES 1 -4.55662 25.9165 -18.7535 CTL2 8856 8860 8861 8862 -0.18 8862 8860 H21 SLES 1 -5.21387 26.5596 -18.1264 HAL2 8859 0 0 0 0.09 8863 8861 H22 SLES 1 -3.58417 25.8035 -18.2261 HAL2 8859 0 0 0 0.09 8864 8862 C3 SLES 1 -5.23831 24.4718 -18.9165 CTL2 8859 8863 8864 8865 -0.18 8865 8863 H31 SLES 1 -6.31569 24.5484 -18.6488 HAL2 8862 0 0 0 0.09 8866 8864 H32 SLES 1 -5.17321 24.1592 -19.9778 HAL2 8862 0 0 0 0.09 8867 8865 C4 SLES 1 -4.56125 23.3612 -18.0107 CTL2 8862 8866 8867 8868 -0.18 8868 8866 H41 SLES 1 -5.20201 23.1819 -17.1223 HAL2 8865 0 0 0 0.09 8869 8867 H42 SLES 1 -3.57651 23.7322 -17.6534 HAL2 8865 0 0 0 0.09 8870 8868 C5 SLES 1 -4.3458 21.9836 -18.7858 CTL2 8865 8869 8870 8871 -0.18 8871 8869 H51 SLES 1 -4.99803 21.9681 -19.6868 HAL2 8868 0 0 0 0.09 8872 8870 H52 SLES 1 -3.28759 21.9219 -19.1283 HAL2 8868 0 0 0 0.09 8873 8871 C6 SLES 1 -4.67153 20.7231 -17.8991 CTL2 8868 8872 8873 8874 -0.18 8874 8872 H61 SLES 1 -5.7736 20.6529 -17.7591 HAL2 8871 0 0 0 0.09 8875 8873 H62 SLES 1 -4.3349 19.8057 -18.4363 HAL2 8871 0 0 0 0.09 8876 8874 C7 SLES 1 -3.98249 20.7736 -16.4987 CTL2 8871 8875 8876 8877 -0.18 8877 8875 H71 SLES 1 -4.58545 21.4174 -15.8207 HAL2 8874 0 0 0 0.09 8878 8876 H72 SLES 1 -2.97546 21.235 -16.605 HAL2 8874 0 0 0 0.09 8879 8877 C8 SLES 1 -3.83026 19.3717 -15.8576 CTL2 8874 8878 8879 8880 -0.18 8880 8878 H81 SLES 1 -4.79297 18.8196 -15.9564 HAL2 8877 0 0 0 0.09 8881 8879 H82 SLES 1 -3.0486 18.8019 -16.4099 HAL2 8877 0 0 0 0.09 8882 8880 C9 SLES 1 -3.44017 19.445 -14.36 CTL2 8877 8881 8882 8883 -0.18 8883 8881 H91 SLES 1 -4.20695 20.04 -13.8138 HAL2 8880 0 0 0 0.09 8884 8882 H92 SLES 1 -2.46429 19.9723 -14.2647 HAL2 8880 0 0 0 0.09 8885 8883 C10 SLES 1 -3.32516 18.0482 -13.7049 CTL2 8880 8884 8885 8886 -0.18 8886 8884 H10 SLES 1 -4.30811 17.5295 -13.7795 HAL2 8883 0 0 0 0.09 8887 8885 H10 SLES 1 -2.5746 17.445 -14.2642 HAL2 8883 0 0 0 0.09 8888 8886 C11 SLES 1 -2.90438 18.1243 -12.2133 CTL2 8883 8887 8888 8889 -0.18 8889 8887 H11 SLES 1 -3.66168 18.7228 -11.657 HAL2 8886 0 0 0 0.09 8890 8888 H11 SLES 1 -1.92996 18.6595 -12.1423 HAL2 8886 0 0 0 0.09 8891 8889 C12 SLES 1 -2.76411 16.7384 -11.532 CTL3 8886 8890 8891 8892 -0.27 8892 8890 H12 SLES 1 -3.45698 16.6619 -10.6651 HAL3 8889 0 0 0 0.09 8893 8891 H12 SLES 1 -1.72346 16.5902 -11.1681 HAL3 8889 0 0 0 0.09 8894 8892 H12 SLES 1 -3.00665 15.9267 -12.2521 HAL3 8889 0 0 0 0.09 8895 8893 NA SLES 1 8.06102 35.2262 -25.4208 NA 0 0 0 0 1 8896 8894 S SLES 1 5.39653 33.0835 -26.7091 SL 8895 8896 8897 8898 1.33 8897 8895 OS1 SLES 1 6.30499 32.7463 -25.3422 OSL 8894 8899 0 0 -0.28 8898 8896 OS2 SLES 1 4.77173 34.3693 -26.4771 O2L 8894 0 0 0 -0.65 8899 8897 OS3 SLES 1 6.33858 33.1843 -27.804 O2L 8894 0 0 0 -0.65 8900 8898 OS4 SLES 1 4.38227 32.0887 -27.0191 O2L 8894 0 0 0 -0.65 8901 8899 C2 SLES 1 5.73362 31.5758 -24.6185 CC32A 8895 8900 8901 8902 -0.11 8902 8900 H2A SLES 1 4.64898 31.7511 -24.3735 HCA2 8899 0 0 0 0.09 8903 8901 H2B SLES 1 5.81556 30.6707 -25.2821 HCA2 8899 0 0 0 0.09 8904 8902 C1 SLES 1 6.55997 31.3328 -23.2679 CC32A 8899 8903 8904 8905 -0.01 8905 8903 H1B SLES 1 6.55418 32.2589 -22.6482 HCA2 8902 0 0 0 0.09 8906 8904 H1A SLES 1 7.61584 31.0698 -23.5111 HCA2 8902 0 0 0 0.09 8907 8905 O1 SLES 1 6.13325 30.2899 -22.3149 OC30A 8902 8906 0 0 -0.34 8908 8906 C2 SLES 1 5.24063 29.2766 -22.824 CC32A 8905 8907 8908 8909 -0.01 8909 8907 H2A SLES 1 4.36448 29.8812 -23.1301 HCA2 8906 0 0 0 0.09 8910 8908 H2B SLES 1 5.77163 28.9264 -23.7376 HCA2 8906 0 0 0 0.09 8911 8909 C1 SLES 1 4.75845 28.0457 -21.9936 CC32A 8906 8910 8911 8912 -0.01 8912 8910 H1B SLES 1 3.81262 28.2965 -21.4658 HCA2 8909 0 0 0 0.09 8913 8911 H1A SLES 1 4.56842 27.1945 -22.6777 HCA2 8909 0 0 0 0.09 8914 8912 O1 SLES 1 5.52393 27.4759 -20.8835 OC30A 8909 8913 0 0 -0.34 8915 8913 C1 SLES 1 5.33392 26.029 -20.6731 CTL2 8912 8914 8915 8916 -0.18 8916 8914 H11 SLES 1 4.48441 25.7162 -21.3069 HAL2 8913 0 0 0 0.09 8917 8915 H12 SLES 1 6.27043 25.6217 -21.107 HAL2 8913 0 0 0 0.09 8918 8916 C2 SLES 1 5.13584 25.4714 -19.2081 CTL2 8913 8917 8918 8919 -0.18 8919 8917 H21 SLES 1 5.13102 26.323 -18.4915 HAL2 8916 0 0 0 0.09 8920 8918 H22 SLES 1 5.99527 24.8137 -18.9525 HAL2 8916 0 0 0 0.09 8921 8919 C3 SLES 1 3.77083 24.6416 -19.0451 CTL2 8916 8920 8921 8922 -0.18 8922 8920 H31 SLES 1 3.02752 25.2709 -18.5068 HAL2 8919 0 0 0 0.09 8923 8921 H32 SLES 1 3.36192 24.4175 -20.0505 HAL2 8919 0 0 0 0.09 8924 8922 C4 SLES 1 3.96277 23.2821 -18.2532 CTL2 8919 8923 8924 8925 -0.18 8925 8923 H41 SLES 1 3.60089 23.4178 -17.2126 HAL2 8922 0 0 0 0.09 8926 8924 H42 SLES 1 5.04536 23.0348 -18.2096 HAL2 8922 0 0 0 0.09 8927 8925 C5 SLES 1 3.17982 22.0647 -18.9238 CTL2 8922 8926 8927 8928 -0.18 8928 8926 H51 SLES 1 2.40335 22.467 -19.6113 HAL2 8925 0 0 0 0.09 8929 8927 H52 SLES 1 3.89521 21.4633 -19.53 HAL2 8925 0 0 0 0.09 8930 8928 C6 SLES 1 2.48693 21.124 -17.8672 CTL2 8925 8929 8930 8931 -0.18 8931 8929 H61 SLES 1 1.60979 21.6526 -17.4309 HAL2 8928 0 0 0 0.09 8932 8930 H62 SLES 1 2.11361 20.2101 -18.3858 HAL2 8928 0 0 0 0.09 8933 8931 C7 SLES 1 3.44922 20.6966 -16.7141 CTL2 8928 8932 8933 8934 -0.18 8934 8932 H71 SLES 1 3.50209 21.516 -15.9633 HAL2 8931 0 0 0 0.09 8935 8933 H72 SLES 1 4.47035 20.545 -17.1296 HAL2 8931 0 0 0 0.09 8936 8934 C8 SLES 1 2.99336 19.3956 -16.0078 CTL2 8931 8935 8936 8937 -0.18 8937 8935 H81 SLES 1 1.90221 19.4613 -15.7922 HAL2 8934 0 0 0 0.09 8938 8936 H82 SLES 1 3.15739 18.5329 -16.6929 HAL2 8934 0 0 0 0.09 8939 8937 C9 SLES 1 3.75659 19.1426 -14.6834 CTL2 8934 8938 8939 8940 -0.18 8940 8938 H91 SLES 1 3.61633 20.0188 -14.0104 HAL2 8937 0 0 0 0.09 8941 8939 H92 SLES 1 4.84395 19.0492 -14.9035 HAL2 8937 0 0 0 0.09 8942 8940 C10 SLES 1 3.27768 17.865 -13.9542 CTL2 8937 8941 8942 8943 -0.18 8943 8941 H10 SLES 1 2.19507 17.968 -13.7131 HAL2 8940 0 0 0 0.09 8944 8942 H10 SLES 1 3.39698 16.9916 -14.6346 HAL2 8940 0 0 0 0.09 8945 8943 C11 SLES 1 4.0652 17.5981 -12.644 CTL2 8940 8944 8945 8946 -0.18 8946 8944 H11 SLES 1 3.93714 18.4714 -11.9642 HAL2 8943 0 0 0 0.09 8947 8945 H11 SLES 1 5.1489 17.5137 -12.8878 HAL2 8943 0 0 0 0.09 8948 8946 C12 SLES 1 3.61949 16.3141 -11.8975 CTL3 8943 8947 8948 8949 -0.27 8949 8947 H12 SLES 1 3.26543 16.5657 -10.8734 HAL3 8946 0 0 0 0.09 8950 8948 H12 SLES 1 4.4692 15.6012 -11.8135 HAL3 8946 0 0 0 0.09 8951 8949 H12 SLES 1 2.79117 15.8151 -12.4461 HAL3 8946 0 0 0 0.09 8952 8950 NA SLES 1 20.1854 29.0629 -26.4572 NA 0 0 0 0 1 8953 8951 S SLES 1 16.568 28.9168 -26.9506 SL 8952 8953 8954 8955 1.33 8954 8952 OS1 SLES 1 17.4206 27.9297 -25.8989 OSL 8951 8956 0 0 -0.28 8955 8953 OS2 SLES 1 16.8414 30.2796 -26.5437 O2L 8951 0 0 0 -0.65 8956 8954 OS3 SLES 1 17.1209 28.6757 -28.2669 O2L 8951 0 0 0 -0.65 8957 8955 OS4 SLES 1 15.1328 28.6832 -26.9665 O2L 8951 0 0 0 -0.65 8958 8956 C2 SLES 1 16.48 27.1457 -25.0499 CC32A 8952 8957 8958 8959 -0.11 8959 8957 H2A SLES 1 15.7704 27.8303 -24.5068 HCA2 8956 0 0 0 0.09 8960 8958 H2B SLES 1 15.8863 26.4589 -25.7148 HCA2 8956 0 0 0 0.09 8961 8959 C1 SLES 1 17.316 26.2832 -23.9901 CC32A 8956 8960 8961 8962 -0.01 8962 8960 H1B SLES 1 17.9719 26.954 -23.3887 HCA2 8959 0 0 0 0.09 8963 8961 H1A SLES 1 17.9541 25.5409 -24.5238 HCA2 8959 0 0 0 0.09 8964 8962 O1 SLES 1 16.615 25.4906 -22.9614 OC30A 8959 8963 0 0 -0.34 8965 8963 C2 SLES 1 15.2203 25.2091 -23.2027 CC32A 8962 8964 8965 8966 -0.01 8966 8964 H2A SLES 1 14.7886 26.2283 -23.2446 HCA2 8963 0 0 0 0.09 8967 8965 H2B SLES 1 15.2361 24.7837 -24.2313 HCA2 8963 0 0 0 0.09 8968 8966 C1 SLES 1 14.3418 24.31 -22.2769 CC32A 8963 8967 8968 8969 -0.01 8969 8967 H1B SLES 1 13.8505 24.9371 -21.5014 HCA2 8966 0 0 0 0.09 8970 8968 H1A SLES 1 13.5568 23.8164 -22.8841 HCA2 8966 0 0 0 0.09 8971 8969 O1 SLES 1 14.8911 23.248 -21.4324 OC30A 8966 8970 0 0 -0.34 8972 8970 C1 SLES 1 13.9811 22.1145 -21.1852 CTL2 8969 8971 8972 8973 -0.18 8973 8971 H11 SLES 1 12.9827 22.4116 -21.5543 HAL2 8970 0 0 0 0.09 8974 8972 H12 SLES 1 14.3994 21.3472 -21.869 HAL2 8970 0 0 0 0.09 8975 8973 C2 SLES 1 13.8518 21.5193 -19.7274 CTL2 8970 8974 8975 8976 -0.18 8976 8974 H21 SLES 1 14.4894 22.1119 -19.0338 HAL2 8973 0 0 0 0.09 8977 8975 H22 SLES 1 14.2288 20.4731 -19.7294 HAL2 8973 0 0 0 0.09 8978 8976 C3 SLES 1 12.339 21.5328 -19.1893 CTL2 8973 8977 8978 8979 -0.18 8979 8977 H31 SLES 1 12.2227 22.3643 -18.4589 HAL2 8976 0 0 0 0.09 8980 8978 H32 SLES 1 11.655 21.7287 -20.039 HAL2 8976 0 0 0 0.09 8981 8979 C4 SLES 1 11.9169 20.1734 -18.4921 CTL2 8976 8980 8981 8982 -0.18 8982 8980 H41 SLES 1 11.9456 20.3099 -17.3909 HAL2 8979 0 0 0 0.09 8983 8981 H42 SLES 1 12.6516 19.3832 -18.7584 HAL2 8979 0 0 0 0.09 8984 8982 C5 SLES 1 10.4582 19.6903 -18.9207 CTL2 8979 8983 8984 8985 -0.18 8985 8983 H51 SLES 1 9.90461 20.5504 -19.3578 HAL2 8982 0 0 0 0.09 8986 8984 H52 SLES 1 10.552 18.908 -19.7082 HAL2 8982 0 0 0 0.09 8987 8985 C6 SLES 1 9.62622 19.1077 -17.7166 CTL2 8982 8986 8987 8988 -0.18 8988 8986 H61 SLES 1 9.32348 19.9436 -17.0467 HAL2 8985 0 0 0 0.09 8989 8987 H62 SLES 1 8.69856 18.633 -18.1135 HAL2 8985 0 0 0 0.09 8990 8988 C7 SLES 1 10.4218 18.0518 -16.8857 CTL2 8985 8989 8990 8991 -0.18 8991 8989 H71 SLES 1 11.0953 18.5813 -16.1759 HAL2 8988 0 0 0 0.09 8992 8990 H72 SLES 1 11.0545 17.4485 -17.5743 HAL2 8988 0 0 0 0.09 8993 8991 C8 SLES 1 9.49638 17.1006 -16.0868 CTL2 8988 8992 8993 8994 -0.18 8994 8992 H81 SLES 1 8.71368 17.7026 -15.5706 HAL2 8991 0 0 0 0.09 8995 8993 H82 SLES 1 8.98678 16.4087 -16.7954 HAL2 8991 0 0 0 0.09 8996 8994 C9 SLES 1 10.2704 16.2678 -15.0343 CTL2 8991 8995 8996 8997 -0.18 8997 8995 H91 SLES 1 10.8037 16.9603 -14.3441 HAL2 8994 0 0 0 0.09 8998 8996 H92 SLES 1 11.0336 15.6456 -15.5538 HAL2 8994 0 0 0 0.09 8999 8997 C10 SLES 1 9.34501 15.3447 -14.2068 CTL2 8994 8998 8999 9000 -0.18 9000 8998 H10 SLES 1 8.59583 15.9689 -13.6684 HAL2 8997 0 0 0 0.09 9001 8999 H10 SLES 1 8.79488 14.6669 -14.8981 HAL2 8997 0 0 0 0.09 9002 9000 C11 SLES 1 10.1273 14.4897 -13.1748 CTL2 8997 9001 9002 9003 -0.18 9003 9001 H11 SLES 1 10.6703 15.1721 -12.4815 HAL2 9000 0 0 0 0.09 9004 9002 H11 SLES 1 10.8872 13.8808 -13.716 HAL2 9000 0 0 0 0.09 9005 9003 C12 SLES 1 9.22884 13.5407 -12.3401 CTL3 9000 9004 9005 9006 -0.27 9006 9004 H12 SLES 1 9.32459 13.7719 -11.2563 HAL3 9003 0 0 0 0.09 9007 9005 H12 SLES 1 9.52747 12.4819 -12.5044 HAL3 9003 0 0 0 0.09 9008 9006 H12 SLES 1 8.16318 13.6581 -12.6346 HAL3 9003 0 0 0 0.09 9009 9007 NA SLES 1 28.7259 19.0999 -27.6062 NA 0 0 0 0 1 9010 9008 S SLES 1 25.6529 21.0226 -27.1476 SL 9009 9010 9011 9012 1.33 9011 9009 OS1 SLES 1 25.9395 19.519 -26.466 OSL 9008 9013 0 0 -0.28 9012 9010 OS2 SLES 1 26.7166 21.8899 -26.6854 O2L 9008 0 0 0 -0.65 9013 9011 OS3 SLES 1 25.7535 20.8409 -28.5806 O2L 9008 0 0 0 -0.65 9014 9012 OS4 SLES 1 24.3615 21.6003 -26.8117 O2L 9008 0 0 0 -0.65 9015 9013 C2 SLES 1 24.8669 19.1829 -25.4877 CC32A 9009 9014 9015 9016 -0.11 9016 9014 H2A SLES 1 24.7727 19.9901 -24.7088 HCA2 9013 0 0 0 0.09 9017 9015 H2B SLES 1 23.8918 19.0964 -26.0425 HCA2 9013 0 0 0 0.09 9018 9016 C1 SLES 1 25.2128 17.7877 -24.7808 CC32A 9013 9017 9018 9019 -0.01 9019 9017 H1B SLES 1 26.2189 17.843 -24.3049 HCA2 9016 0 0 0 0.09 9020 9018 H1A SLES 1 25.218 16.9695 -25.5381 HCA2 9016 0 0 0 0.09 9021 9019 O1 SLES 1 24.3564 17.2749 -23.6938 OC30A 9016 9020 0 0 -0.34 9022 9020 C2 SLES 1 23.0348 17.845 -23.5897 CC32A 9019 9021 9022 9023 -0.01 9023 9021 H2A SLES 1 23.2638 18.9136 -23.4095 HCA2 9020 0 0 0 0.09 9024 9022 H2B SLES 1 22.6427 17.7319 -24.6255 HCA2 9020 0 0 0 0.09 9025 9023 C1 SLES 1 21.9584 17.3642 -22.5662 CC32A 9020 9024 9025 9026 -0.01 9026 9024 H1B SLES 1 22.0435 17.9539 -21.6276 HCA2 9023 0 0 0 0.09 9027 9025 H1A SLES 1 20.9488 17.5231 -22.9952 HCA2 9023 0 0 0 0.09 9028 9026 O1 SLES 1 21.9255 16.0098 -22.0118 OC30A 9023 9027 0 0 -0.34 9029 9027 C1 SLES 1 20.5832 15.5144 -21.6557 CTL2 9026 9028 9029 9030 -0.18 9030 9028 H11 SLES 1 19.8916 16.374 -21.7171 HAL2 9027 0 0 0 0.09 9031 9029 H12 SLES 1 20.3736 14.828 -22.5021 HAL2 9027 0 0 0 0.09 9032 9030 C2 SLES 1 20.3674 14.757 -20.286 CTL2 9027 9031 9032 9033 -0.18 9033 9031 H21 SLES 1 21.3285 14.7369 -19.7252 HAL2 9030 0 0 0 0.09 9034 9032 H22 SLES 1 20.072 13.7059 -20.4969 HAL2 9030 0 0 0 0.09 9035 9033 C3 SLES 1 19.2417 15.4472 -19.3722 CTL2 9030 9034 9035 9036 -0.18 9036 9034 H31 SLES 1 19.7385 16.014 -18.5535 HAL2 9033 0 0 0 0.09 9037 9035 H32 SLES 1 18.6699 16.17 -19.9877 HAL2 9033 0 0 0 0.09 9038 9036 C4 SLES 1 18.2335 14.4026 -18.7361 CTL2 9033 9037 9038 9039 -0.18 9039 9037 H41 SLES 1 18.5075 14.24 -17.6728 HAL2 9036 0 0 0 0.09 9040 9038 H42 SLES 1 18.3311 13.4313 -19.2671 HAL2 9036 0 0 0 0.09 9041 9039 C5 SLES 1 16.7156 14.8867 -18.8161 CTL2 9036 9040 9041 9042 -0.18 9042 9040 H51 SLES 1 16.6935 15.9836 -18.9999 HAL2 9039 0 0 0 0.09 9043 9041 H52 SLES 1 16.22 14.3853 -19.6785 HAL2 9039 0 0 0 0.09 9044 9042 C6 SLES 1 15.9015 14.5733 -17.5044 CTL2 9039 9043 9044 9045 -0.18 9045 9043 H61 SLES 1 16.2412 15.2572 -16.6945 HAL2 9042 0 0 0 0.09 9046 9044 H62 SLES 1 14.8209 14.7742 -17.6923 HAL2 9042 0 0 0 0.09 9047 9045 C7 SLES 1 16.0682 13.096 -17.0269 CTL2 9042 9046 9047 9048 -0.18 9048 9046 H71 SLES 1 17.0247 13.0016 -16.4665 HAL2 9045 0 0 0 0.09 9049 9047 H72 SLES 1 16.1243 12.43 -17.9167 HAL2 9045 0 0 0 0.09 9050 9048 C8 SLES 1 14.9044 12.6276 -16.1183 CTL2 9045 9049 9050 9051 -0.18 9051 9049 H81 SLES 1 14.6997 13.4128 -15.3548 HAL2 9048 0 0 0 0.09 9052 9050 H82 SLES 1 13.9871 12.5023 -16.7376 HAL2 9048 0 0 0 0.09 9053 9051 C9 SLES 1 15.2161 11.2912 -15.3991 CTL2 9048 9052 9053 9054 -0.18 9054 9052 H91 SLES 1 16.1499 11.4086 -14.8036 HAL2 9051 0 0 0 0.09 9055 9053 H92 SLES 1 15.393 10.5008 -16.1628 HAL2 9051 0 0 0 0.09 9056 9054 C10 SLES 1 14.0729 10.8389 -14.46 CTL2 9051 9055 9056 9057 -0.18 9057 9055 H10 SLES 1 13.9114 11.6192 -13.6816 HAL2 9054 0 0 0 0.09 9058 9056 H10 SLES 1 13.1338 10.7427 -15.0506 HAL2 9054 0 0 0 0.09 9059 9057 C11 SLES 1 14.3754 9.48489 -13.765 CTL2 9054 9058 9059 9060 -0.18 9060 9058 H11 SLES 1 15.3117 9.58827 -13.1702 HAL2 9057 0 0 0 0.09 9061 9059 H11 SLES 1 14.5538 8.71212 -14.5473 HAL2 9057 0 0 0 0.09 9062 9060 C12 SLES 1 13.2401 8.99554 -12.8289 CTL3 9057 9061 9062 9063 -0.27 9063 9061 H12 SLES 1 13.6196 8.87832 -11.7898 HAL3 9060 0 0 0 0.09 9064 9062 H12 SLES 1 12.8489 8.01388 -13.1762 HAL3 9060 0 0 0 0.09 9065 9063 H12 SLES 1 12.4032 9.7274 -12.82 HAL3 9060 0 0 0 0.09 9066 9064 NA SLES 1 32.7441 7.21037 -28.7735 NA 0 0 0 0 1 9067 9065 S SLES 1 31.3749 10.2759 -27.332 SL 9066 9067 9068 9069 1.33 9068 9066 OS1 SLES 1 30.7836 8.7387 -27.0241 OSL 9065 9070 0 0 -0.28 9069 9067 OS2 SLES 1 32.7697 10.2625 -26.9423 O2L 9065 0 0 0 -0.65 9070 9068 OS3 SLES 1 31.2653 10.4706 -28.7626 O2L 9065 0 0 0 -0.65 9071 9069 OS4 SLES 1 30.6754 11.3418 -26.6327 O2L 9065 0 0 0 -0.65 9072 9070 C2 SLES 1 29.775 8.7835 -25.9282 CC32A 9066 9071 9072 9073 -0.11 9073 9071 H2A SLES 1 30.2105 9.26213 -25.0071 HCA2 9070 0 0 0 0.09 9074 9072 H2B SLES 1 28.8967 9.39493 -26.2758 HCA2 9070 0 0 0 0.09 9075 9073 C1 SLES 1 29.296 7.29341 -25.5876 CC32A 9070 9074 9075 9076 -0.01 9076 9074 H1B SLES 1 30.1768 6.66206 -25.3281 HCA2 9073 0 0 0 0.09 9077 9075 H1A SLES 1 28.7829 6.84825 -26.4717 HCA2 9073 0 0 0 0.09 9078 9076 O1 SLES 1 28.3684 7.05089 -24.4657 OC30A 9073 9077 0 0 -0.34 9079 9077 C2 SLES 1 27.6259 8.19081 -23.9841 CC32A 9076 9078 9079 9080 -0.01 9080 9078 H2A SLES 1 28.4392 8.8666 -23.6544 HCA2 9077 0 0 0 0.09 9081 9079 H2B SLES 1 27.1784 8.59759 -24.9188 HCA2 9077 0 0 0 0.09 9082 9080 C1 SLES 1 26.5337 8.11027 -22.8716 CC32A 9077 9081 9082 9083 -0.01 9083 9081 H1B SLES 1 26.9997 8.27514 -21.8757 HCA2 9080 0 0 0 0.09 9084 9082 H1A SLES 1 25.7763 8.90088 -23.0445 HCA2 9080 0 0 0 0.09 9085 9083 O1 SLES 1 25.7602 6.89947 -22.5914 OC30A 9080 9084 0 0 -0.34 9086 9084 C1 SLES 1 24.4022 7.13454 -22.0673 CTL2 9083 9085 9086 9087 -0.18 9087 9085 H11 SLES 1 24.3301 8.20898 -21.8192 HAL2 9084 0 0 0 0.09 9088 9086 H12 SLES 1 23.7846 6.93495 -22.9673 HAL2 9084 0 0 0 0.09 9089 9087 C2 SLES 1 23.873 6.27339 -20.853 CTL2 9084 9088 9089 9090 -0.18 9090 9088 H21 SLES 1 24.6789 5.58314 -20.517 HAL2 9087 0 0 0 0.09 9091 9089 H22 SLES 1 23.0139 5.65584 -21.1951 HAL2 9087 0 0 0 0.09 9092 9090 C3 SLES 1 23.4085 7.18029 -19.6119 CTL2 9087 9091 9092 9093 -0.18 9093 9091 H31 SLES 1 24.1896 7.13703 -18.8205 HAL2 9090 0 0 0 0.09 9094 9092 H32 SLES 1 23.3216 8.23326 -19.9464 HAL2 9090 0 0 0 0.09 9095 9093 C4 SLES 1 22.0236 6.7212 -18.9928 CTL2 9090 9094 9095 9096 -0.18 9096 9094 H41 SLES 1 22.2177 6.15168 -18.06 HAL2 9093 0 0 0 0.09 9097 9095 H42 SLES 1 21.5112 6.04225 -19.708 HAL2 9093 0 0 0 0.09 9098 9096 C5 SLES 1 21.0604 7.94954 -18.6638 CTL2 9093 9097 9098 9099 -0.18 9099 9097 H51 SLES 1 21.6632 8.8837 -18.6261 HAL2 9096 0 0 0 0.09 9100 9098 H52 SLES 1 20.3152 8.0561 -19.4849 HAL2 9096 0 0 0 0.09 9101 9099 C6 SLES 1 20.2958 7.78097 -17.2969 CTL2 9096 9100 9101 9102 -0.18 9102 9100 H61 SLES 1 21.0158 7.9182 -16.4591 HAL2 9099 0 0 0 0.09 9103 9101 H62 SLES 1 19.5193 8.57718 -17.2158 HAL2 9099 0 0 0 0.09 9104 9102 C7 SLES 1 19.6095 6.38554 -17.1552 CTL2 9099 9103 9104 9105 -0.18 9105 9103 H71 SLES 1 20.3687 5.63894 -16.8329 HAL2 9102 0 0 0 0.09 9106 9104 H72 SLES 1 19.2175 6.07027 -18.1479 HAL2 9102 0 0 0 0.09 9107 9105 C8 SLES 1 18.4461 6.39377 -16.1325 CTL2 9102 9106 9107 9108 -0.18 9108 9106 H81 SLES 1 18.778 6.91892 -15.2076 HAL2 9105 0 0 0 0.09 9109 9107 H82 SLES 1 17.5886 6.9608 -16.5613 HAL2 9105 0 0 0 0.09 9110 9108 C9 SLES 1 17.9739 4.96549 -15.7619 CTL2 9105 9109 9110 9111 -0.18 9111 9109 H91 SLES 1 18.8388 4.3898 -15.3607 HAL2 9108 0 0 0 0.09 9112 9110 H92 SLES 1 17.6163 4.45124 -16.6823 HAL2 9108 0 0 0 0.09 9113 9111 C10 SLES 1 16.8384 4.96699 -14.7111 CTL2 9108 9112 9113 9114 -0.18 9114 9112 H10 SLES 1 17.2035 5.46072 -13.7818 HAL2 9111 0 0 0 0.09 9115 9113 H10 SLES 1 15.9817 5.56106 -15.1024 HAL2 9111 0 0 0 0.09 9116 9114 C11 SLES 1 16.347 3.53631 -14.3652 CTL2 9111 9115 9116 9117 -0.18 9117 9115 H11 SLES 1 17.2058 2.94833 -13.9679 HAL2 9114 0 0 0 0.09 9118 9116 H11 SLES 1 15.9998 3.04041 -15.3003 HAL2 9114 0 0 0 0.09 9119 9117 C12 SLES 1 15.1966 3.50487 -13.326 CTL3 9114 9118 9119 9120 -0.27 9120 9118 H12 SLES 1 15.5013 2.92101 -12.4296 HAL3 9117 0 0 0 0.09 9121 9119 H12 SLES 1 14.291 3.03185 -13.766 HAL3 9117 0 0 0 0.09 9122 9120 H12 SLES 1 14.9366 4.53708 -13.0049 HAL3 9117 0 0 0 0.09 9123 9121 NA SLES 1 32.2196 -4.72225 -29.861 NA 0 0 0 0 1 9124 9122 S SLES 1 32.7852 -1.95987 -27.5373 SL 9123 9124 9125 9126 1.33 9125 9123 OS1 SLES 1 31.4089 -2.91537 -27.555 OSL 9122 9127 0 0 -0.28 9126 9124 OS2 SLES 1 33.9036 -2.85842 -27.3392 O2L 9122 0 0 0 -0.65 9127 9125 OS3 SLES 1 32.8694 -1.35065 -28.8481 O2L 9122 0 0 0 -0.65 9128 9126 OS4 SLES 1 32.7902 -0.929238 -26.5115 O2L 9122 0 0 0 -0.65 9129 9127 C2 SLES 1 30.5598 -2.61942 -26.3668 CC32A 9123 9128 9129 9130 -0.11 9130 9128 H2A SLES 1 31.1497 -2.74392 -25.4162 HCA2 9127 0 0 0 0.09 9131 9129 H2B SLES 1 30.2044 -1.55412 -26.4382 HCA2 9127 0 0 0 0.09 9132 9130 C1 SLES 1 29.301 -3.60997 -26.3551 CC32A 9127 9131 9132 9133 -0.01 9133 9131 H1B SLES 1 29.6509 -4.66781 -26.3737 HCA2 9130 0 0 0 0.09 9134 9132 H1A SLES 1 28.665 -3.42613 -27.2523 HCA2 9130 0 0 0 0.09 9135 9133 O1 SLES 1 28.353 -3.59098 -25.2243 OC30A 9130 9134 0 0 -0.34 9136 9134 C2 SLES 1 28.3745 -2.4182 -24.3836 CC32A 9133 9135 9136 9137 -0.01 9137 9135 H2A SLES 1 29.4126 -2.43637 -23.9979 HCA2 9134 0 0 0 0.09 9138 9136 H2B SLES 1 28.281 -1.59137 -25.1232 HCA2 9134 0 0 0 0.09 9139 9137 C1 SLES 1 27.3844 -2.17792 -23.2007 CC32A 9134 9138 9139 9140 -0.01 9140 9138 H1B SLES 1 27.8167 -2.58532 -22.261 HCA2 9137 0 0 0 0.09 9141 9139 H1A SLES 1 27.2228 -1.08865 -23.0743 HCA2 9137 0 0 0 0.09 9142 9140 O1 SLES 1 26.0465 -2.76881 -23.1404 OC30A 9137 9141 0 0 -0.34 9143 9141 C1 SLES 1 25.0447 -1.97051 -22.4101 CTL2 9140 9142 9143 9144 -0.18 9144 9142 H11 SLES 1 25.5885 -1.15927 -21.893 HAL2 9141 0 0 0 0.09 9145 9143 H12 SLES 1 24.4641 -1.53194 -23.2478 HAL2 9141 0 0 0 0.09 9146 9144 C2 SLES 1 24.0657 -2.6833 -21.3954 CTL2 9141 9145 9146 9147 -0.18 9147 9145 H21 SLES 1 24.3172 -3.76642 -21.346 HAL2 9144 0 0 0 0.09 9148 9146 H22 SLES 1 23.0238 -2.59054 -21.7727 HAL2 9144 0 0 0 0.09 9149 9147 C3 SLES 1 24.1486 -2.05826 -19.9186 CTL2 9144 9148 9149 9150 -0.18 9150 9148 H31 SLES 1 24.7294 -2.74798 -19.2664 HAL2 9147 0 0 0 0.09 9151 9149 H32 SLES 1 24.6935 -1.09431 -19.9643 HAL2 9147 0 0 0 0.09 9152 9150 C4 SLES 1 22.724 -1.8135 -19.2683 CTL2 9147 9151 9152 9153 -0.18 9153 9151 H41 SLES 1 22.5169 -2.62521 -18.54 HAL2 9150 0 0 0 0.09 9154 9152 H42 SLES 1 21.9477 -1.8595 -20.0621 HAL2 9150 0 0 0 0.09 9155 9153 C5 SLES 1 22.6219 -0.40595 -18.5245 CTL2 9150 9154 9155 9156 -0.18 9156 9154 H51 SLES 1 23.6479 -0.0236919 -18.3282 HAL2 9153 0 0 0 0.09 9157 9155 H52 SLES 1 22.108 0.321391 -19.1938 HAL2 9153 0 0 0 0.09 9158 9156 C6 SLES 1 21.8389 -0.488139 -17.1601 CTL2 9153 9157 9158 9159 -0.18 9159 9157 H61 SLES 1 22.4706 -1.01548 -16.4105 HAL2 9156 0 0 0 0.09 9160 9158 H62 SLES 1 21.6537 0.54591 -16.7861 HAL2 9156 0 0 0 0.09 9161 9159 C7 SLES 1 20.473 -1.23375 -17.2899 CTL2 9156 9160 9161 9162 -0.18 9162 9160 H71 SLES 1 20.6547 -2.33101 -17.2621 HAL2 9159 0 0 0 0.09 9163 9161 H72 SLES 1 20.0153 -0.986161 -18.2735 HAL2 9159 0 0 0 0.09 9164 9162 C8 SLES 1 19.4793 -0.859466 -16.1621 CTL2 9159 9163 9164 9165 -0.18 9165 9163 H81 SLES 1 20.0107 -0.890708 -15.1833 HAL2 9162 0 0 0 0.09 9166 9164 H82 SLES 1 19.1193 0.181894 -16.3252 HAL2 9162 0 0 0 0.09 9167 9165 C9 SLES 1 18.2601 -1.81387 -16.1069 CTL2 9162 9166 9167 9168 -0.18 9168 9166 H91 SLES 1 18.6225 -2.8585 -15.9735 HAL2 9165 0 0 0 0.09 9169 9167 H92 SLES 1 17.7137 -1.76097 -17.0755 HAL2 9165 0 0 0 0.09 9170 9168 C10 SLES 1 17.2842 -1.4682 -14.9574 CTL2 9165 9169 9170 9171 -0.18 9171 9169 H10 SLES 1 17.8247 -1.54382 -13.9863 HAL2 9168 0 0 0 0.09 9172 9170 H10 SLES 1 16.9385 -0.41649 -15.0777 HAL2 9168 0 0 0 0.09 9173 9171 C11 SLES 1 16.049 -2.4069 -14.924 CTL2 9168 9172 9173 9174 -0.18 9174 9172 H11 SLES 1 16.3995 -3.45667 -14.7967 HAL2 9171 0 0 0 0.09 9175 9173 H11 SLES 1 15.5221 -2.34138 -15.9034 HAL2 9171 0 0 0 0.09 9176 9174 C12 SLES 1 15.0424 -2.07542 -13.792 CTL3 9171 9175 9176 9177 -0.27 9177 9175 H12 SLES 1 14.9193 -2.95013 -13.1159 HAL3 9174 0 0 0 0.09 9178 9176 H12 SLES 1 14.0494 -1.8167 -14.2212 HAL3 9174 0 0 0 0.09 9179 9177 H12 SLES 1 15.4049 -1.2123 -13.1922 HAL3 9174 0 0 0 0.09 9180 9178 NA SLES 1 27.8066 -15.2141 -30.78 NA 0 0 0 0 1 9181 9179 S SLES 1 29.4929 -13.9515 -27.7946 SL 9180 9181 9182 9183 1.33 9182 9180 OS1 SLES 1 27.837 -13.8914 -28.0433 OSL 9179 9184 0 0 -0.28 9183 9181 OS2 SLES 1 29.8685 -15.3475 -27.8816 O2L 9179 0 0 0 -0.65 9184 9182 OS3 SLES 1 30.0912 -13.2117 -28.8861 O2L 9179 0 0 0 -0.65 9185 9183 OS4 SLES 1 29.9318 -13.3988 -26.5232 O2L 9179 0 0 0 -0.65 9186 9184 C2 SLES 1 27.1437 -13.4533 -26.7992 CC32A 9180 9185 9186 9187 -0.11 9187 9185 H2A SLES 1 27.4184 -14.1209 -25.9355 HCA2 9184 0 0 0 0.09 9188 9186 H2B SLES 1 27.465 -12.4011 -26.5629 HCA2 9184 0 0 0 0.09 9189 9187 C1 SLES 1 25.5596 -13.4957 -27.0324 CC32A 9184 9188 9189 9190 -0.01 9190 9188 H1B SLES 1 25.2508 -14.5174 -27.3528 HCA2 9187 0 0 0 0.09 9191 9189 H1A SLES 1 25.2732 -12.768 -27.8271 HCA2 9187 0 0 0 0.09 9192 9190 O1 SLES 1 24.6379 -13.2019 -25.9179 OC30A 9187 9191 0 0 -0.34 9193 9191 C2 SLES 1 25.1966 -12.5039 -24.7851 CC32A 9190 9192 9193 9194 -0.01 9194 9192 H2A SLES 1 25.9763 -13.2134 -24.4453 HCA2 9191 0 0 0 0.09 9195 9193 H2B SLES 1 25.6918 -11.6289 -25.2632 HCA2 9191 0 0 0 0.09 9196 9194 C1 SLES 1 24.358 -12.026 -23.5581 CC32A 9191 9195 9196 9197 -0.01 9197 9195 H1B SLES 1 24.3466 -12.8196 -22.7795 HCA2 9194 0 0 0 0.09 9198 9196 H1A SLES 1 24.8224 -11.1152 -23.1299 HCA2 9194 0 0 0 0.09 9199 9197 O1 SLES 1 22.9277 -11.7233 -23.6315 OC30A 9194 9198 0 0 -0.34 9200 9198 C1 SLES 1 22.4585 -10.6959 -22.6837 CTL2 9197 9199 9200 9201 -0.18 9201 9199 H11 SLES 1 23.2846 -10.5047 -21.9749 HAL2 9198 0 0 0 0.09 9202 9200 H12 SLES 1 22.3523 -9.81642 -23.3519 HAL2 9198 0 0 0 0.09 9203 9201 C2 SLES 1 21.1158 -10.9255 -21.8833 CTL2 9198 9202 9203 9204 -0.18 9204 9202 H21 SLES 1 20.703 -11.926 -22.1432 HAL2 9201 0 0 0 0.09 9205 9203 H22 SLES 1 20.3739 -10.1577 -22.1942 HAL2 9201 0 0 0 0.09 9206 9204 C3 SLES 1 21.3254 -10.8419 -20.2935 CTL2 9201 9205 9206 9207 -0.18 9207 9205 H31 SLES 1 21.3165 -11.8723 -19.8732 HAL2 9204 0 0 0 0.09 9208 9206 H32 SLES 1 22.3185 -10.3975 -20.0828 HAL2 9204 0 0 0 0.09 9209 9207 C4 SLES 1 20.2115 -9.98043 -19.5659 CTL2 9204 9208 9209 9210 -0.18 9210 9208 H41 SLES 1 19.4819 -10.6664 -19.0871 HAL2 9207 0 0 0 0.09 9211 9209 H42 SLES 1 19.6668 -9.37483 -20.3219 HAL2 9207 0 0 0 0.09 9212 9210 C5 SLES 1 20.8157 -9.00466 -18.4579 CTL2 9207 9211 9212 9213 -0.18 9213 9211 H51 SLES 1 21.8381 -9.35023 -18.1883 HAL2 9210 0 0 0 0.09 9214 9212 H52 SLES 1 20.9026 -7.97979 -18.8858 HAL2 9210 0 0 0 0.09 9215 9213 C6 SLES 1 19.9381 -8.94148 -17.1513 CTL2 9210 9214 9215 9216 -0.18 9216 9214 H61 SLES 1 20.0483 -9.89849 -16.5936 HAL2 9213 0 0 0 0.09 9217 9215 H62 SLES 1 20.3169 -8.11936 -16.5001 HAL2 9213 0 0 0 0.09 9218 9216 C7 SLES 1 18.4249 -8.69725 -17.4496 CTL2 9213 9217 9218 9219 -0.18 9219 9217 H71 SLES 1 17.9504 -9.66299 -17.7324 HAL2 9216 0 0 0 0.09 9220 9218 H72 SLES 1 18.3319 -8.00269 -18.3141 HAL2 9216 0 0 0 0.09 9221 9219 C8 SLES 1 17.6667 -8.09978 -16.2381 CTL2 9216 9220 9221 9222 -0.18 9222 9220 H81 SLES 1 17.9423 -8.66762 -15.32 HAL2 9219 0 0 0 0.09 9223 9221 H82 SLES 1 17.9838 -7.04148 -16.0964 HAL2 9219 0 0 0 0.09 9224 9222 C9 SLES 1 16.1289 -8.14757 -16.4204 CTL2 9219 9223 9224 9225 -0.18 9225 9223 H91 SLES 1 15.8162 -9.20266 -16.5916 HAL2 9222 0 0 0 0.09 9226 9224 H92 SLES 1 15.8519 -7.55661 -17.3223 HAL2 9222 0 0 0 0.09 9227 9225 C10 SLES 1 15.366 -7.58791 -15.1964 CTL2 9222 9226 9227 9228 -0.18 9228 9226 H10 SLES 1 15.625 -8.19371 -14.2983 HAL2 9225 0 0 0 0.09 9229 9227 H10 SLES 1 15.6945 -6.54016 -15.0111 HAL2 9225 0 0 0 0.09 9230 9228 C11 SLES 1 13.8271 -7.60892 -15.395 CTL2 9225 9229 9230 9231 -0.18 9231 9229 H11 SLES 1 13.5027 -8.65969 -15.5731 HAL2 9228 0 0 0 0.09 9232 9230 H11 SLES 1 13.5746 -7.01691 -16.3042 HAL2 9228 0 0 0 0.09 9233 9231 C12 SLES 1 13.0337 -7.03834 -14.191 CTL3 9228 9232 9233 9234 -0.27 9234 9232 H12 SLES 1 12.3445 -7.80962 -13.7819 HAL3 9231 0 0 0 0.09 9235 9233 H12 SLES 1 12.4325 -6.15738 -14.5069 HAL3 9231 0 0 0 0.09 9236 9234 H12 SLES 1 13.7297 -6.72136 -13.384 HAL3 9231 0 0 0 0.09 9237 9235 NA SLES 1 20.4477 -23.324 -31.4637 NA 0 0 0 0 1 9238 9236 S SLES 1 21.8437 -23.8472 -28.1278 SL 9237 9238 9239 9240 1.33 9239 9237 OS1 SLES 1 20.6105 -22.7688 -28.4795 OSL 9236 9241 0 0 -0.28 9240 9238 OS2 SLES 1 21.38 -25.1512 -28.5547 O2L 9236 0 0 0 -0.65 9241 9239 OS3 SLES 1 22.9766 -23.44 -28.9324 O2L 9236 0 0 0 -0.65 9242 9240 OS4 SLES 1 22.2236 -23.8916 -26.7249 O2L 9236 0 0 0 -0.65 9243 9241 C2 SLES 1 20.0286 -22.222 -27.2215 CC32A 9237 9242 9243 9244 -0.11 9244 9242 H2A SLES 1 19.6832 -23.0557 -26.5486 HCA2 9241 0 0 0 0.09 9245 9243 H2B SLES 1 20.8229 -21.6291 -26.6887 HCA2 9241 0 0 0 0.09 9246 9244 C1 SLES 1 18.7917 -21.2694 -27.58 CC32A 9241 9245 9246 9247 -0.01 9247 9245 H1B SLES 1 18.0431 -21.8315 -28.1845 HCA2 9244 0 0 0 0.09 9248 9246 H1A SLES 1 19.1464 -20.3933 -28.1715 HCA2 9244 0 0 0 0.09 9249 9247 O1 SLES 1 17.9752 -20.6773 -26.5027 OC30A 9244 9248 0 0 -0.34 9250 9248 C2 SLES 1 18.5629 -20.6557 -25.1849 CC32A 9247 9249 9250 9251 -0.01 9251 9249 H2A SLES 1 18.7125 -21.7352 -24.9871 HCA2 9248 0 0 0 0.09 9252 9250 H2B SLES 1 19.5541 -20.1846 -25.3721 HCA2 9248 0 0 0 0.09 9253 9251 C1 SLES 1 17.8911 -19.988 -23.9439 CC32A 9248 9252 9253 9254 -0.01 9254 9252 H1B SLES 1 17.2654 -20.7351 -23.4087 HCA2 9251 0 0 0 0.09 9255 9253 H1A SLES 1 18.678 -19.624 -23.2534 HCA2 9251 0 0 0 0.09 9256 9254 O1 SLES 1 16.9354 -18.8838 -24.0449 OC30A 9251 9255 0 0 -0.34 9257 9255 C1 SLES 1 16.928 -17.9587 -22.8968 CTL2 9254 9256 9257 9258 -0.18 9258 9256 H11 SLES 1 17.5383 -18.4223 -22.1007 HAL2 9255 0 0 0 0.09 9259 9257 H12 SLES 1 17.4836 -17.0927 -23.3123 HAL2 9255 0 0 0 0.09 9260 9258 C2 SLES 1 15.5511 -17.4721 -22.2937 CTL2 9255 9259 9260 9261 -0.18 9261 9259 H21 SLES 1 14.718 -17.9658 -22.8424 HAL2 9258 0 0 0 0.09 9262 9260 H22 SLES 1 15.458 -16.3744 -22.4452 HAL2 9258 0 0 0 0.09 9263 9261 C3 SLES 1 15.4149 -17.8011 -20.7279 CTL2 9258 9262 9263 9264 -0.18 9264 9262 H31 SLES 1 14.7375 -18.6746 -20.5998 HAL2 9261 0 0 0 0.09 9265 9263 H32 SLES 1 16.4103 -18.0816 -20.3297 HAL2 9261 0 0 0 0.09 9266 9264 C4 SLES 1 14.8485 -16.5836 -19.8858 CTL2 9261 9265 9266 9267 -0.18 9267 9265 H41 SLES 1 13.776 -16.7666 -19.6657 HAL2 9264 0 0 0 0.09 9268 9266 H42 SLES 1 14.9199 -15.6554 -20.4928 HAL2 9264 0 0 0 0.09 9269 9267 C5 SLES 1 15.6337 -16.3673 -18.5141 CTL2 9264 9268 9269 9270 -0.18 9270 9268 H51 SLES 1 16.1966 -17.2946 -18.2678 HAL2 9267 0 0 0 0.09 9271 9269 H52 SLES 1 16.372 -15.5434 -18.6448 HAL2 9267 0 0 0 0.09 9272 9270 C6 SLES 1 14.6807 -16.0148 -17.3104 CTL2 9267 9271 9272 9273 -0.18 9273 9271 H61 SLES 1 14.1092 -16.9253 -17.0214 HAL2 9270 0 0 0 0.09 9274 9272 H62 SLES 1 15.3005 -15.707 -16.436 HAL2 9270 0 0 0 0.09 9275 9273 C7 SLES 1 13.6756 -14.8689 -17.6495 CTL2 9270 9274 9275 9276 -0.18 9276 9274 H71 SLES 1 12.8177 -15.2946 -18.2157 HAL2 9273 0 0 0 0.09 9277 9275 H72 SLES 1 14.1812 -14.1225 -18.3018 HAL2 9273 0 0 0 0.09 9278 9276 C8 SLES 1 13.1384 -14.1528 -16.3853 CTL2 9273 9277 9278 9279 -0.18 9279 9277 H81 SLES 1 12.8376 -14.918 -15.6334 HAL2 9276 0 0 0 0.09 9280 9278 H82 SLES 1 13.9536 -13.5366 -15.942 HAL2 9276 0 0 0 0.09 9281 9279 C9 SLES 1 11.9243 -13.2407 -16.6927 CTL2 9276 9280 9281 9282 -0.18 9282 9280 H91 SLES 1 11.1209 -13.852 -17.1631 HAL2 9279 0 0 0 0.09 9283 9281 H92 SLES 1 12.2333 -12.4592 -17.423 HAL2 9279 0 0 0 0.09 9284 9282 C10 SLES 1 11.3594 -12.5536 -15.427 CTL2 9279 9283 9284 9285 -0.18 9285 9283 H10 SLES 1 11.0286 -13.3353 -14.7058 HAL2 9282 0 0 0 0.09 9286 9284 H10 SLES 1 12.1682 -11.9599 -14.9439 HAL2 9282 0 0 0 0.09 9287 9285 C11 SLES 1 10.1631 -11.6171 -15.7431 CTL2 9282 9286 9287 9288 -0.18 9288 9286 H11 SLES 1 9.35429 -12.2168 -16.2198 HAL2 9285 0 0 0 0.09 9289 9287 H11 SLES 1 10.4939 -10.8482 -16.4782 HAL2 9285 0 0 0 0.09 9290 9288 C12 SLES 1 9.58444 -10.8998 -14.496 CTL3 9285 9289 9290 9291 -0.27 9291 9289 H12 SLES 1 8.51168 -11.1619 -14.3624 HAL3 9288 0 0 0 0.09 9292 9290 H12 SLES 1 9.66809 -9.7966 -14.6111 HAL3 9288 0 0 0 0.09 9293 9291 H12 SLES 1 10.1398 -11.2038 -13.5821 HAL3 9288 0 0 0 0.09 9294 9292 NA SLES 1 11.0616 -28.5226 -31.8776 NA 0 0 0 0 1 9295 9293 S SLES 1 10.9617 -30.0289 -28.5502 SL 9294 9295 9296 9297 1.33 9296 9294 OS1 SLES 1 10.7079 -28.4021 -28.861 OSL 9293 9298 0 0 -0.28 9297 9295 OS2 SLES 1 9.97382 -30.7515 -29.3245 O2L 9293 0 0 0 -0.65 9298 9296 OS3 SLES 1 12.2897 -30.3306 -29.0423 O2L 9293 0 0 0 -0.65 9299 9297 OS4 SLES 1 10.8583 -30.3978 -27.1475 O2L 9293 0 0 0 -0.65 9300 9298 C2 SLES 1 10.23 -27.7101 -27.6309 CC32A 9294 9299 9300 9301 -0.11 9301 9299 H2A SLES 1 9.30806 -28.2127 -27.2253 HCA2 9298 0 0 0 0.09 9302 9300 H2B SLES 1 11.0432 -27.7593 -26.8546 HCA2 9298 0 0 0 0.09 9303 9301 C1 SLES 1 9.9037 -26.1804 -27.9764 CC32A 9298 9302 9303 9304 -0.01 9304 9302 H1B SLES 1 9.16271 -26.1291 -28.8071 HCA2 9301 0 0 0 0.09 9305 9303 H1A SLES 1 10.8352 -25.6557 -28.2929 HCA2 9301 0 0 0 0.09 9306 9304 O1 SLES 1 9.31705 -25.2973 -26.9498 OC30A 9301 9305 0 0 -0.34 9307 9305 C2 SLES 1 9.43548 -25.7331 -25.5792 CC32A 9304 9306 9307 9308 -0.01 9308 9306 H2A SLES 1 8.88602 -26.6947 -25.6002 HCA2 9305 0 0 0 0.09 9309 9307 H2B SLES 1 10.5247 -25.9444 -25.4881 HCA2 9305 0 0 0 0.09 9310 9308 C1 SLES 1 8.96077 -24.8896 -24.3543 CC32A 9305 9309 9310 9311 -0.01 9311 9309 H1B SLES 1 7.90654 -25.144 -24.1096 HCA2 9308 0 0 0 0.09 9312 9310 H1A SLES 1 9.59616 -25.1276 -23.4778 HCA2 9308 0 0 0 0.09 9313 9311 O1 SLES 1 8.87079 -23.4286 -24.3715 OC30A 9308 9312 0 0 -0.34 9314 9312 C1 SLES 1 9.08441 -22.7755 -23.0669 CTL2 9311 9313 9314 9315 -0.18 9315 9313 H11 SLES 1 9.08401 -23.5712 -22.3001 HAL2 9312 0 0 0 0.09 9316 9314 H12 SLES 1 10.1197 -22.3933 -23.1825 HAL2 9312 0 0 0 0.09 9317 9315 C2 SLES 1 8.12795 -21.6024 -22.6141 CTL2 9312 9316 9317 9318 -0.18 9318 9316 H21 SLES 1 7.34522 -21.4499 -23.3905 HAL2 9315 0 0 0 0.09 9319 9317 H22 SLES 1 8.71934 -20.664 -22.5351 HAL2 9315 0 0 0 0.09 9320 9318 C3 SLES 1 7.4175 -21.8973 -21.2046 CTL2 9315 9319 9320 9321 -0.18 9321 9319 H31 SLES 1 6.35974 -22.1905 -21.3875 HAL2 9318 0 0 0 0.09 9322 9320 H32 SLES 1 7.92699 -22.7509 -20.7147 HAL2 9318 0 0 0 0.09 9323 9321 C4 SLES 1 7.44355 -20.6517 -20.2247 CTL2 9318 9322 9323 9324 -0.18 9324 9322 H41 SLES 1 6.44588 -20.1652 -20.2349 HAL2 9321 0 0 0 0.09 9325 9323 H42 SLES 1 8.1882 -19.9134 -20.5927 HAL2 9321 0 0 0 0.09 9326 9324 C5 SLES 1 7.81198 -21.0564 -18.7263 CTL2 9321 9325 9326 9327 -0.18 9327 9325 H51 SLES 1 7.65783 -22.1505 -18.5973 HAL2 9324 0 0 0 0.09 9328 9326 H52 SLES 1 8.88967 -20.8391 -18.5465 HAL2 9324 0 0 0 0.09 9329 9327 C6 SLES 1 6.94922 -20.2903 -17.6538 CTL2 9324 9328 9329 9330 -0.18 9330 9328 H61 SLES 1 5.91001 -20.6887 -17.6723 HAL2 9327 0 0 0 0.09 9331 9329 H62 SLES 1 7.37351 -20.4855 -16.6413 HAL2 9327 0 0 0 0.09 9332 9330 C7 SLES 1 6.908 -18.7487 -17.899 CTL2 9327 9331 9332 9333 -0.18 9333 9331 H71 SLES 1 6.14923 -18.526 -18.6816 HAL2 9330 0 0 0 0.09 9334 9332 H72 SLES 1 7.89964 -18.4136 -18.2768 HAL2 9330 0 0 0 0.09 9335 9333 C8 SLES 1 6.55941 -17.9499 -16.6184 CTL2 9330 9334 9335 9336 -0.18 9336 9334 H81 SLES 1 5.69004 -18.4311 -16.1144 HAL2 9333 0 0 0 0.09 9337 9335 H82 SLES 1 7.42592 -17.9865 -15.9196 HAL2 9333 0 0 0 0.09 9338 9336 C9 SLES 1 6.21421 -16.4699 -16.9198 CTL2 9333 9337 9338 9339 -0.18 9339 9337 H91 SLES 1 5.36686 -16.4344 -17.6417 HAL2 9336 0 0 0 0.09 9340 9338 H92 SLES 1 7.09344 -15.9824 -17.3981 HAL2 9336 0 0 0 0.09 9341 9339 C10 SLES 1 5.8272 -15.6774 -15.6488 CTL2 9336 9340 9341 9342 -0.18 9342 9340 H10 SLES 1 4.93324 -16.1512 -15.1829 HAL2 9339 0 0 0 0.09 9343 9341 H10 SLES 1 6.66532 -15.731 -14.9175 HAL2 9339 0 0 0 0.09 9344 9342 C11 SLES 1 5.51197 -14.1881 -15.9501 CTL2 9339 9343 9344 9345 -0.18 9345 9343 H11 SLES 1 4.66871 -14.1398 -16.6765 HAL2 9342 0 0 0 0.09 9346 9344 H11 SLES 1 6.40229 -13.7235 -16.4321 HAL2 9342 0 0 0 0.09 9347 9345 C12 SLES 1 5.13633 -13.362 -14.6927 CTL3 9342 9346 9347 9348 -0.27 9348 9346 H12 SLES 1 4.11658 -12.9317 -14.8034 HAL3 9345 0 0 0 0.09 9349 9347 H12 SLES 1 5.85883 -12.5288 -14.5476 HAL3 9345 0 0 0 0.09 9350 9348 H12 SLES 1 5.15239 -14.0067 -13.787 HAL3 9345 0 0 0 0.09 9351 9349 NA SLES 1 0.466923 -30.434 -32.0255 NA 0 0 0 0 1 9352 9350 S SLES 1 -1.40227 -31.4711 -29.0622 SL 9351 9352 9353 9354 1.33 9353 9351 OS1 SLES 1 -0.558285 -30.0296 -29.1926 OSL 9350 9355 0 0 -0.28 9354 9352 OS2 SLES 1 -2.36715 -31.4785 -30.1422 O2L 9350 0 0 0 -0.65 9355 9353 OS3 SLES 1 -0.430956 -32.5261 -29.2627 O2L 9350 0 0 0 -0.65 9356 9354 OS4 SLES 1 -2.08125 -31.659 -27.7902 O2L 9350 0 0 0 -0.65 9357 9355 C2 SLES 1 -0.854521 -29.1507 -28.0264 CC32A 9351 9356 9357 9358 -0.11 9358 9356 H2A SLES 1 -1.96335 -28.9848 -27.9257 HCA2 9355 0 0 0 0.09 9359 9357 H2B SLES 1 -0.475413 -29.6543 -27.0942 HCA2 9355 0 0 0 0.09 9360 9358 C1 SLES 1 -0.113225 -27.7442 -28.221 CC32A 9355 9359 9360 9361 -0.01 9361 9359 H1B SLES 1 -0.421142 -27.284 -29.188 HCA2 9358 0 0 0 0.09 9362 9360 H1A SLES 1 0.991393 -27.8954 -28.2307 HCA2 9358 0 0 0 0.09 9363 9361 O1 SLES 1 -0.324786 -26.6538 -27.2493 OC30A 9358 9362 0 0 -0.34 9364 9362 C2 SLES 1 -0.864913 -27.0295 -25.9649 CC32A 9361 9363 9364 9365 -0.01 9365 9363 H2A SLES 1 -1.84141 -27.4675 -26.2504 HCA2 9362 0 0 0 0.09 9366 9364 H2B SLES 1 -0.182447 -27.8503 -25.6487 HCA2 9362 0 0 0 0.09 9367 9365 C1 SLES 1 -1.06857 -26.0318 -24.7816 CC32A 9362 9366 9367 9368 -0.01 9368 9366 H1B SLES 1 -2.08895 -25.5932 -24.832 HCA2 9365 0 0 0 0.09 9369 9367 H1A SLES 1 -0.963085 -26.5761 -23.8217 HCA2 9365 0 0 0 0.09 9370 9368 O1 SLES 1 -0.277083 -24.8118 -24.6142 OC30A 9365 9369 0 0 -0.34 9371 9369 C1 SLES 1 -0.0888336 -24.3775 -23.2178 CTL2 9368 9370 9371 9372 -0.18 9372 9370 H11 SLES 1 -0.765007 -24.9882 -22.5925 HAL2 9369 0 0 0 0.09 9373 9371 H12 SLES 1 0.95654 -24.6985 -23.0297 HAL2 9369 0 0 0 0.09 9374 9372 C2 SLES 1 -0.255686 -22.8513 -22.8445 CTL2 9369 9373 9374 9375 -0.18 9375 9373 H21 SLES 1 -0.551034 -22.2835 -23.7551 HAL2 9372 0 0 0 0.09 9376 9374 H22 SLES 1 0.723411 -22.4552 -22.4966 HAL2 9372 0 0 0 0.09 9377 9375 C3 SLES 1 -1.35636 -22.6149 -21.6995 CTL2 9372 9376 9377 9378 -0.18 9378 9376 H31 SLES 1 -2.28506 -22.2188 -22.1674 HAL2 9375 0 0 0 0.09 9379 9377 H32 SLES 1 -1.60156 -23.5873 -21.2277 HAL2 9375 0 0 0 0.09 9380 9378 C4 SLES 1 -0.875433 -21.605 -20.5765 CTL2 9375 9379 9380 9381 -0.18 9381 9379 H41 SLES 1 -1.349 -20.617 -20.7546 HAL2 9378 0 0 0 0.09 9382 9380 H42 SLES 1 0.225808 -21.475 -20.65 HAL2 9378 0 0 0 0.09 9383 9381 C5 SLES 1 -1.24153 -22.1022 -19.1056 CTL2 9378 9382 9383 9384 -0.18 9384 9382 H51 SLES 1 -2.0351 -22.8789 -19.1718 HAL2 9381 0 0 0 0.09 9385 9383 H52 SLES 1 -0.341265 -22.5711 -18.6467 HAL2 9381 0 0 0 0.09 9386 9384 C6 SLES 1 -1.74488 -20.9378 -18.1717 CTL2 9381 9385 9386 9387 -0.18 9387 9385 H61 SLES 1 -2.76607 -20.6316 -18.4919 HAL2 9384 0 0 0 0.09 9388 9386 H62 SLES 1 -1.81268 -21.3166 -17.1251 HAL2 9384 0 0 0 0.09 9389 9387 C7 SLES 1 -0.806548 -19.69 -18.2007 CTL2 9384 9388 9389 9390 -0.18 9390 9388 H71 SLES 1 -1.04084 -19.0807 -19.1016 HAL2 9387 0 0 0 0.09 9391 9389 H72 SLES 1 0.249717 -20.0307 -18.2815 HAL2 9387 0 0 0 0.09 9392 9390 C8 SLES 1 -0.955396 -18.802 -16.9402 CTL2 9387 9391 9392 9393 -0.18 9393 9391 H81 SLES 1 -2.03849 -18.6474 -16.7294 HAL2 9390 0 0 0 0.09 9394 9392 H82 SLES 1 -0.50705 -19.3301 -16.068 HAL2 9390 0 0 0 0.09 9395 9393 C9 SLES 1 -0.269694 -17.4224 -17.1039 CTL2 9390 9394 9395 9396 -0.18 9396 9394 H91 SLES 1 -0.697812 -16.9074 -17.9937 HAL2 9393 0 0 0 0.09 9397 9395 H92 SLES 1 0.817585 -17.577 -17.2867 HAL2 9393 0 0 0 0.09 9398 9396 C10 SLES 1 -0.448934 -16.5166 -15.8625 CTL2 9393 9397 9398 9399 -0.18 9399 9397 H10 SLES 1 -1.53606 -16.3426 -15.6932 HAL2 9396 0 0 0 0.09 9400 9398 H10 SLES 1 -0.0410284 -17.0402 -14.9684 HAL2 9396 0 0 0 0.09 9401 9399 C11 SLES 1 0.265038 -15.1476 -16.0177 CTL2 9396 9400 9401 9402 -0.18 9402 9400 H11 SLES 1 -0.151186 -14.625 -16.9092 HAL2 9399 0 0 0 0.09 9403 9401 H11 SLES 1 1.34842 -15.3273 -16.2047 HAL2 9399 0 0 0 0.09 9404 9402 C12 SLES 1 0.117857 -14.2224 -14.7821 CTL3 9399 9403 9404 9405 -0.27 9405 9403 H12 SLES 1 -0.377914 -13.2691 -15.07 HAL3 9402 0 0 0 0.09 9406 9404 H12 SLES 1 1.11731 -13.987 -14.3543 HAL3 9402 0 0 0 0.09 9407 9405 H12 SLES 1 -0.495313 -14.718 -13.9982 HAL3 9402 0 0 0 0.09 9408 9406 NA SLES 1 -10.4467 -28.6734 -31.9497 NA 0 0 0 0 1 9409 9407 S SLES 1 -13.2034 -27.9914 -29.6507 SL 9408 9409 9410 9411 1.33 9410 9408 OS1 SLES 1 -11.6573 -27.3669 -29.4866 OSL 9407 9412 0 0 -0.28 9411 9409 OS2 SLES 1 -13.6792 -27.5673 -30.9512 O2L 9407 0 0 0 -0.65 9412 9410 OS3 SLES 1 -13.0608 -29.4321 -29.6245 O2L 9407 0 0 0 -0.65 9413 9411 OS4 SLES 1 -14.1371 -27.5678 -28.6195 O2L 9407 0 0 0 -0.65 9414 9412 C2 SLES 1 -11.6277 -26.3387 -28.4085 CC32A 9408 9413 9414 9415 -0.11 9415 9413 H2A SLES 1 -12.3906 -25.5347 -28.6054 HCA2 9412 0 0 0 0.09 9416 9414 H2B SLES 1 -11.8704 -26.8396 -27.4305 HCA2 9412 0 0 0 0.09 9417 9415 C1 SLES 1 -10.1652 -25.6894 -28.3354 CC32A 9412 9416 9417 9418 -0.01 9418 9416 H1B SLES 1 -9.88658 -25.27 -29.3295 HCA2 9415 0 0 0 0.09 9419 9417 H1A SLES 1 -9.41839 -26.4672 -28.0516 HCA2 9415 0 0 0 0.09 9420 9418 O1 SLES 1 -9.89623 -24.5697 -27.4125 OC30A 9415 9419 0 0 -0.34 9421 9419 C2 SLES 1 -10.8418 -24.3761 -26.3397 CC32A 9418 9420 9421 9422 -0.01 9422 9420 H2A SLES 1 -11.7787 -24.181 -26.8975 HCA2 9419 0 0 0 0.09 9423 9421 H2B SLES 1 -10.8997 -25.3906 -25.8851 HCA2 9419 0 0 0 0.09 9424 9422 C1 SLES 1 -10.674 -23.3064 -25.2151 CC32A 9419 9423 9424 9425 -0.01 9425 9423 H1B SLES 1 -11.168 -22.3588 -25.5219 HCA2 9422 0 0 0 0.09 9426 9424 H1A SLES 1 -11.1552 -23.6732 -24.2864 HCA2 9422 0 0 0 0.09 9427 9425 O1 SLES 1 -9.37375 -22.7868 -24.7882 OC30A 9422 9426 0 0 -0.34 9428 9426 C1 SLES 1 -9.30261 -22.3686 -23.3761 CTL2 9425 9427 9428 9429 -0.18 9429 9427 H11 SLES 1 -10.3357 -22.3681 -22.9839 HAL2 9426 0 0 0 0.09 9430 9428 H12 SLES 1 -8.75133 -23.2196 -22.9252 HAL2 9426 0 0 0 0.09 9431 9429 C2 SLES 1 -8.59142 -21.0094 -22.9982 CTL2 9426 9430 9431 9432 -0.18 9432 9430 H21 SLES 1 -8.25146 -20.5045 -23.93 HAL2 9429 0 0 0 0.09 9433 9431 H22 SLES 1 -7.69299 -21.2308 -22.3814 HAL2 9429 0 0 0 0.09 9434 9432 C3 SLES 1 -9.55606 -20.0155 -22.1856 CTL2 9429 9433 9434 9435 -0.18 9435 9433 H31 SLES 1 -9.90623 -19.2116 -22.8707 HAL2 9432 0 0 0 0.09 9436 9434 H32 SLES 1 -10.4457 -20.5784 -21.8394 HAL2 9432 0 0 0 0.09 9437 9435 C4 SLES 1 -8.84805 -19.3511 -20.9329 CTL2 9432 9436 9437 9438 -0.18 9438 9436 H41 SLES 1 -8.56362 -18.3096 -21.1909 HAL2 9435 0 0 0 0.09 9439 9437 H42 SLES 1 -7.91762 -19.9122 -20.6994 HAL2 9435 0 0 0 0.09 9440 9438 C5 SLES 1 -9.78042 -19.3324 -19.6386 CTL2 9435 9439 9440 9441 -0.18 9441 9439 H51 SLES 1 -10.8372 -19.4857 -19.9502 HAL2 9438 0 0 0 0.09 9442 9440 H52 SLES 1 -9.49382 -20.1783 -18.9729 HAL2 9438 0 0 0 0.09 9443 9441 C6 SLES 1 -9.67834 -17.9855 -18.8281 CTL2 9438 9442 9443 9444 -0.18 9444 9442 H61 SLES 1 -10.1887 -17.1783 -19.4 HAL2 9441 0 0 0 0.09 9445 9443 H62 SLES 1 -10.2111 -18.1067 -17.856 HAL2 9441 0 0 0 0.09 9446 9444 C7 SLES 1 -8.20288 -17.5573 -18.549 CTL2 9441 9445 9446 9447 -0.18 9447 9445 H71 SLES 1 -7.79383 -17.0545 -19.4532 HAL2 9444 0 0 0 0.09 9448 9446 H72 SLES 1 -7.59071 -18.466 -18.3546 HAL2 9444 0 0 0 0.09 9449 9447 C8 SLES 1 -8.07875 -16.597 -17.3399 CTL2 9444 9448 9449 9450 -0.18 9450 9448 H81 SLES 1 -8.8555 -15.8027 -17.4244 HAL2 9447 0 0 0 0.09 9451 9449 H82 SLES 1 -8.26954 -17.1664 -16.4018 HAL2 9447 0 0 0 0.09 9452 9450 C9 SLES 1 -6.68212 -15.9319 -17.2533 CTL2 9447 9451 9452 9453 -0.18 9453 9451 H91 SLES 1 -6.47977 -15.3873 -18.2034 HAL2 9450 0 0 0 0.09 9454 9452 H92 SLES 1 -5.90894 -16.7251 -17.1407 HAL2 9450 0 0 0 0.09 9455 9453 C10 SLES 1 -6.56561 -14.942 -16.0701 CTL2 9450 9454 9455 9456 -0.18 9456 9454 H10 SLES 1 -7.32367 -14.1355 -16.1948 HAL2 9453 0 0 0 0.09 9457 9455 H10 SLES 1 -6.78953 -15.4809 -15.1217 HAL2 9453 0 0 0 0.09 9458 9456 C11 SLES 1 -5.15607 -14.3011 -15.9682 CTL2 9453 9457 9458 9459 -0.18 9459 9457 H11 SLES 1 -4.93967 -13.7577 -16.9163 HAL2 9456 0 0 0 0.09 9460 9458 H11 SLES 1 -4.40005 -15.1123 -15.8617 HAL2 9456 0 0 0 0.09 9461 9459 C12 SLES 1 -5.00205 -13.3155 -14.781 CTL3 9456 9460 9461 9462 -0.27 9462 9460 H12 SLES 1 -4.72919 -12.303 -15.1521 HAL3 9459 0 0 0 0.09 9463 9461 H12 SLES 1 -4.20503 -13.6659 -14.0887 HAL3 9459 0 0 0 0.09 9464 9462 H12 SLES 1 -5.95562 -13.24 -14.2143 HAL3 9459 0 0 0 0.09 9465 9463 NA SLES 1 -20.4663 -22.9486 -31.7265 NA 0 0 0 0 1 9466 9464 S SLES 1 -22.5288 -20.2963 -30.2907 SL 9465 9466 9467 9468 1.33 9467 9465 OS1 SLES 1 -20.9889 -20.69 -29.7605 OSL 9464 9469 0 0 -0.28 9468 9466 OS2 SLES 1 -22.4046 -19.9634 -31.6947 O2L 9464 0 0 0 -0.65 9469 9467 OS3 SLES 1 -23.3262 -21.4951 -30.1378 O2L 9464 0 0 0 -0.65 9470 9468 OS4 SLES 1 -23.1497 -19.1942 -29.5735 O2L 9464 0 0 0 -0.65 9471 9469 C2 SLES 1 -20.5062 -19.6775 -28.7796 CC32A 9465 9470 9471 9472 -0.11 9472 9470 H2A SLES 1 -20.5503 -18.6434 -29.222 HCA2 9469 0 0 0 0.09 9473 9471 H2B SLES 1 -21.1706 -19.7142 -27.8721 HCA2 9469 0 0 0 0.09 9474 9472 C1 SLES 1 -18.9989 -20.022 -28.3608 CC32A 9469 9473 9474 9475 -0.01 9475 9473 H1B SLES 1 -18.3554 -20.0733 -29.2691 HCA2 9472 0 0 0 0.09 9476 9474 H1A SLES 1 -18.9654 -21.0077 -27.8406 HCA2 9472 0 0 0 0.09 9477 9475 O1 SLES 1 -18.2503 -19.1131 -27.4712 OC30A 9472 9476 0 0 -0.34 9478 9476 C2 SLES 1 -19.0313 -18.1739 -26.7028 CC32A 9475 9477 9478 9479 -0.01 9479 9477 H2A SLES 1 -19.5276 -17.5875 -27.5007 HCA2 9476 0 0 0 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0 0.09 9494 9492 C4 SLES 1 -15.2878 -14.2897 -21.2844 CTL2 9489 9493 9494 9495 -0.18 9495 9493 H41 SLES 1 -14.3757 -13.7034 -21.5219 HAL2 9492 0 0 0 0.09 9496 9494 H42 SLES 1 -14.9704 -15.2263 -20.7773 HAL2 9492 0 0 0 0.09 9497 9495 C5 SLES 1 -16.2058 -13.4469 -20.2885 CTL2 9492 9496 9497 9498 -0.18 9498 9496 H51 SLES 1 -17.0533 -13.0077 -20.8597 HAL2 9495 0 0 0 0.09 9499 9497 H52 SLES 1 -16.6302 -14.1318 -19.5192 HAL2 9495 0 0 0 0.09 9500 9498 C6 SLES 1 -15.423 -12.2868 -19.5656 CTL2 9495 9499 9500 9501 -0.18 9501 9499 H61 SLES 1 -15.2092 -11.4797 -20.3017 HAL2 9498 0 0 0 0.09 9502 9500 H62 SLES 1 -16.0696 -11.858 -18.7646 HAL2 9498 0 0 0 0.09 9503 9501 C7 SLES 1 -14.0793 -12.7667 -18.9313 CTL2 9498 9502 9503 9504 -0.18 9504 9502 H71 SLES 1 -13.2996 -12.8111 -19.7237 HAL2 9501 0 0 0 0.09 9505 9503 H72 SLES 1 -14.215 -13.7937 -18.5249 HAL2 9501 0 0 0 0.09 9506 9504 C8 SLES 1 -13.5893 -11.8349 -17.795 CTL2 9501 9505 9506 9507 -0.18 9507 9505 H81 SLES 1 -13.6692 -10.776 -18.1324 HAL2 9504 0 0 0 0.09 9508 9506 H82 SLES 1 -14.2503 -11.9642 -16.9079 HAL2 9504 0 0 0 0.09 9509 9507 C9 SLES 1 -12.1247 -12.1253 -17.3817 CTL2 9504 9508 9509 9510 -0.18 9510 9508 H91 SLES 1 -11.4683 -12.0247 -18.2758 HAL2 9507 0 0 0 0.09 9511 9509 H92 SLES 1 -12.0515 -13.1751 -17.0184 HAL2 9507 0 0 0 0.09 9512 9510 C10 SLES 1 -11.6176 -11.1715 -16.2742 CTL2 9507 9511 9512 9513 -0.18 9513 9511 H10 SLES 1 -11.6687 -10.1227 -16.646 HAL2 9510 0 0 0 0.09 9514 9512 H10 SLES 1 -12.2865 -11.2552 -15.3879 HAL2 9510 0 0 0 0.09 9515 9513 C11 SLES 1 -10.1608 -11.485 -15.8412 CTL2 9510 9514 9515 9516 -0.18 9516 9514 H11 SLES 1 -9.49486 -11.3932 -16.7296 HAL2 9513 0 0 0 0.09 9517 9515 H11 SLES 1 -10.111 -12.54 -15.4871 HAL2 9513 0 0 0 0.09 9518 9516 C12 SLES 1 -9.62855 -10.5559 -14.7196 CTL3 9513 9517 9518 9519 -0.27 9519 9517 H12 SLES 1 -8.72415 -10.0094 -15.0671 HAL3 9516 0 0 0 0.09 9520 9518 H12 SLES 1 -9.35876 -11.1516 -13.8198 HAL3 9516 0 0 0 0.09 9521 9519 H12 SLES 1 -10.4035 -9.81203 -14.4328 HAL3 9516 0 0 0 0.09 9522 9520 NA SLES 1 -27.9731 -13.4211 -31.4557 NA 0 0 0 0 1 9523 9521 S SLES 1 -27.9838 -9.80265 -30.9487 SL 9522 9523 9524 9525 1.33 9524 9522 OS1 SLES 1 -27.0874 -10.8839 -30.0351 OSL 9521 9526 0 0 -0.28 9525 9523 OS2 SLES 1 -27.5738 -9.99258 -32.3247 O2L 9521 0 0 0 -0.65 9526 9524 OS3 SLES 1 -29.3692 -10.1926 -30.7896 O2L 9521 0 0 0 -0.65 9527 9525 OS4 SLES 1 -27.8155 -8.40895 -30.5697 O2L 9521 0 0 0 -0.65 9528 9526 C2 SLES 1 -26.1459 -10.1498 -29.1435 CC32A 9522 9527 9528 9529 -0.11 9529 9527 H2A SLES 1 -25.4914 -9.45641 -29.7419 HCA2 9526 0 0 0 0.09 9530 9528 H2B SLES 1 -26.7473 -9.54222 -28.4118 HCA2 9526 0 0 0 0.09 9531 9529 C1 SLES 1 -25.2352 -11.2034 -28.3521 CC32A 9526 9530 9531 9532 -0.01 9532 9530 H1B SLES 1 -24.7056 -11.8653 -29.0755 HCA2 9529 0 0 0 0.09 9533 9531 H1A SLES 1 -25.8727 -11.8334 -27.689 HCA2 9529 0 0 0 0.09 9534 9532 O1 SLES 1 -24.148 -10.7308 -27.4732 OC30A 9529 9533 0 0 -0.34 9535 9533 C2 SLES 1 -24.2098 -9.35111 -27.0548 CC32A 9532 9534 9535 9536 -0.01 9536 9534 H2A SLES 1 -24.1612 -8.81894 -28.025 HCA2 9533 0 0 0 0.09 9537 9535 H2B SLES 1 -25.2444 -9.26894 -26.652 HCA2 9533 0 0 0 0.09 9538 9536 C1 SLES 1 -23.2043 -8.70008 -26.0536 CC32A 9533 9537 9538 9539 -0.01 9539 9537 H1B SLES 1 -22.3505 -8.25914 -26.6129 HCA2 9536 0 0 0 0.09 9540 9538 H1A SLES 1 -23.7168 -7.89255 -25.4934 HCA2 9536 0 0 0 0.09 9541 9539 O1 SLES 1 -22.475 -9.46163 -25.0383 OC30A 9536 9540 0 0 -0.34 9542 9540 C1 SLES 1 -22.1448 -8.71046 -23.8132 CTL2 9539 9541 9542 9543 -0.18 9543 9541 H11 SLES 1 -22.3677 -7.64672 -24.0131 HAL2 9540 0 0 0 0.09 9544 9542 H12 SLES 1 -22.9025 -9.10578 -23.1054 HAL2 9540 0 0 0 0.09 9545 9543 C2 SLES 1 -20.7026 -8.84024 -23.1814 CTL2 9540 9544 9545 9546 -0.18 9546 9544 H21 SLES 1 -20.0817 -9.50433 -23.8235 HAL2 9543 0 0 0 0.09 9547 9545 H22 SLES 1 -20.7883 -9.31521 -22.1795 HAL2 9543 0 0 0 0.09 9548 9546 C3 SLES 1 -19.9673 -7.42077 -23.03 CTL2 9543 9547 9548 9549 -0.18 9549 9547 H31 SLES 1 -19.2017 -7.32314 -23.8317 HAL2 9546 0 0 0 0.09 9550 9548 H32 SLES 1 -20.7114 -6.61159 -23.1703 HAL2 9546 0 0 0 0.09 9551 9549 C4 SLES 1 -19.2637 -7.23414 -21.622 CTL2 9546 9550 9551 9552 -0.18 9552 9550 H41 SLES 1 -18.1724 -7.39866 -21.7407 HAL2 9549 0 0 0 0.09 9553 9551 H42 SLES 1 -19.6507 -8.00043 -20.9163 HAL2 9549 0 0 0 0.09 9554 9552 C5 SLES 1 -19.509 -5.78584 -20.9999 CTL2 9549 9553 9554 9555 -0.18 9555 9553 H51 SLES 1 -19.8407 -5.09549 -21.8067 HAL2 9552 0 0 0 0.09 9556 9554 H52 SLES 1 -20.3265 -5.84873 -20.2458 HAL2 9552 0 0 0 0.09 9557 9555 C6 SLES 1 -18.2239 -5.18716 -20.3133 CTL2 9552 9556 9557 9558 -0.18 9558 9556 H61 SLES 1 -17.4932 -4.89703 -21.1014 HAL2 9555 0 0 0 0.09 9559 9557 H62 SLES 1 -18.5084 -4.26576 -19.7534 HAL2 9555 0 0 0 0.09 9560 9558 C7 SLES 1 -17.5407 -6.18902 -19.3295 CTL2 9555 9559 9560 9561 -0.18 9561 9559 H71 SLES 1 -16.9106 -6.89692 -19.9122 HAL2 9558 0 0 0 0.09 9562 9560 H72 SLES 1 -18.3264 -6.77877 -18.8068 HAL2 9558 0 0 0 0.09 9563 9561 C8 SLES 1 -16.6562 -5.47961 -18.2741 CTL2 9558 9562 9563 9564 -0.18 9564 9562 H81 SLES 1 -16.0213 -4.71862 -18.7832 HAL2 9561 0 0 0 0.09 9565 9563 H82 SLES 1 -17.3122 -4.94945 -17.5466 HAL2 9561 0 0 0 0.09 9566 9564 C9 SLES 1 -15.7436 -6.46821 -17.5059 CTL2 9561 9565 9566 9567 -0.18 9567 9565 H91 SLES 1 -15.1089 -7.01915 -18.2367 HAL2 9564 0 0 0 0.09 9568 9566 H92 SLES 1 -16.3798 -7.21153 -16.9748 HAL2 9564 0 0 0 0.09 9569 9567 C10 SLES 1 -14.8298 -5.75997 -16.4779 CTL2 9564 9568 9569 9570 -0.18 9570 9568 H10 SLES 1 -14.1766 -5.03285 -17.0122 HAL2 9567 0 0 0 0.09 9571 9569 H10 SLES 1 -15.4628 -5.19081 -15.76 HAL2 9567 0 0 0 0.09 9572 9570 C11 SLES 1 -13.9393 -6.75617 -15.6889 CTL2 9567 9571 9572 9573 -0.18 9573 9571 H11 SLES 1 -13.3032 -7.31802 -16.4106 HAL2 9570 0 0 0 0.09 9574 9572 H11 SLES 1 -14.5962 -7.49189 -15.171 HAL2 9570 0 0 0 0.09 9575 9573 C12 SLES 1 -13.0228 -6.07799 -14.6378 CTL3 9570 9574 9575 9576 -0.27 9576 9574 H12 SLES 1 -11.9546 -6.29686 -14.8577 HAL3 9573 0 0 0 0.09 9577 9575 H12 SLES 1 -13.2592 -6.4549 -13.6183 HAL3 9573 0 0 0 0.09 9578 9576 H12 SLES 1 -13.1686 -4.97585 -14.6507 HAL3 9573 0 0 0 0.09 9579 9577 NA SLES 1 -31.2176 -1.12014 -31.2456 NA 0 0 0 0 1 9580 9578 S SLES 1 -28.9197 1.69999 -31.5876 SL 9579 9580 9581 9582 1.33 9581 9579 OS1 SLES 1 -28.8785 0.592219 -30.3312 OSL 9578 9583 0 0 -0.28 9582 9580 OS2 SLES 1 -28.7699 0.937246 -32.8096 O2L 9578 0 0 0 -0.65 9583 9581 OS3 SLES 1 -30.2328 2.30865 -31.545 O2L 9578 0 0 0 -0.65 9584 9582 OS4 SLES 1 -27.8949 2.72919 -31.5174 O2L 9578 0 0 0 -0.65 9585 9583 C2 SLES 1 -27.6549 0.793994 -29.505 CC32A 9579 9584 9585 9586 -0.11 9586 9584 H2A SLES 1 -26.7305 0.742799 -30.1454 HCA2 9583 0 0 0 0.09 9587 9585 H2B SLES 1 -27.7107 1.81091 -29.0265 HCA2 9583 0 0 0 0.09 9588 9586 C1 SLES 1 -27.5894 -0.334919 -28.3706 CC32A 9583 9587 9588 9589 -0.01 9589 9587 H1B SLES 1 -27.6232 -1.34548 -28.839 HCA2 9586 0 0 0 0.09 9590 9588 H1A SLES 1 -28.4584 -0.229842 -27.6799 HCA2 9586 0 0 0 0.09 9591 9589 O1 SLES 1 -26.4189 -0.419926 -27.4757 OC30A 9586 9590 0 0 -0.34 9592 9590 C2 SLES 1 -25.5797 0.751495 -27.3977 CC32A 9589 9591 9592 9593 -0.01 9593 9591 H2A SLES 1 -25.2389 0.854888 -28.4465 HCA2 9590 0 0 0 0.09 9594 9592 H2B SLES 1 -26.3144 1.55853 -27.1781 HCA2 9590 0 0 0 0.09 9595 9593 C1 SLES 1 -24.3553 0.881705 -26.4379 CC32A 9590 9594 9595 9596 -0.01 9596 9594 H1B SLES 1 -23.4351 0.531297 -26.9541 HCA2 9593 0 0 0 0.09 9597 9595 H1A SLES 1 -24.2218 1.9457 -26.1574 HCA2 9593 0 0 0 0.09 9598 9596 O1 SLES 1 -24.2377 0.140895 -25.1808 OC30A 9593 9597 0 0 -0.34 9599 9597 C1 SLES 1 -23.465 0.821917 -24.1258 CTL2 9596 9598 9599 9600 -0.18 9600 9598 H11 SLES 1 -22.9715 1.69285 -24.5939 HAL2 9597 0 0 0 0.09 9601 9599 H12 SLES 1 -24.2769 1.18669 -23.4632 HAL2 9597 0 0 0 0.09 9602 9600 C2 SLES 1 -22.4093 0.00589798 -23.2797 CTL2 9597 9601 9602 9603 -0.18 9603 9601 H21 SLES 1 -22.371 -1.04079 -23.6563 HAL2 9600 0 0 0 0.09 9604 9602 H22 SLES 1 -22.7415 -0.0237913 -22.2189 HAL2 9600 0 0 0 0.09 9605 9603 C3 SLES 1 -20.9373 0.643318 -23.3529 CTL2 9600 9604 9605 9606 -0.18 9606 9604 H31 SLES 1 -20.3108 0.028202 -24.0366 HAL2 9603 0 0 0 0.09 9607 9605 H32 SLES 1 -21.0061 1.66341 -23.7806 HAL2 9603 0 0 0 0.09 9608 9606 C4 SLES 1 -20.2264 0.725398 -21.9387 CTL2 9603 9607 9608 9609 -0.18 9609 9607 H41 SLES 1 -19.4901 -0.101307 -21.8578 HAL2 9606 0 0 0 0.09 9610 9608 H42 SLES 1 -20.9862 0.586495 -21.1397 HAL2 9606 0 0 0 0.09 9611 9609 C5 SLES 1 -19.4786 2.11531 -21.7067 CTL2 9606 9610 9611 9612 -0.18 9612 9610 H51 SLES 1 -19.3264 2.61417 -22.6892 HAL2 9609 0 0 0 0.09 9613 9611 H52 SLES 1 -20.125 2.77542 -21.0843 HAL2 9609 0 0 0 0.09 9614 9612 C6 SLES 1 -18.0819 1.94993 -20.9973 CTL2 9609 9613 9614 9615 -0.18 9615 9613 H61 SLES 1 -17.3602 1.50244 -21.717 HAL2 9612 0 0 0 0.09 9616 9614 H62 SLES 1 -17.7 2.95752 -20.7103 HAL2 9612 0 0 0 0.09 9617 9615 C7 SLES 1 -18.1531 1.05132 -19.7223 CTL2 9612 9616 9617 9618 -0.18 9618 9616 H71 SLES 1 -18.1333 -0.0175758 -20.0303 HAL2 9615 0 0 0 0.09 9619 9617 H72 SLES 1 -19.1161 1.23984 -19.1975 HAL2 9615 0 0 0 0.09 9620 9618 C8 SLES 1 -16.9836 1.31395 -18.741 CTL2 9615 9619 9620 9621 -0.18 9621 9619 H81 SLES 1 -16.0285 1.34878 -19.3138 HAL2 9618 0 0 0 0.09 9622 9620 H82 SLES 1 -17.1308 2.30611 -18.2567 HAL2 9618 0 0 0 0.09 9623 9621 C9 SLES 1 -16.8763 0.225704 -17.6435 CTL2 9618 9622 9623 9624 -0.18 9624 9622 H91 SLES 1 -16.7588 -0.769565 -18.1293 HAL2 9621 0 0 0 0.09 9625 9623 H92 SLES 1 -17.8205 0.210704 -17.0539 HAL2 9621 0 0 0 0.09 9626 9624 C10 SLES 1 -15.6858 0.462078 -16.6842 CTL2 9621 9625 9626 9627 -0.18 9627 9625 H10 SLES 1 -14.7389 0.453842 -17.2707 HAL2 9624 0 0 0 0.09 9628 9626 H10 SLES 1 -15.791 1.46638 -16.2148 HAL2 9624 0 0 0 0.09 9629 9627 C11 SLES 1 -15.5997 -0.61252 -15.568 CTL2 9624 9628 9629 9630 -0.18 9630 9628 H11 SLES 1 -15.4878 -1.61429 -16.0424 HAL2 9627 0 0 0 0.09 9631 9629 H11 SLES 1 -16.5555 -0.612774 -14.9959 HAL2 9627 0 0 0 0.09 9632 9630 C12 SLES 1 -14.4254 -0.393847 -14.5792 CTL3 9627 9631 9632 9633 -0.27 9633 9631 H12 SLES 1 -13.7449 -1.2737 -14.5867 HAL3 9630 0 0 0 0.09 9634 9632 H12 SLES 1 -14.8116 -0.253306 -13.5455 HAL3 9630 0 0 0 0.09 9635 9633 H12 SLES 1 -13.8415 0.508123 -14.865 HAL3 9630 0 0 0 0.09 9636 9634 NA SLES 1 -28.9337 11.902 -31.1972 NA 0 0 0 0 1 9637 9635 S SLES 1 -25.4506 12.4196 -32.172 SL 9636 9637 9638 9639 1.33 9638 9636 OS1 SLES 1 -25.9409 11.8727 -30.666 OSL 9635 9640 0 0 -0.28 9639 9637 OS2 SLES 1 -25.9807 11.4815 -33.1396 O2L 9635 0 0 0 -0.65 9640 9638 OS3 SLES 1 -26.0711 13.7155 -32.3516 O2L 9635 0 0 0 -0.65 9641 9639 OS4 SLES 1 -24.0098 12.5346 -32.3316 O2L 9635 0 0 0 -0.65 9642 9640 C2 SLES 1 -24.7625 11.4295 -29.869 CC32A 9636 9641 9642 9643 -0.11 9643 9641 H2A SLES 1 -24.1729 10.6522 -30.4305 HCA2 9640 0 0 0 0.09 9644 9642 H2B SLES 1 -24.1028 12.3215 -29.6806 HCA2 9640 0 0 0 0.09 9645 9643 C1 SLES 1 -25.2641 10.8233 -28.4737 CC32A 9640 9644 9645 9646 -0.01 9646 9644 H1B SLES 1 -25.9872 9.99572 -28.658 HCA2 9643 0 0 0 0.09 9647 9645 H1A SLES 1 -25.7706 11.6163 -27.8755 HCA2 9643 0 0 0 0.09 9648 9646 O1 SLES 1 -24.2967 10.2198 -27.5368 OC30A 9643 9647 0 0 -0.34 9649 9647 C2 SLES 1 -22.9083 10.5596 -27.7349 CC32A 9646 9648 9649 9650 -0.01 9650 9648 H2A SLES 1 -22.7255 10.1742 -28.7571 HCA2 9647 0 0 0 0.09 9651 9649 H2B SLES 1 -22.9364 11.672 -27.7707 HCA2 9647 0 0 0 0.09 9652 9650 C1 SLES 1 -21.7558 10.0945 -26.7901 CC32A 9647 9651 9652 9653 -0.01 9653 9651 H1B SLES 1 -21.3398 9.12936 -27.1528 HCA2 9650 0 0 0 0.09 9654 9652 H1A SLES 1 -20.9484 10.8539 -26.7964 HCA2 9650 0 0 0 0.09 9655 9653 O1 SLES 1 -21.9575 9.76782 -25.3775 OC30A 9650 9654 0 0 -0.34 9656 9654 C1 SLES 1 -20.7935 10.0173 -24.5075 CTL2 9653 9655 9656 9657 -0.18 9657 9655 H11 SLES 1 -19.9333 10.2313 -25.1674 HAL2 9654 0 0 0 0.09 9658 9656 H12 SLES 1 -21.0973 10.9576 -24.0027 HAL2 9654 0 0 0 0.09 9659 9657 C2 SLES 1 -20.3788 8.94016 -23.4286 CTL2 9654 9658 9659 9660 -0.18 9660 9658 H21 SLES 1 -21.0567 8.06129 -23.5116 HAL2 9657 0 0 0 0.09 9661 9659 H22 SLES 1 -20.5072 9.3769 -22.414 HAL2 9657 0 0 0 0.09 9662 9660 C3 SLES 1 -18.86 8.44877 -23.6022 CTL2 9657 9661 9662 9663 -0.18 9663 9661 H31 SLES 1 -18.8581 7.43871 -24.0691 HAL2 9660 0 0 0 0.09 9664 9662 H32 SLES 1 -18.3323 9.14122 -24.288 HAL2 9660 0 0 0 0.09 9665 9663 C4 SLES 1 -18.0694 8.38213 -22.23 CTL2 9660 9664 9665 9666 -0.18 9666 9664 H41 SLES 1 -18.0112 7.32405 -21.8995 HAL2 9663 0 0 0 0.09 9667 9665 H42 SLES 1 -18.6301 8.95161 -21.4578 HAL2 9663 0 0 0 0.09 9668 9666 C5 SLES 1 -16.5932 8.97626 -22.342 CTL2 9663 9667 9668 9669 -0.18 9669 9667 H51 SLES 1 -16.2984 9.01665 -23.4138 HAL2 9666 0 0 0 0.09 9670 9668 H52 SLES 1 -16.5905 10.0178 -21.9469 HAL2 9666 0 0 0 0.09 9671 9669 C6 SLES 1 -15.5279 8.12613 -21.5521 CTL2 9666 9670 9671 9672 -0.18 9672 9670 H61 SLES 1 -15.353 7.16966 -22.094 HAL2 9669 0 0 0 0.09 9673 9671 H62 SLES 1 -14.5644 8.68684 -21.5261 HAL2 9669 0 0 0 0.09 9674 9672 C7 SLES 1 -15.971 7.80877 -20.0888 CTL2 9669 9673 9674 9675 -0.18 9675 9673 H71 SLES 1 -16.6675 6.94135 -20.1007 HAL2 9672 0 0 0 0.09 9676 9674 H72 SLES 1 -16.52 8.6846 -19.6767 HAL2 9672 0 0 0 0.09 9677 9675 C8 SLES 1 -14.7747 7.48072 -19.161 CTL2 9672 9676 9677 9678 -0.18 9678 9676 H81 SLES 1 -14.0984 6.76253 -19.6789 HAL2 9675 0 0 0 0.09 9679 9677 H82 SLES 1 -14.1998 8.4143 -18.9646 HAL2 9675 0 0 0 0.09 9680 9678 C9 SLES 1 -15.2238 6.86901 -17.8103 CTL2 9675 9679 9680 9681 -0.18 9681 9679 H91 SLES 1 -15.8237 5.95183 -18.0086 HAL2 9678 0 0 0 0.09 9682 9680 H92 SLES 1 -15.8771 7.59871 -17.2808 HAL2 9678 0 0 0 0.09 9683 9681 C10 SLES 1 -14.0309 6.50324 -16.8956 CTL2 9678 9682 9683 9684 -0.18 9684 9682 H10 SLES 1 -13.3898 5.7555 -17.4157 HAL2 9681 0 0 0 0.09 9685 9683 H10 SLES 1 -13.4182 7.41535 -16.7149 HAL2 9681 0 0 0 0.09 9686 9684 C11 SLES 1 -14.4852 5.91943 -15.5315 CTL2 9681 9685 9686 9687 -0.18 9687 9685 H11 SLES 1 -15.0918 5.00367 -15.7174 HAL2 9684 0 0 0 0.09 9688 9686 H11 SLES 1 -15.1405 6.66329 -15.0234 HAL2 9684 0 0 0 0.09 9689 9687 C12 SLES 1 -13.3118 5.55785 -14.5845 CTL3 9684 9688 9689 9690 -0.27 9690 9688 H12 SLES 1 -13.3418 4.47599 -14.3276 HAL3 9687 0 0 0 0.09 9691 9689 H12 SLES 1 -13.3786 6.14756 -13.6437 HAL3 9687 0 0 0 0.09 9692 9690 H12 SLES 1 -12.3378 5.77914 -15.0729 HAL3 9687 0 0 0 0.09 9693 9691 NA SLES 1 -21.0299 22.9063 -31.3868 NA 0 0 0 0 1 9694 9692 S SLES 1 -18.3053 20.8401 -32.6744 SL 9693 9694 9695 9696 1.33 9695 9693 OS1 SLES 1 -18.6882 20.9974 -31.0508 OSL 9692 9697 0 0 -0.28 9696 9694 OS2 SLES 1 -19.499 20.3467 -33.3295 O2L 9692 0 0 0 -0.65 9697 9695 OS3 SLES 1 -18 22.1741 -33.1474 O2L 9692 0 0 0 -0.65 9698 9696 OS4 SLES 1 -17.1875 19.9508 -32.9465 O2L 9692 0 0 0 -0.65 9699 9697 C2 SLES 1 -17.9085 20.0206 -30.2396 CC32A 9693 9698 9699 9700 -0.11 9700 9698 H2A SLES 1 -18.0737 18.972 -30.6141 HCA2 9697 0 0 0 0.09 9701 9699 H2B SLES 1 -16.8155 20.2722 -30.3311 HCA2 9697 0 0 0 0.09 9702 9700 C1 SLES 1 -18.3609 20.1243 -28.7065 CC32A 9697 9701 9702 9703 -0.01 9703 9701 H1B SLES 1 -19.4604 19.9624 -28.6239 HCA2 9700 0 0 0 0.09 9704 9702 H1A SLES 1 -18.1156 21.1355 -28.3059 HCA2 9700 0 0 0 0.09 9705 9703 O1 SLES 1 -17.8092 19.1905 -27.7058 OC30A 9700 9704 0 0 -0.34 9706 9704 C2 SLES 1 -16.5985 18.495 -28.0704 CC32A 9703 9705 9706 9707 -0.01 9707 9705 H2A SLES 1 -16.9239 17.9302 -28.9659 HCA2 9704 0 0 0 0.09 9708 9706 H2B SLES 1 -15.9323 19.3265 -28.3932 HCA2 9704 0 0 0 0.09 9709 9707 C1 SLES 1 -15.8198 17.5423 -27.1094 CC32A 9704 9708 9709 9710 -0.01 9710 9708 H1B SLES 1 -16.1895 16.501 -27.2327 HCA2 9707 0 0 0 0.09 9711 9709 H1A SLES 1 -14.7411 17.5685 -27.3631 HCA2 9707 0 0 0 0.09 9712 9710 O1 SLES 1 -15.8689 17.6569 -25.6509 OC30A 9707 9711 0 0 -0.34 9713 9711 C1 SLES 1 -14.6514 17.2108 -24.9492 CTL2 9710 9712 9713 9714 -0.18 9714 9712 H11 SLES 1 -14.0155 16.6981 -25.6935 HAL2 9711 0 0 0 0.09 9715 9713 H12 SLES 1 -14.1822 18.1822 -24.6894 HAL2 9711 0 0 0 0.09 9716 9714 C2 SLES 1 -14.7794 16.3147 -23.6542 CTL2 9711 9715 9716 9717 -0.18 9717 9715 H21 SLES 1 -15.8549 16.1013 -23.4635 HAL2 9714 0 0 0 0.09 9718 9716 H22 SLES 1 -14.3827 16.8802 -22.7828 HAL2 9714 0 0 0 0.09 9719 9717 C3 SLES 1 -13.9848 14.9256 -23.7864 CTL2 9714 9718 9719 9720 -0.18 9720 9718 H31 SLES 1 -14.7159 14.1076 -23.973 HAL2 9717 0 0 0 0.09 9721 9719 H32 SLES 1 -13.3051 14.9798 -24.6601 HAL2 9717 0 0 0 0.09 9722 9720 C4 SLES 1 -13.136 14.5717 -22.4955 CTL2 9717 9721 9722 9723 -0.18 9723 9721 H41 SLES 1 -13.6818 13.8067 -21.9047 HAL2 9720 0 0 0 0.09 9724 9722 H42 SLES 1 -13.0332 15.4815 -21.8656 HAL2 9720 0 0 0 0.09 9725 9723 C5 SLES 1 -11.6818 14.0192 -22.8488 CTL2 9720 9724 9725 9726 -0.18 9726 9724 H51 SLES 1 -11.6679 13.6862 -23.9101 HAL2 9723 0 0 0 0.09 9727 9725 H52 SLES 1 -10.9433 14.8461 -22.74 HAL2 9723 0 0 0 0.09 9728 9726 C6 SLES 1 -11.2427 12.8162 -21.9315 CTL2 9723 9727 9728 9729 -0.18 9729 9727 H61 SLES 1 -11.8266 11.9119 -22.2149 HAL2 9726 0 0 0 0.09 9730 9728 H62 SLES 1 -10.1641 12.5985 -22.1117 HAL2 9726 0 0 0 0.09 9731 9729 C7 SLES 1 -11.456 13.1046 -20.4117 CTL2 9726 9730 9731 9732 -0.18 9732 9730 H71 SLES 1 -12.523 12.9231 -20.1543 HAL2 9729 0 0 0 0.09 9733 9731 H72 SLES 1 -11.2312 14.1755 -20.2094 HAL2 9729 0 0 0 0.09 9734 9732 C8 SLES 1 -10.5625 12.2213 -19.5056 CTL2 9729 9733 9734 9735 -0.18 9735 9733 H81 SLES 1 -10.6163 11.166 -19.8587 HAL2 9732 0 0 0 0.09 9736 9734 H82 SLES 1 -9.50543 12.5607 -19.5951 HAL2 9732 0 0 0 0.09 9737 9735 C9 SLES 1 -10.9887 12.2794 -18.0172 CTL2 9732 9736 9737 9738 -0.18 9738 9736 H91 SLES 1 -12.0547 11.9682 -17.9323 HAL2 9735 0 0 0 0.09 9739 9737 H92 SLES 1 -10.9079 13.3298 -17.6573 HAL2 9735 0 0 0 0.09 9740 9738 C10 SLES 1 -10.1242 11.3685 -17.1137 CTL2 9735 9739 9740 9741 -0.18 9741 9739 H10 SLES 1 -10.2233 10.3142 -17.4591 HAL2 9738 0 0 0 0.09 9742 9740 H10 SLES 1 -9.0555 11.6647 -17.215 HAL2 9738 0 0 0 0.09 9743 9741 C11 SLES 1 -10.5339 11.4526 -15.6194 CTL2 9738 9742 9743 9744 -0.18 9744 9742 H11 SLES 1 -11.6014 11.1489 -15.5224 HAL2 9741 0 0 0 0.09 9745 9743 H11 SLES 1 -10.4504 12.5115 -15.2836 HAL2 9741 0 0 0 0.09 9746 9744 C12 SLES 1 -9.67432 10.5627 -14.6846 CTL3 9741 9745 9746 9747 -0.27 9747 9745 H12 SLES 1 -10.3171 9.82669 -14.1531 HAL3 9744 0 0 0 0.09 9748 9746 H12 SLES 1 -9.15194 11.1886 -13.9279 HAL3 9744 0 0 0 0.09 9749 9747 H12 SLES 1 -8.91148 10.0073 -15.2726 HAL3 9744 0 0 0 0.09 9750 9748 NA SLES 1 -8.96027 29.278 -31.8527 NA 0 0 0 0 1 9751 9749 S SLES 1 -8.62233 25.853 -33.08 SL 9750 9751 9752 9753 1.33 9752 9750 OS1 SLES 1 -8.37845 26.3168 -31.4885 OSL 9749 9754 0 0 -0.28 9753 9751 OS2 SLES 1 -9.97489 26.246 -33.4171 O2L 9749 0 0 0 -0.65 9754 9752 OS3 SLES 1 -7.67725 26.6137 -33.8705 O2L 9749 0 0 0 -0.65 9755 9753 OS4 SLES 1 -8.44328 24.4314 -33.3277 O2L 9749 0 0 0 -0.65 9756 9754 C2 SLES 1 -8.2189 25.1166 -30.6199 CC32A 9750 9755 9756 9757 -0.11 9757 9755 H2A SLES 1 -9.10169 24.4268 -30.7295 HCA2 9754 0 0 0 0.09 9758 9756 H2B SLES 1 -7.28748 24.5692 -30.9346 HCA2 9754 0 0 0 0.09 9759 9757 C1 SLES 1 -8.08319 25.5818 -29.0931 CC32A 9754 9758 9759 9760 -0.01 9760 9758 H1B SLES 1 -8.96476 26.1997 -28.8053 HCA2 9757 0 0 0 0.09 9761 9759 H1A SLES 1 -7.15901 26.1918 -28.9629 HCA2 9757 0 0 0 0.09 9762 9760 O1 SLES 1 -8.01306 24.5764 -28.015 OC30A 9757 9761 0 0 -0.34 9763 9761 C2 SLES 1 -7.66759 23.2315 -28.4082 CC32A 9760 9762 9763 9764 -0.01 9764 9762 H2A SLES 1 -8.49591 22.9787 -29.0987 HCA2 9761 0 0 0 0.09 9765 9763 H2B SLES 1 -6.73942 23.3866 -29.003 HCA2 9761 0 0 0 0.09 9766 9764 C1 SLES 1 -7.45454 22.0585 -27.4002 CC32A 9761 9765 9766 9767 -0.01 9767 9765 H1B SLES 1 -8.41608 21.5248 -27.2371 HCA2 9764 0 0 0 0.09 9768 9766 H1A SLES 1 -6.71867 21.344 -27.8205 HCA2 9764 0 0 0 0.09 9769 9767 O1 SLES 1 -7.03768 22.2585 -26.0113 OC30A 9764 9768 0 0 -0.34 9770 9768 C1 SLES 1 -6.25138 21.1543 -25.4313 CTL2 9767 9769 9770 9771 -0.18 9771 9769 H11 SLES 1 -6.30748 20.3074 -26.1389 HAL2 9768 0 0 0 0.09 9772 9770 H12 SLES 1 -5.22615 21.5776 -25.4635 HAL2 9768 0 0 0 0.09 9773 9771 C2 SLES 1 -6.57549 20.647 -23.9705 CTL2 9768 9772 9773 9774 -0.18 9774 9772 H21 SLES 1 -7.4442 21.2168 -23.5711 HAL2 9771 0 0 0 0.09 9775 9773 H22 SLES 1 -5.70112 20.8515 -23.3146 HAL2 9771 0 0 0 0.09 9776 9774 C3 SLES 1 -6.91239 19.0777 -23.925 CTL2 9771 9775 9776 9777 -0.18 9777 9775 H31 SLES 1 -8.0119 18.9472 -23.8138 HAL2 9774 0 0 0 0.09 9778 9776 H32 SLES 1 -6.6107 18.6153 -24.8859 HAL2 9774 0 0 0 0.09 9779 9777 C4 SLES 1 -6.18252 18.3212 -22.7387 CTL2 9774 9778 9779 9780 -0.18 9780 9778 H41 SLES 1 -6.91111 18.1503 -21.9189 HAL2 9777 0 0 0 0.09 9781 9779 H42 SLES 1 -5.36671 18.9639 -22.3432 HAL2 9777 0 0 0 0.09 9782 9780 C5 SLES 1 -5.56625 16.9208 -23.19 CTL2 9777 9781 9782 9783 -0.18 9783 9781 H51 SLES 1 -6.04373 16.6044 -24.1436 HAL2 9780 0 0 0 0.09 9784 9782 H52 SLES 1 -4.4759 17.0484 -23.3792 HAL2 9780 0 0 0 0.09 9785 9783 C6 SLES 1 -5.77045 15.7859 -22.1168 CTL2 9780 9784 9785 9786 -0.18 9786 9784 H61 SLES 1 -6.84283 15.4877 -22.1036 HAL2 9783 0 0 0 0.09 9787 9785 H62 SLES 1 -5.17017 14.8944 -22.4139 HAL2 9783 0 0 0 0.09 9788 9786 C7 SLES 1 -5.34701 16.2279 -20.6803 CTL2 9783 9787 9788 9789 -0.18 9789 9787 H71 SLES 1 -6.17188 16.8194 -20.2248 HAL2 9786 0 0 0 0.09 9790 9788 H72 SLES 1 -4.45153 16.8848 -20.7508 HAL2 9786 0 0 0 0.09 9791 9789 C8 SLES 1 -5.02062 15.0268 -19.7582 CTL2 9786 9790 9791 9792 -0.18 9792 9790 H81 SLES 1 -5.821 14.2588 -19.8634 HAL2 9789 0 0 0 0.09 9793 9791 H82 SLES 1 -4.05913 14.5686 -20.0841 HAL2 9789 0 0 0 0.09 9794 9792 C9 SLES 1 -4.90639 15.438 -18.2688 CTL2 9789 9793 9794 9795 -0.18 9795 9793 H91 SLES 1 -5.85766 15.9228 -17.952 HAL2 9792 0 0 0 0.09 9796 9794 H92 SLES 1 -4.08769 16.1846 -18.1603 HAL2 9792 0 0 0 0.09 9797 9795 C10 SLES 1 -4.61927 14.2355 -17.3388 CTL2 9792 9796 9797 9798 -0.18 9798 9796 H10 SLES 1 -5.44999 13.499 -17.4297 HAL2 9795 0 0 0 0.09 9799 9797 H10 SLES 1 -3.67983 13.7368 -17.6687 HAL2 9795 0 0 0 0.09 9800 9798 C11 SLES 1 -4.47501 14.6554 -15.8519 CTL2 9795 9799 9800 9801 -0.18 9801 9799 H11 SLES 1 -5.41949 15.1474 -15.5249 HAL2 9798 0 0 0 0.09 9802 9800 H11 SLES 1 -3.65529 15.4051 -15.7689 HAL2 9798 0 0 0 0.09 9803 9801 C12 SLES 1 -4.17006 13.4735 -14.8955 CTL3 9798 9802 9803 9804 -0.27 9804 9802 H12 SLES 1 -4.96629 13.3855 -14.1237 HAL3 9801 0 0 0 0.09 9805 9803 H12 SLES 1 -3.1957 13.6326 -14.383 HAL3 9801 0 0 0 0.09 9806 9804 H12 SLES 1 -4.12002 12.519 -15.4633 HAL3 9801 0 0 0 0.09 9807 9805 NA SLES 1 4.52506 29.4899 -32.5876 NA 0 0 0 0 1 9808 9806 S SLES 1 2.2063 26.7823 -33.3894 SL 9807 9808 9809 9810 1.33 9809 9807 OS1 SLES 1 3.09573 26.8786 -31.9727 OSL 9806 9811 0 0 -0.28 9810 9808 OS2 SLES 1 1.41496 27.9934 -33.4578 O2L 9806 0 0 0 -0.65 9811 9809 OS3 SLES 1 3.17028 26.7625 -34.4696 O2L 9806 0 0 0 -0.65 9812 9810 OS4 SLES 1 1.33925 25.6184 -33.4787 O2L 9806 0 0 0 -0.65 9813 9811 C2 SLES 1 2.64929 25.8318 -31.0108 CC32A 9807 9812 9813 9814 -0.11 9814 9812 H2A SLES 1 1.54239 25.9119 -30.8223 HCA2 9811 0 0 0 0.09 9815 9813 H2B SLES 1 2.87128 24.8216 -31.4539 HCA2 9811 0 0 0 0.09 9816 9814 C1 SLES 1 3.44603 26.0047 -29.632 CC32A 9811 9815 9816 9817 -0.01 9817 9815 H1B SLES 1 3.29858 27.0357 -29.2357 HCA2 9814 0 0 0 0.09 9818 9816 H1A SLES 1 4.53545 25.8366 -29.7995 HCA2 9814 0 0 0 0.09 9819 9817 O1 SLES 1 3.11779 25.151 -28.4738 OC30A 9814 9818 0 0 -0.34 9820 9818 C2 SLES 1 2.38146 23.9414 -28.7517 CC32A 9817 9819 9820 9821 -0.01 9821 9819 H2A SLES 1 1.44848 24.3421 -29.1942 HCA2 9818 0 0 0 0.09 9822 9820 H2B SLES 1 2.98806 23.4714 -29.5582 HCA2 9818 0 0 0 0.09 9823 9821 C1 SLES 1 2.0269 22.8716 -27.6713 CC32A 9818 9822 9823 9824 -0.01 9824 9822 H1B SLES 1 1.0369 23.1054 -27.2227 HCA2 9821 0 0 0 0.09 9825 9823 H1A SLES 1 1.97329 21.8729 -28.1491 HCA2 9821 0 0 0 0.09 9826 9824 O1 SLES 1 2.81417 22.6675 -26.4542 OC30A 9821 9825 0 0 -0.34 9827 9825 C1 SLES 1 2.80093 21.2907 -25.9268 CTL2 9824 9826 9827 9828 -0.18 9828 9826 H11 SLES 1 2.02348 20.7361 -26.4828 HAL2 9825 0 0 0 0.09 9829 9827 H12 SLES 1 3.79784 20.9252 -26.249 HAL2 9825 0 0 0 0.09 9830 9828 C2 SLES 1 2.61768 21.0493 -24.3762 CTL2 9825 9829 9830 9831 -0.18 9831 9829 H21 SLES 1 2.47682 22.0298 -23.8687 HAL2 9828 0 0 0 0.09 9832 9830 H22 SLES 1 3.54281 20.5839 -23.971 HAL2 9828 0 0 0 0.09 9833 9831 C3 SLES 1 1.36349 20.1029 -24.0449 CTL2 9828 9832 9833 9834 -0.18 9834 9832 H31 SLES 1 0.525835 20.7315 -23.6689 HAL2 9831 0 0 0 0.09 9835 9833 H32 SLES 1 1.0261 19.6102 -24.9786 HAL2 9831 0 0 0 0.09 9836 9834 C4 SLES 1 1.69488 18.9895 -22.9666 CTL2 9831 9835 9836 9837 -0.18 9837 9835 H41 SLES 1 1.2781 19.3026 -21.9866 HAL2 9834 0 0 0 0.09 9838 9836 H42 SLES 1 2.79752 18.9034 -22.8579 HAL2 9834 0 0 0 0.09 9839 9837 C5 SLES 1 1.09949 17.5614 -23.3551 CTL2 9834 9838 9839 9840 -0.18 9840 9838 H51 SLES 1 0.305927 17.6956 -24.123 HAL2 9837 0 0 0 0.09 9841 9839 H52 SLES 1 1.90859 16.9411 -23.8039 HAL2 9837 0 0 0 0.09 9842 9840 C6 SLES 1 0.490388 16.7942 -22.1215 CTL2 9837 9841 9842 9843 -0.18 9843 9841 H61 SLES 1 -0.463122 17.2852 -21.8236 HAL2 9840 0 0 0 0.09 9844 9842 H62 SLES 1 0.256568 15.7472 -22.4258 HAL2 9840 0 0 0 0.09 9845 9843 C7 SLES 1 1.45301 16.7633 -20.8924 CTL2 9840 9844 9845 9846 -0.18 9846 9844 H71 SLES 1 1.37207 17.7278 -20.3438 HAL2 9843 0 0 0 0.09 9847 9845 H72 SLES 1 2.50066 16.6601 -21.2531 HAL2 9843 0 0 0 0.09 9848 9846 C8 SLES 1 1.13829 15.6018 -19.917 CTL2 9843 9847 9848 9849 -0.18 9849 9847 H81 SLES 1 0.0399792 15.5685 -19.7325 HAL2 9846 0 0 0 0.09 9850 9848 H82 SLES 1 1.43712 14.6385 -20.3897 HAL2 9846 0 0 0 0.09 9851 9849 C9 SLES 1 1.87477 15.7508 -18.5621 CTL2 9846 9850 9851 9852 -0.18 9852 9850 H91 SLES 1 1.59826 16.7276 -18.104 HAL2 9849 0 0 0 0.09 9853 9851 H92 SLES 1 2.973 15.7558 -18.7447 HAL2 9849 0 0 0 0.09 9854 9852 C10 SLES 1 1.53333 14.614 -17.5699 CTL2 9849 9853 9854 9855 -0.18 9855 9853 H10 SLES 1 0.437752 14.6236 -17.3689 HAL2 9852 0 0 0 0.09 9856 9854 H10 SLES 1 1.789 13.6355 -18.0359 HAL2 9852 0 0 0 0.09 9857 9855 C11 SLES 1 2.29621 14.7497 -16.2254 CTL2 9852 9856 9857 9858 -0.18 9858 9856 H11 SLES 1 2.03189 15.7267 -15.76 HAL2 9855 0 0 0 0.09 9859 9857 H11 SLES 1 3.3906 14.7577 -16.4332 HAL2 9855 0 0 0 0.09 9860 9858 C12 SLES 1 1.9878 13.615 -15.2145 CTL3 9855 9859 9860 9861 -0.27 9861 9859 H12 SLES 1 1.56473 14.0374 -14.2765 HAL3 9858 0 0 0 0.09 9862 9860 H12 SLES 1 2.91704 13.057 -14.9645 HAL3 9858 0 0 0 0.09 9863 9861 H12 SLES 1 1.2516 12.902 -15.6456 HAL3 9858 0 0 0 0.09 9864 9862 NA SLES 1 16.2486 23.7347 -33.537 NA 0 0 0 0 1 9865 9863 S SLES 1 12.6108 23.4033 -33.6194 SL 9864 9865 9866 9867 1.33 9866 9864 OS1 SLES 1 13.6032 22.6659 -32.4885 OSL 9863 9868 0 0 -0.28 9867 9865 OS2 SLES 1 12.8607 24.8261 -33.516 O2L 9863 0 0 0 -0.65 9868 9866 OS3 SLES 1 13.0458 22.9199 -34.9131 O2L 9863 0 0 0 -0.65 9869 9867 OS4 SLES 1 11.1926 23.1354 -33.4424 O2L 9863 0 0 0 -0.65 9870 9868 C2 SLES 1 12.7839 22.0426 -31.4113 CC32A 9864 9869 9870 9871 -0.11 9871 9869 H2A SLES 1 12.0995 22.8034 -30.9422 HCA2 9868 0 0 0 0.09 9872 9870 H2B SLES 1 12.1607 21.223 -31.8654 HCA2 9868 0 0 0 0.09 9873 9871 C1 SLES 1 13.7549 21.4286 -30.2951 CC32A 9868 9872 9873 9874 -0.01 9874 9872 H1B SLES 1 14.4346 22.2215 -29.9062 HCA2 9871 0 0 0 0.09 9875 9873 H1A SLES 1 14.3717 20.6114 -30.7365 HCA2 9871 0 0 0 0.09 9876 9874 O1 SLES 1 13.1915 20.8384 -29.0654 OC30A 9871 9875 0 0 -0.34 9877 9875 C2 SLES 1 11.7941 20.4799 -29.1031 CC32A 9874 9876 9877 9878 -0.01 9878 9876 H2A SLES 1 11.3153 21.4595 -29.2983 HCA2 9875 0 0 0 0.09 9879 9877 H2B SLES 1 11.7306 19.8595 -30.0253 HCA2 9875 0 0 0 0.09 9880 9878 C1 SLES 1 11.049 19.7606 -27.9349 CC32A 9875 9879 9880 9881 -0.01 9881 9879 H1B SLES 1 10.6065 20.5166 -27.2503 HCA2 9878 0 0 0 0.09 9882 9880 H1A SLES 1 10.2325 19.137 -28.3507 HCA2 9878 0 0 0 0.09 9883 9881 O1 SLES 1 11.7234 18.9012 -26.9605 OC30A 9878 9882 0 0 -0.34 9884 9882 C1 SLES 1 10.8927 17.8169 -26.4054 CTL2 9881 9883 9884 9885 -0.18 9885 9883 H11 SLES 1 9.85138 18.0098 -26.721 HAL2 9882 0 0 0 0.09 9886 9884 H12 SLES 1 11.2776 16.9399 -26.9658 HAL2 9882 0 0 0 0.09 9887 9885 C2 SLES 1 10.9299 17.5194 -24.8541 CTL2 9882 9886 9887 9888 -0.18 9888 9886 H21 SLES 1 11.6037 18.2536 -24.3583 HAL2 9885 0 0 0 0.09 9889 9887 H22 SLES 1 11.3513 16.5034 -24.6909 HAL2 9885 0 0 0 0.09 9890 9888 C3 SLES 1 9.47624 17.6016 -24.177 CTL2 9885 9889 9890 9891 -0.18 9891 9889 H31 SLES 1 9.39322 18.5582 -23.6145 HAL2 9888 0 0 0 0.09 9892 9890 H32 SLES 1 8.7062 17.608 -24.974 HAL2 9888 0 0 0 0.09 9893 9891 C4 SLES 1 9.18377 16.3973 -23.1889 CTL2 9888 9892 9893 9894 -0.18 9894 9892 H41 SLES 1 9.31135 16.7502 -22.1442 HAL2 9891 0 0 0 0.09 9895 9893 H42 SLES 1 9.92426 15.5887 -23.3699 HAL2 9891 0 0 0 0.09 9896 9894 C5 SLES 1 7.7139 15.8025 -23.3634 CTL2 9891 9895 9896 9897 -0.18 9897 9895 H51 SLES 1 7.08323 16.5448 -23.9007 HAL2 9894 0 0 0 0.09 9898 9896 H52 SLES 1 7.76698 14.8822 -23.9888 HAL2 9894 0 0 0 0.09 9899 9897 C6 SLES 1 7.02754 15.4497 -21.9901 CTL2 9894 9898 9899 9900 -0.18 9900 9898 H61 SLES 1 6.75309 16.394 -21.4685 HAL2 9897 0 0 0 0.09 9901 9899 H62 SLES 1 6.08835 14.8827 -22.1899 HAL2 9897 0 0 0 0.09 9902 9900 C7 SLES 1 7.94523 14.5997 -21.0554 CTL2 9897 9901 9902 9903 -0.18 9903 9901 H71 SLES 1 8.65901 15.2761 -20.5351 HAL2 9900 0 0 0 0.09 9904 9902 H72 SLES 1 8.53556 13.8878 -21.6744 HAL2 9900 0 0 0 0.09 9905 9903 C8 SLES 1 7.14369 13.803 -19.996 CTL2 9900 9904 9905 9906 -0.18 9906 9904 H81 SLES 1 6.38773 14.4756 -19.5296 HAL2 9903 0 0 0 0.09 9907 9905 H82 SLES 1 6.60019 12.9718 -20.5003 HAL2 9903 0 0 0 0.09 9908 9906 C9 SLES 1 8.05109 13.2151 -18.8864 CTL2 9903 9907 9908 9909 -0.18 9909 9907 H91 SLES 1 8.61634 14.0437 -18.4026 HAL2 9906 0 0 0 0.09 9910 9908 H92 SLES 1 8.78825 12.5215 -19.3501 HAL2 9906 0 0 0 0.09 9911 9909 C10 SLES 1 7.25109 12.4515 -17.8045 CTL2 9906 9910 9911 9912 -0.18 9912 9910 H10 SLES 1 6.52959 13.1512 -17.3242 HAL2 9909 0 0 0 0.09 9913 9911 H10 SLES 1 6.6683 11.6366 -18.2906 HAL2 9909 0 0 0 0.09 9914 9912 C11 SLES 1 8.16577 11.8379 -16.7115 CTL2 9909 9913 9914 9915 -0.18 9915 9913 H11 SLES 1 8.74136 12.6576 -16.2237 HAL2 9912 0 0 0 0.09 9916 9914 H11 SLES 1 8.89692 11.153 -17.1986 HAL2 9912 0 0 0 0.09 9917 9915 C12 SLES 1 7.39437 11.0512 -15.6203 CTL3 9912 9916 9917 9918 -0.27 9918 9916 H12 SLES 1 7.58273 11.495 -14.6179 HAL3 9915 0 0 0 0.09 9919 9917 H12 SLES 1 7.72296 9.98859 -15.6049 HAL3 9915 0 0 0 0.09 9920 9918 H12 SLES 1 6.30129 11.0812 -15.8214 HAL3 9915 0 0 0 0.09 9921 9919 NA SLES 1 23.7215 13.847 -34.6069 NA 0 0 0 0 1 9922 9920 S SLES 1 20.9112 16.0385 -33.8009 SL 9921 9922 9923 9924 1.33 9923 9921 OS1 SLES 1 21.2429 14.5965 -33.0148 OSL 9920 9925 0 0 -0.28 9924 9922 OS2 SLES 1 22.0917 16.8645 -33.6541 O2L 9920 0 0 0 -0.65 9925 9923 OS3 SLES 1 20.7165 15.7015 -35.1956 O2L 9920 0 0 0 -0.65 9926 9924 OS4 SLES 1 19.7457 16.7461 -33.2956 O2L 9920 0 0 0 -0.65 9927 9925 C2 SLES 1 20.3677 14.4478 -31.818 CC32A 9921 9926 9927 9928 -0.11 9928 9926 H2A SLES 1 20.4742 15.3366 -31.1354 HCA2 9925 0 0 0 0.09 9929 9927 H2B SLES 1 19.2989 14.3796 -32.1633 HCA2 9925 0 0 0 0.09 9930 9928 C1 SLES 1 20.7684 13.1113 -31.0313 CC32A 9925 9929 9930 9931 -0.01 9931 9929 H1B SLES 1 21.8502 13.1379 -30.7652 HCA2 9928 0 0 0 0.09 9932 9930 H1A SLES 1 20.5785 12.2207 -31.6747 HCA2 9928 0 0 0 0.09 9933 9931 O1 SLES 1 20.1165 12.782 -29.7489 OC30A 9928 9932 0 0 -0.34 9934 9932 C2 SLES 1 18.8752 13.4603 -29.463 CC32A 9931 9933 9934 9935 -0.01 9935 9933 H2A SLES 1 19.1943 14.5209 -29.456 HCA2 9932 0 0 0 0.09 9936 9934 H2B SLES 1 18.2806 13.2706 -30.3848 HCA2 9932 0 0 0 0.09 9937 9935 C1 SLES 1 17.9973 13.1732 -28.2044 CC32A 9932 9936 9937 9938 -0.01 9938 9936 H1B SLES 1 18.2986 13.849 -27.3747 HCA2 9935 0 0 0 0.09 9939 9937 H1A SLES 1 16.9332 13.3641 -28.4492 HCA2 9935 0 0 0 0.09 9940 9938 O1 SLES 1 17.9994 11.8904 -27.4991 OC30A 9935 9939 0 0 -0.34 9941 9939 C1 SLES 1 16.7285 11.5399 -26.8388 CTL2 9938 9940 9941 9942 -0.18 9942 9940 H11 SLES 1 16.0872 12.4394 -26.8678 HAL2 9939 0 0 0 0.09 9943 9941 H12 SLES 1 16.3181 10.7875 -27.5436 HAL2 9939 0 0 0 0.09 9944 9942 C2 SLES 1 16.7458 10.9482 -25.374 CTL2 9939 9943 9944 9945 -0.18 9945 9943 H21 SLES 1 17.7962 10.9124 -25.0076 HAL2 9942 0 0 0 0.09 9946 9944 H22 SLES 1 16.3567 9.90678 -25.4003 HAL2 9942 0 0 0 0.09 9947 9945 C3 SLES 1 15.8629 11.8146 -24.3501 CTL2 9942 9946 9947 9948 -0.18 9948 9946 H31 SLES 1 16.5423 12.4234 -23.7129 HAL2 9945 0 0 0 0.09 9949 9947 H32 SLES 1 15.2218 12.5114 -24.9259 HAL2 9945 0 0 0 0.09 9950 9948 C4 SLES 1 14.9439 10.9229 -23.416 CTL2 9945 9949 9950 9951 -0.18 9951 9949 H41 SLES 1 15.4131 10.8512 -22.4126 HAL2 9948 0 0 0 0.09 9952 9950 H42 SLES 1 14.8805 9.89695 -23.8384 HAL2 9948 0 0 0 0.09 9953 9951 C5 SLES 1 13.4693 11.5118 -23.2621 CTL2 9948 9952 9953 9954 -0.18 9954 9952 H51 SLES 1 13.4723 12.5821 -23.5655 HAL2 9951 0 0 0 0.09 9955 9953 H52 SLES 1 12.786 10.9631 -23.9499 HAL2 9951 0 0 0 0.09 9956 9954 C6 SLES 1 12.9142 11.4005 -21.7921 CTL2 9951 9955 9956 9957 -0.18 9957 9955 H61 SLES 1 13.4446 12.1366 -21.1473 HAL2 9954 0 0 0 0.09 9958 9956 H62 SLES 1 11.8306 11.6636 -21.7934 HAL2 9954 0 0 0 0.09 9959 9957 C7 SLES 1 13.0897 9.97242 -21.1854 CTL2 9954 9958 9959 9960 -0.18 9960 9958 H71 SLES 1 14.1313 9.8633 -20.8099 HAL2 9957 0 0 0 0.09 9961 9959 H72 SLES 1 12.9318 9.21515 -21.9853 HAL2 9957 0 0 0 0.09 9962 9960 C8 SLES 1 12.1041 9.69241 -20.0236 CTL2 9957 9961 9962 9963 -0.18 9963 9961 H81 SLES 1 12.0982 10.5663 -19.3324 HAL2 9960 0 0 0 0.09 9964 9962 H82 SLES 1 11.077 9.57461 -20.4381 HAL2 9960 0 0 0 0.09 9965 9963 C9 SLES 1 12.4772 8.41812 -19.2252 CTL2 9960 9964 9965 9966 -0.18 9966 9964 H91 SLES 1 13.5152 8.52437 -18.836 HAL2 9963 0 0 0 0.09 9967 9965 H92 SLES 1 12.4555 7.54115 -19.9108 HAL2 9963 0 0 0 0.09 9968 9966 C10 SLES 1 11.5186 8.15562 -18.0396 CTL2 9963 9967 9968 9969 -0.18 9969 9967 H10 SLES 1 11.5577 9.02277 -17.3415 HAL2 9966 0 0 0 0.09 9970 9968 H10 SLES 1 10.4775 8.0713 -18.4255 HAL2 9966 0 0 0 0.09 9971 9969 C11 SLES 1 11.8768 6.862 -17.261 CTL2 9966 9970 9971 9972 -0.18 9972 9970 H11 SLES 1 12.9164 6.95409 -16.8713 HAL2 9969 0 0 0 0.09 9973 9971 H11 SLES 1 11.854 6.00055 -17.967 HAL2 9969 0 0 0 0.09 9974 9972 C12 SLES 1 10.9235 6.56189 -16.0754 CTL3 9969 9973 9974 9975 -0.27 9975 9973 H12 SLES 1 11.4936 6.52448 -15.121 HAL3 9972 0 0 0 0.09 9976 9974 H12 SLES 1 10.4175 5.58257 -16.2247 HAL3 9972 0 0 0 0.09 9977 9975 H12 SLES 1 10.1468 7.35314 -15.9934 HAL3 9972 0 0 0 0.09 9978 9976 NA SLES 1 25.939 2.50803 -35.6786 NA 0 0 0 0 1 9979 9977 S SLES 1 25.4988 5.7097 -33.9739 SL 9978 9979 9980 9981 1.33 9980 9978 OS1 SLES 1 24.7351 4.28668 -33.5275 OSL 9977 9982 0 0 -0.28 9981 9979 OS2 SLES 1 26.9214 5.4435 -33.9214 O2L 9977 0 0 0 -0.65 9982 9980 OS3 SLES 1 25.0969 5.97103 -35.3402 O2L 9977 0 0 0 -0.65 9983 9981 OS4 SLES 1 25.1778 6.85421 -33.1363 O2L 9977 0 0 0 -0.65 9984 9982 C2 SLES 1 24.0314 4.46473 -32.2262 CC32A 9978 9983 9984 9985 -0.11 9985 9983 H2A SLES 1 24.7451 4.82853 -31.4354 HCA2 9982 0 0 0 0.09 9986 9984 H2B SLES 1 23.2174 5.22969 -32.3621 HCA2 9982 0 0 0 0.09 9987 9985 C1 SLES 1 23.391 3.06768 -31.7746 CC32A 9982 9986 9987 9988 -0.01 9988 9986 H1B SLES 1 24.1835 2.28584 -31.7249 HCA2 9985 0 0 0 0.09 9989 9987 H1A SLES 1 22.6175 2.74883 -32.5116 HCA2 9985 0 0 0 0.09 9990 9988 O1 SLES 1 22.7205 2.94805 -30.4654 OC30A 9985 9989 0 0 -0.34 9991 9989 C2 SLES 1 22.3209 4.18054 -29.8298 CC32A 9988 9990 9991 9992 -0.01 9992 9990 H2A SLES 1 23.2938 4.69471 -29.7035 HCA2 9989 0 0 0 0.09 9993 9991 H2B SLES 1 21.7475 4.69102 -30.636 HCA2 9989 0 0 0 0.09 9994 9992 C1 SLES 1 21.519 4.24896 -28.4921 CC32A 9989 9993 9994 9995 -0.01 9995 9993 H1B SLES 1 22.2242 4.29596 -27.634 HCA2 9992 0 0 0 0.09 9996 9994 H1A SLES 1 20.8925 5.16337 -28.4874 HCA2 9992 0 0 0 0.09 9997 9995 O1 SLES 1 20.6317 3.17952 -28.0319 OC30A 9992 9996 0 0 -0.34 9998 9996 C1 SLES 1 19.4946 3.62515 -27.2058 CTL2 9995 9997 9998 9999 -0.18 9999 9997 H11 SLES 1 19.671 4.68654 -26.9538 HAL2 9996 0 0 0 0.09 10000 9998 H12 SLES 1 18.6603 3.56656 -27.9351 HAL2 9996 0 0 0 0.09 10001 9999 C2 SLES 1 19.1184 2.82486 -25.8965 CTL2 9996 10000 10001 10002 -0.18 10002 10000 H21 SLES 1 19.8466 1.99514 -25.7546 HAL2 9999 0 0 0 0.09 10003 10001 H22 SLES 1 18.109 2.37634 -26.0245 HAL2 9999 0 0 0 0.09 10004 10002 C3 SLES 1 19.1199 3.75324 -24.5863 CTL2 9999 10003 10004 10005 -0.18 10005 10003 H31 SLES 1 20.0429 3.54857 -23.9995 HAL2 10002 0 0 0 0.09 10006 10004 H32 SLES 1 19.1435 4.81676 -24.8971 HAL2 10002 0 0 0 0.09 10007 10005 C4 SLES 1 17.8574 3.51669 -23.6577 CTL2 10002 10006 10007 10008 -0.18 10008 10006 H41 SLES 1 18.1594 2.8895 -22.793 HAL2 10005 0 0 0 0.09 10009 10007 H42 SLES 1 17.0827 2.96152 -24.2293 HAL2 10005 0 0 0 0.09 10010 10008 C5 SLES 1 17.2267 4.8795 -23.1193 CTL2 10005 10009 10010 10011 -0.18 10011 10009 H51 SLES 1 17.9758 5.69453 -23.229 HAL2 10008 0 0 0 0.09 10012 10010 H52 SLES 1 16.3422 5.1414 -23.7438 HAL2 10008 0 0 0 0.09 10013 10011 C6 SLES 1 16.7818 4.79602 -21.6105 CTL2 10008 10012 10013 10014 -0.18 10014 10012 H61 SLES 1 17.6887 4.77788 -20.9653 HAL2 10011 0 0 0 0.09 10015 10013 H62 SLES 1 16.1969 5.71018 -21.3544 HAL2 10011 0 0 0 0.09 10016 10014 C7 SLES 1 15.9136 3.53478 -21.3043 CTL2 10011 10015 10016 10017 -0.18 10017 10015 H71 SLES 1 16.5841 2.65807 -21.1643 HAL2 10014 0 0 0 0.09 10018 10016 H72 SLES 1 15.2536 3.3269 -22.1758 HAL2 10014 0 0 0 0.09 10019 10017 C8 SLES 1 15.0384 3.70599 -20.0377 CTL2 10014 10018 10019 10020 -0.18 10020 10018 H81 SLES 1 15.6619 4.13322 -19.2191 HAL2 10017 0 0 0 0.09 10021 10019 H82 SLES 1 14.2178 4.42653 -20.2571 HAL2 10017 0 0 0 0.09 10022 10020 C9 SLES 1 14.4223 2.36755 -19.5588 CTL2 10017 10021 10022 10023 -0.18 10023 10021 H91 SLES 1 15.2421 1.6382 -19.368 HAL2 10020 0 0 0 0.09 10024 10022 H92 SLES 1 13.7771 1.9553 -20.367 HAL2 10020 0 0 0 0.09 10025 10023 C10 SLES 1 13.5791 2.52635 -18.2715 CTL2 10020 10024 10025 10026 -0.18 10026 10024 H10 SLES 1 14.23 2.9168 -17.4562 HAL2 10023 0 0 0 0.09 10027 10025 H10 SLES 1 12.7726 3.27206 -18.4547 HAL2 10023 0 0 0 0.09 10028 10026 C11 SLES 1 12.9385 1.18973 -17.8121 CTL2 10023 10027 10028 10029 -0.18 10029 10027 H11 SLES 1 13.7494 0.449449 -17.6235 HAL2 10026 0 0 0 0.09 10030 10028 H11 SLES 1 12.303 0.794299 -18.6371 HAL2 10026 0 0 0 0.09 10031 10029 C12 SLES 1 12.0725 1.31907 -16.5323 CTL3 10026 10030 10031 10032 -0.27 10032 10030 H12 SLES 1 12.4694 0.660093 -15.7288 HAL3 10029 0 0 0 0.09 10033 10031 H12 SLES 1 11.0213 1.02428 -16.7455 HAL3 10029 0 0 0 0.09 10034 10032 H12 SLES 1 12.0786 2.36849 -16.1651 HAL3 10029 0 0 0 0.09 10035 10033 NA SLES 1 23.4278 -7.84268 -36.6294 NA 0 0 0 0 1 10036 10034 S SLES 1 25.2022 -5.79203 -34.1806 SL 10035 10036 10037 10038 1.33 10037 10035 OS1 SLES 1 23.6229 -6.32312 -34.004 OSL 10034 10039 0 0 -0.28 10038 10036 OS2 SLES 1 26.0162 -6.97869 -34.344 O2L 10034 0 0 0 -0.65 10039 10037 OS3 SLES 1 25.2291 -5.00546 -35.396 O2L 10034 0 0 0 -0.65 10040 10038 OS4 SLES 1 25.6996 -4.99965 -33.0674 O2L 10034 0 0 0 -0.65 10041 10039 C2 SLES 1 23.1288 -6.02524 -32.6302 CC32A 10035 10040 10041 10042 -0.11 10042 10040 H2A SLES 1 23.8144 -6.47043 -31.8563 HCA2 10039 0 0 0 0.09 10043 10041 H2B SLES 1 23.1024 -4.9085 -32.4944 HCA2 10039 0 0 0 0.09 10044 10042 C1 SLES 1 21.6543 -6.62634 -32.4555 CC32A 10039 10043 10044 10045 -0.01 10045 10043 H1B SLES 1 21.6616 -7.71859 -32.6762 HCA2 10042 0 0 0 0.09 10046 10044 H1A SLES 1 20.9529 -6.12206 -33.1603 HCA2 10042 0 0 0 0.09 10047 10045 O1 SLES 1 20.9741 -6.55386 -31.1478 OC30A 10042 10046 0 0 -0.34 10048 10046 C2 SLES 1 21.4965 -5.59854 -30.2006 CC32A 10045 10047 10048 10049 -0.01 10049 10047 H2A SLES 1 22.5329 -5.96347 -30.0607 HCA2 10046 0 0 0 0.09 10050 10048 H2B SLES 1 21.5244 -4.6595 -30.7979 HCA2 10046 0 0 0 0.09 10051 10049 C1 SLES 1 20.8526 -5.3145 -28.8071 CC32A 10046 10050 10051 10052 -0.01 10052 10050 H1B SLES 1 21.3038 -5.98318 -28.042 HCA2 10049 0 0 0 0.09 10053 10051 H1A SLES 1 21.0505 -4.26231 -28.5201 HCA2 10049 0 0 0 0.09 10054 10052 O1 SLES 1 19.4325 -5.52459 -28.5205 OC30A 10049 10053 0 0 -0.34 10055 10053 C1 SLES 1 18.8641 -4.62889 -27.4965 CTL2 10052 10054 10055 10056 -0.18 10056 10054 H11 SLES 1 19.7094 -4.09895 -27.0214 HAL2 10053 0 0 0 0.09 10057 10055 H12 SLES 1 18.3015 -3.9089 -28.1261 HAL2 10053 0 0 0 0.09 10058 10056 C2 SLES 1 17.9147 -5.22024 -26.3806 CTL2 10053 10057 10058 10059 -0.18 10059 10057 H21 SLES 1 17.8343 -6.32198 -26.5167 HAL2 10056 0 0 0 0.09 10060 10058 H22 SLES 1 16.8986 -4.78516 -26.5028 HAL2 10056 0 0 0 0.09 10061 10059 C3 SLES 1 18.4442 -4.91279 -24.8962 CTL2 10056 10060 10061 10062 -0.18 10062 10060 H31 SLES 1 18.8983 -5.83764 -24.4758 HAL2 10059 0 0 0 0.09 10063 10061 H32 SLES 1 19.2356 -4.13877 -24.948 HAL2 10059 0 0 0 0.09 10064 10062 C4 SLES 1 17.2991 -4.41314 -23.9207 CTL2 10059 10063 10064 10065 -0.18 10065 10063 H41 SLES 1 16.992 -5.25498 -23.2657 HAL2 10062 0 0 0 0.09 10066 10064 H42 SLES 1 16.4158 -4.107 -24.5215 HAL2 10062 0 0 0 0.09 10067 10065 C5 SLES 1 17.7586 -3.18511 -23.0121 CTL2 10062 10066 10067 10068 -0.18 10068 10066 H51 SLES 1 18.8699 -3.13414 -23.0055 HAL2 10065 0 0 0 0.09 10069 10067 H52 SLES 1 17.3754 -2.23961 -23.4595 HAL2 10065 0 0 0 0.09 10070 10068 C6 SLES 1 17.2446 -3.29425 -21.5271 CTL2 10065 10069 10070 10071 -0.18 10071 10069 H61 SLES 1 17.8126 -4.09638 -21.0046 HAL2 10068 0 0 0 0.09 10072 10070 H62 SLES 1 17.4482 -2.33191 -21.0018 HAL2 10068 0 0 0 0.09 10073 10071 C7 SLES 1 15.718 -3.60957 -21.4366 CTL2 10068 10072 10073 10074 -0.18 10074 10072 H71 SLES 1 15.5641 -4.70211 -21.5796 HAL2 10071 0 0 0 0.09 10075 10073 H72 SLES 1 15.1872 -3.07756 -22.2572 HAL2 10071 0 0 0 0.09 10076 10074 C8 SLES 1 15.101 -3.18792 -20.0797 CTL2 10071 10075 10076 10077 -0.18 10077 10075 H81 SLES 1 15.7648 -3.53408 -19.2545 HAL2 10074 0 0 0 0.09 10078 10076 H82 SLES 1 15.0467 -2.07634 -20.0344 HAL2 10074 0 0 0 0.09 10079 10077 C9 SLES 1 13.6823 -3.77319 -19.8674 CTL2 10074 10078 10079 10080 -0.18 10080 10078 H91 SLES 1 13.7325 -4.88324 -19.9423 HAL2 10077 0 0 0 0.09 10081 10079 H92 SLES 1 13.0127 -3.4043 -20.6767 HAL2 10077 0 0 0 0.09 10082 10080 C10 SLES 1 13.0773 -3.38727 -18.4968 CTL2 10077 10081 10082 10083 -0.18 10083 10081 H10 SLES 1 13.7349 -3.77651 -17.6864 HAL2 10080 0 0 0 0.09 10084 10082 H10 SLES 1 13.0472 -2.27733 -18.4121 HAL2 10080 0 0 0 0.09 10085 10083 C11 SLES 1 11.6444 -3.94947 -18.3003 CTL2 10080 10084 10085 10086 -0.18 10086 10084 H11 SLES 1 11.6808 -5.06014 -18.379 HAL2 10083 0 0 0 0.09 10087 10085 H11 SLES 1 10.995 -3.57198 -19.1229 HAL2 10083 0 0 0 0.09 10088 10086 C12 SLES 1 11.0033 -3.56565 -16.9415 CTL3 10083 10087 10088 10089 -0.27 10089 10087 H12 SLES 1 10.7467 -4.48048 -16.3631 HAL3 10086 0 0 0 0.09 10090 10088 H12 SLES 1 10.0735 -2.97741 -17.1052 HAL3 10086 0 0 0 0.09 10091 10089 H12 SLES 1 11.7092 -2.95249 -16.3399 HAL3 10086 0 0 0 0.09 10092 10090 NA SLES 1 17.562 -15.7547 -37.3557 NA 0 0 0 0 1 10093 10091 S SLES 1 19.76 -16.1006 -34.4575 SL 10092 10093 10094 10095 1.33 10094 10092 OS1 SLES 1 18.2658 -15.3431 -34.4274 OSL 10091 10096 0 0 -0.28 10095 10093 OS2 SLES 1 19.523 -17.453 -34.9185 O2L 10091 0 0 0 -0.65 10096 10094 OS3 SLES 1 20.5566 -15.3817 -35.4298 O2L 10091 0 0 0 -0.65 10097 10095 OS4 SLES 1 20.4481 -16.1273 -33.1768 O2L 10091 0 0 0 -0.65 10098 10096 C2 SLES 1 17.8751 -15.028 -33.0244 CC32A 10092 10097 10098 10099 -0.11 10099 10097 H2A SLES 1 17.8918 -15.9572 -32.3893 HCA2 10096 0 0 0 0.09 10100 10098 H2B SLES 1 18.612 -14.2875 -32.6061 HCA2 10096 0 0 0 0.09 10101 10099 C1 SLES 1 16.4047 -14.3927 -33.0138 CC32A 10096 10100 10101 10102 -0.01 10102 10100 H1B SLES 1 15.6877 -15.0881 -33.5079 HCA2 10099 0 0 0 0.09 10103 10101 H1A SLES 1 16.4054 -13.4247 -33.5671 HCA2 10099 0 0 0 0.09 10104 10102 O1 SLES 1 15.7405 -14.0818 -31.7331 OC30A 10099 10103 0 0 -0.34 10105 10103 C2 SLES 1 16.5909 -13.9887 -30.5709 CC32A 10102 10104 10105 10106 -0.01 10106 10104 H2A SLES 1 17.0247 -15.0069 -30.5269 HCA2 10103 0 0 0 0.09 10107 10105 H2B SLES 1 17.3787 -13.2773 -30.9067 HCA2 10103 0 0 0 0.09 10108 10106 C1 SLES 1 16.0834 -13.5779 -29.1528 CC32A 10103 10107 10108 10109 -0.01 10109 10107 H1B SLES 1 15.7838 -14.4851 -28.5842 HCA2 10106 0 0 0 0.09 10110 10108 H1A SLES 1 16.9016 -13.0694 -28.6045 HCA2 10106 0 0 0 0.09 10111 10109 O1 SLES 1 14.9028 -12.7407 -28.9334 OC30A 10106 10110 0 0 -0.34 10112 10110 C1 SLES 1 14.9444 -11.9114 -27.715 CTL2 10109 10111 10112 10113 -0.18 10113 10111 H11 SLES 1 15.8089 -12.253 -27.1175 HAL2 10110 0 0 0 0.09 10114 10112 H12 SLES 1 15.1776 -10.9132 -28.1397 HAL2 10110 0 0 0 0.09 10115 10113 C2 SLES 1 13.6664 -11.815 -26.791 CTL2 10110 10114 10115 10116 -0.18 10116 10114 H21 SLES 1 12.8664 -12.4682 -27.206 HAL2 10113 0 0 0 0.09 10117 10115 H22 SLES 1 13.2923 -10.7678 -26.7998 HAL2 10113 0 0 0 0.09 10118 10116 C3 SLES 1 13.968 -12.2538 -25.2761 CTL2 10113 10117 10118 10119 -0.18 10119 10117 H31 SLES 1 13.556 -13.2735 -25.1065 HAL2 10116 0 0 0 0.09 10120 10118 H32 SLES 1 15.0649 -12.301 -25.1252 HAL2 10116 0 0 0 0.09 10121 10119 C4 SLES 1 13.3439 -11.263 -24.2079 CTL2 10116 10120 10121 10122 -0.18 10122 10120 H41 SLES 1 12.4206 -11.7176 -23.792 HAL2 10119 0 0 0 0.09 10123 10121 H42 SLES 1 13.0611 -10.3138 -24.712 HAL2 10119 0 0 0 0.09 10124 10122 C5 SLES 1 14.3488 -10.9357 -23.0129 CTL2 10119 10123 10124 10125 -0.18 10125 10123 H51 SLES 1 15.15 -11.707 -22.9906 HAL2 10122 0 0 0 0.09 10126 10124 H52 SLES 1 14.8292 -9.94876 -23.2031 HAL2 10122 0 0 0 0.09 10127 10125 C6 SLES 1 13.639 -10.8974 -21.6072 CTL2 10122 10126 10127 10128 -0.18 10128 10126 H61 SLES 1 13.3722 -11.9355 -21.307 HAL2 10125 0 0 0 0.09 10129 10127 H62 SLES 1 14.3535 -10.4947 -20.8517 HAL2 10125 0 0 0 0.09 10130 10128 C7 SLES 1 12.3481 -10.0188 -21.6046 CTL2 10125 10129 10130 10131 -0.18 10131 10129 H71 SLES 1 11.5051 -10.6114 -22.024 HAL2 10128 0 0 0 0.09 10132 10130 H72 SLES 1 12.5077 -9.13542 -22.2622 HAL2 10128 0 0 0 0.09 10133 10131 C8 SLES 1 11.9623 -9.52922 -20.1865 CTL2 10128 10132 10133 10134 -0.18 10134 10132 H81 SLES 1 12.0235 -10.3856 -19.4764 HAL2 10131 0 0 0 0.09 10135 10133 H82 SLES 1 12.6933 -8.7561 -19.857 HAL2 10131 0 0 0 0.09 10136 10134 C9 SLES 1 10.5344 -8.93034 -20.1353 CTL2 10131 10135 10136 10137 -0.18 10137 10135 H91 SLES 1 9.80718 -9.69429 -20.493 HAL2 10134 0 0 0 0.09 10138 10136 H92 SLES 1 10.4821 -8.05739 -20.8243 HAL2 10134 0 0 0 0.09 10139 10137 C10 SLES 1 10.1293 -8.47569 -18.7131 CTL2 10134 10138 10139 10140 -0.18 10140 10138 H10 SLES 1 10.1589 -9.35378 -18.0284 HAL2 10137 0 0 0 0.09 10141 10139 H10 SLES 1 10.8685 -7.72811 -18.346 HAL2 10137 0 0 0 0.09 10142 10140 C11 SLES 1 8.71063 -7.84834 -18.6713 CTL2 10137 10141 10142 10143 -0.18 10143 10141 H11 SLES 1 7.97427 -8.6021 -19.0329 HAL2 10140 0 0 0 0.09 10144 10142 H11 SLES 1 8.68082 -6.98194 -19.3709 HAL2 10140 0 0 0 0.09 10145 10143 C12 SLES 1 8.28143 -7.36694 -17.2611 CTL3 10140 10144 10145 10146 -0.27 10146 10144 H12 SLES 1 7.35632 -7.89334 -16.938 HAL3 10143 0 0 0 0.09 10147 10145 H12 SLES 1 8.08171 -6.2727 -17.2705 HAL3 10143 0 0 0 0.09 10148 10146 H12 SLES 1 9.08416 -7.57429 -16.5204 HAL3 10143 0 0 0 0.09 10149 10147 NA SLES 1 9.6589 -20.7456 -37.7943 NA 0 0 0 0 1 10150 10148 S SLES 1 10.1665 -22.8179 -34.8281 SL 10149 10150 10151 10152 1.33 10151 10149 OS1 SLES 1 9.70193 -21.2086 -34.7903 OSL 10148 10153 0 0 -0.28 10152 10150 OS2 SLES 1 9.16625 -23.5134 -35.6111 O2L 10148 0 0 0 -0.65 10153 10151 OS3 SLES 1 11.441 -22.8532 -35.5144 O2L 10148 0 0 0 -0.65 10154 10152 OS4 SLES 1 10.2918 -23.4399 -33.5197 O2L 10148 0 0 0 -0.65 10155 10153 C2 SLES 1 9.32232 -20.8133 -33.4047 CC32A 10149 10154 10155 10156 -0.11 10156 10154 H2A SLES 1 8.52172 -21.4948 -33.0026 HCA2 10153 0 0 0 0.09 10157 10155 H2B SLES 1 10.2327 -20.8937 -32.7482 HCA2 10153 0 0 0 0.09 10158 10156 C1 SLES 1 8.79191 -19.3018 -33.4113 CC32A 10153 10157 10158 10159 -0.01 10159 10157 H1B SLES 1 7.94506 -19.2004 -34.1285 HCA2 10156 0 0 0 0.09 10160 10158 H1A SLES 1 9.61147 -18.6133 -33.7235 HCA2 10156 0 0 0 0.09 10161 10159 O1 SLES 1 8.25757 -18.6981 -32.1752 OC30A 10156 10160 0 0 -0.34 10162 10160 C2 SLES 1 8.60426 -19.351 -30.9358 CC32A 10159 10161 10162 10163 -0.01 10163 10161 H2A SLES 1 8.16229 -20.3564 -31.0794 HCA2 10160 0 0 0 0.09 10164 10162 H2B SLES 1 9.71211 -19.4323 -31.0095 HCA2 10160 0 0 0 0.09 10165 10163 C1 SLES 1 8.21101 -18.8065 -29.5265 CC32A 10160 10164 10165 10166 -0.01 10166 10164 H1B SLES 1 7.23216 -19.2345 -29.2188 HCA2 10163 0 0 0 0.09 10167 10165 H1A SLES 1 8.97979 -19.1119 -28.7887 HCA2 10163 0 0 0 0.09 10168 10166 O1 SLES 1 7.96475 -17.3898 -29.2527 OC30A 10163 10167 0 0 -0.34 10169 10167 C1 SLES 1 8.28061 -16.9562 -27.8793 CTL2 10166 10168 10169 10170 -0.18 10170 10168 H11 SLES 1 8.46755 -17.8685 -27.2843 HAL2 10167 0 0 0 0.09 10171 10169 H12 SLES 1 9.24454 -16.4289 -28.0344 HAL2 10167 0 0 0 0.09 10172 10170 C2 SLES 1 7.27422 -16.0156 -27.1055 CTL2 10167 10171 10172 10173 -0.18 10173 10171 H21 SLES 1 6.38277 -15.8305 -27.7456 HAL2 10170 0 0 0 0.09 10174 10172 H22 SLES 1 7.76772 -15.0376 -26.9145 HAL2 10170 0 0 0 0.09 10175 10173 C3 SLES 1 6.79446 -16.6451 -25.7083 CTL2 10170 10174 10175 10176 -0.18 10176 10174 H31 SLES 1 5.75895 -17.0356 -25.8246 HAL2 10173 0 0 0 0.09 10177 10175 H32 SLES 1 7.45283 -17.4989 -25.4516 HAL2 10173 0 0 0 0.09 10178 10176 C4 SLES 1 6.81902 -15.6002 -24.5168 CTL2 10173 10177 10178 10179 -0.18 10179 10177 H41 SLES 1 5.78298 -15.2528 -24.3217 HAL2 10176 0 0 0 0.09 10180 10178 H42 SLES 1 7.42491 -14.7184 -24.8171 HAL2 10176 0 0 0 0.09 10181 10179 C5 SLES 1 7.42584 -16.213 -23.1747 CTL2 10176 10180 10181 10182 -0.18 10182 10180 H51 SLES 1 7.40755 -17.3232 -23.2418 HAL2 10179 0 0 0 0.09 10183 10181 H52 SLES 1 8.48865 -15.8935 -23.0783 HAL2 10179 0 0 0 0.09 10184 10182 C6 SLES 1 6.63806 -15.7673 -21.8855 CTL2 10179 10183 10184 10185 -0.18 10185 10183 H61 SLES 1 5.65405 -16.2872 -21.8637 HAL2 10182 0 0 0 0.09 10186 10184 H62 SLES 1 7.21254 -16.0823 -20.9831 HAL2 10182 0 0 0 0.09 10187 10185 C7 SLES 1 6.40072 -14.2252 -21.824 CTL2 10182 10186 10187 10188 -0.18 10188 10186 H71 SLES 1 5.52459 -13.9673 -22.4593 HAL2 10185 0 0 0 0.09 10189 10187 H72 SLES 1 7.29151 -13.703 -22.2389 HAL2 10185 0 0 0 0.09 10190 10188 C8 SLES 1 6.14395 -13.7179 -20.383 CTL2 10185 10189 10190 10191 -0.18 10191 10189 H81 SLES 1 5.40609 -14.3892 -19.8867 HAL2 10188 0 0 0 0.09 10192 10190 H82 SLES 1 7.09524 -13.7654 -19.8056 HAL2 10188 0 0 0 0.09 10193 10191 C9 SLES 1 5.60613 -12.2652 -20.3541 CTL2 10188 10192 10193 10194 -0.18 10194 10192 H91 SLES 1 4.67077 -12.2123 -20.9563 HAL2 10191 0 0 0 0.09 10195 10193 H92 SLES 1 6.35649 -11.5911 -20.8252 HAL2 10191 0 0 0 0.09 10196 10194 C10 SLES 1 5.3109 -11.7674 -18.9194 CTL2 10191 10195 10196 10197 -0.18 10197 10195 H10 SLES 1 4.54292 -12.428 -18.4561 HAL2 10194 0 0 0 0.09 10198 10196 H10 SLES 1 6.24035 -11.8409 -18.3105 HAL2 10194 0 0 0 0.09 10199 10197 C11 SLES 1 4.80164 -10.3019 -18.8919 CTL2 10194 10198 10199 10200 -0.18 10200 10198 H11 SLES 1 3.86832 -10.235 -19.4966 HAL2 10197 0 0 0 0.09 10201 10199 H11 SLES 1 5.56485 -9.64788 -19.3723 HAL2 10197 0 0 0 0.09 10202 10200 C12 SLES 1 4.5122 -9.76739 -17.4654 CTL3 10197 10201 10202 10203 -0.27 10203 10201 H12 SLES 1 3.4469 -9.45983 -17.3766 HAL3 10200 0 0 0 0.09 10204 10202 H12 SLES 1 5.15492 -8.88671 -17.2448 HAL3 10200 0 0 0 0.09 10205 10203 H12 SLES 1 4.71793 -10.5548 -16.7078 HAL3 10200 0 0 0 0.09 10206 10204 NA SLES 1 0.54374 -22.6387 -37.9378 NA 0 0 0 0 1 10207 10205 S SLES 1 -1.37979 -24.2744 -35.2967 SL 10206 10207 10208 10209 1.33 10208 10206 OS1 SLES 1 -0.516324 -22.8525 -35.0969 OSL 10205 10210 0 0 -0.28 10209 10207 OS2 SLES 1 -2.32934 -24.0292 -36.3624 O2L 10205 0 0 0 -0.65 10210 10208 OS3 SLES 1 -0.418839 -25.274 -35.714 O2L 10205 0 0 0 -0.65 10211 10209 OS4 SLES 1 -2.07894 -24.7275 -34.105 O2L 10205 0 0 0 -0.65 10212 10210 C2 SLES 1 -0.81814 -22.2476 -33.769 CC32A 10206 10211 10212 10213 -0.11 10213 10211 H2A SLES 1 -1.92614 -22.0911 -33.6465 HCA2 10210 0 0 0 0.09 10214 10212 H2B SLES 1 -0.458486 -22.9498 -32.9666 HCA2 10210 0 0 0 0.09 10215 10213 C1 SLES 1 -0.0568644 -20.8441 -33.6407 CC32A 10210 10214 10215 10216 -0.01 10216 10214 H1B SLES 1 -0.345383 -20.1777 -34.4859 HCA2 10213 0 0 0 0.09 10217 10215 H1A SLES 1 1.04583 -21.0063 -33.6712 HCA2 10213 0 0 0 0.09 10218 10216 O1 SLES 1 -0.26866 -19.9914 -32.455 OC30A 10213 10217 0 0 -0.34 10219 10217 C2 SLES 1 -0.831479 -20.6325 -31.291 CC32A 10216 10218 10219 10220 -0.01 10220 10218 H2A SLES 1 -1.80918 -20.982 -31.6768 HCA2 10217 0 0 0 0.09 10221 10219 H2B SLES 1 -0.16373 -21.513 -31.1559 HCA2 10217 0 0 0 0.09 10222 10220 C1 SLES 1 -1.03951 -19.9168 -29.9192 CC32A 10217 10221 10222 10223 -0.01 10223 10221 H1B SLES 1 -2.05358 -19.4625 -29.8831 HCA2 10220 0 0 0 0.09 10224 10222 H1A SLES 1 -0.954319 -20.6606 -29.1018 HCA2 10220 0 0 0 0.09 10225 10223 O1 SLES 1 -0.235466 -18.7758 -29.4784 OC30A 10220 10224 0 0 -0.34 10226 10224 C1 SLES 1 -0.0616197 -18.6625 -28.0186 CTL2 10223 10225 10226 10227 -0.18 10227 10225 H11 SLES 1 -0.754047 -19.3856 -27.5508 HAL2 10224 0 0 0 0.09 10228 10226 H12 SLES 1 0.976949 -19.0329 -27.8943 HAL2 10224 0 0 0 0.09 10229 10227 C2 SLES 1 -0.214881 -17.2537 -27.3201 CTL2 10224 10228 10229 10230 -0.18 10230 10228 H21 SLES 1 -0.490303 -16.4949 -28.0864 HAL2 10227 0 0 0 0.09 10231 10229 H22 SLES 1 0.764016 -16.9588 -26.8826 HAL2 10227 0 0 0 0.09 10232 10230 C3 SLES 1 -1.32862 -17.2585 -26.1634 CTL2 10227 10231 10232 10233 -0.18 10233 10231 H31 SLES 1 -2.24566 -16.7551 -26.5427 HAL2 10230 0 0 0 0.09 10234 10232 H32 SLES 1 -1.59245 -18.3071 -25.9202 HAL2 10230 0 0 0 0.09 10235 10233 C4 SLES 1 -0.851185 -16.5281 -24.8402 CTL2 10230 10234 10235 10236 -0.18 10236 10234 H41 SLES 1 -1.30996 -15.5181 -24.8014 HAL2 10233 0 0 0 0.09 10237 10235 H42 SLES 1 0.252504 -16.4018 -24.871 HAL2 10233 0 0 0 0.09 10238 10236 C5 SLES 1 -1.24414 -17.3314 -23.5191 CTL2 10233 10237 10238 10239 -0.18 10239 10237 H51 SLES 1 -2.04622 -18.0623 -23.7637 HAL2 10236 0 0 0 0.09 10240 10238 H52 SLES 1 -0.356302 -17.9034 -23.1649 HAL2 10236 0 0 0 0.09 10241 10239 C6 SLES 1 -1.74622 -16.3937 -22.3572 CTL2 10236 10240 10241 10242 -0.18 10242 10240 H61 SLES 1 -2.75893 -16.0091 -22.6133 HAL2 10239 0 0 0 0.09 10243 10241 H62 SLES 1 -1.83347 -16.9926 -21.4207 HAL2 10239 0 0 0 0.09 10244 10242 C7 SLES 1 -0.792247 -15.1845 -22.1001 CTL2 10239 10243 10244 10245 -0.18 10245 10243 H71 SLES 1 -1.00624 -14.3883 -22.8471 HAL2 10242 0 0 0 0.09 10246 10244 H72 SLES 1 0.26077 -15.515 -22.2424 HAL2 10242 0 0 0 0.09 10247 10245 C8 SLES 1 -0.94792 -14.5937 -20.6766 CTL2 10242 10246 10247 10248 -0.18 10248 10246 H81 SLES 1 -2.03189 -14.4729 -20.4489 HAL2 10245 0 0 0 0.09 10249 10247 H82 SLES 1 -0.518495 -15.3077 -19.9374 HAL2 10245 0 0 0 0.09 10250 10248 C9 SLES 1 -0.242998 -13.2225 -20.5247 CTL2 10245 10249 10250 10251 -0.18 10251 10249 H91 SLES 1 -0.652111 -12.5178 -21.2839 HAL2 10248 0 0 0 0.09 10252 10250 H92 SLES 1 0.844764 -13.3495 -20.725 HAL2 10248 0 0 0 0.09 10253 10251 C10 SLES 1 -0.428568 -12.6097 -19.1163 CTL2 10248 10252 10253 10254 -0.18 10254 10252 H10 SLES 1 -1.51575 -12.4608 -18.9249 HAL2 10251 0 0 0 0.09 10255 10253 H10 SLES 1 -0.0398303 -13.3234 -18.3551 HAL2 10251 0 0 0 0.09 10256 10254 C11 SLES 1 0.304368 -11.2511 -18.9581 CTL2 10251 10255 10256 10257 -0.18 10257 10255 H11 SLES 1 -0.0927362 -10.5387 -19.7171 HAL2 10254 0 0 0 0.09 10258 10256 H11 SLES 1 1.38798 -11.4015 -19.168 HAL2 10254 0 0 0 0.09 10259 10257 C12 SLES 1 0.151174 -10.6185 -17.5507 CTL3 10254 10258 10259 10260 -0.27 10260 10258 H12 SLES 1 -0.328678 -9.61783 -17.6268 HAL3 10257 0 0 0 0.09 10261 10259 H12 SLES 1 1.14731 -10.4982 -17.0705 HAL3 10257 0 0 0 0.09 10262 10260 H12 SLES 1 -0.479082 -11.2652 -16.9021 HAL3 10257 0 0 0 0.09 10263 10261 NA SLES 1 -9.0736 -20.9259 -37.8399 NA 0 0 0 0 1 10264 10262 S SLES 1 -12.0423 -20.1738 -35.8471 SL 10263 10264 10265 10266 1.33 10265 10263 OS1 SLES 1 -10.4708 -19.853 -35.3627 OSL 10262 10267 0 0 -0.28 10266 10264 OS2 SLES 1 -12.2358 -19.47 -37.098 O2L 10262 0 0 0 -0.65 10267 10265 OS3 SLES 1 -12.1112 -21.6028 -36.0705 O2L 10262 0 0 0 -0.65 10268 10266 OS4 SLES 1 -13.0615 -19.773 -34.8905 O2L 10262 0 0 0 -0.65 10269 10267 C2 SLES 1 -10.4713 -19.0337 -34.118 CC32A 10263 10268 10269 10270 -0.11 10270 10268 H2A SLES 1 -11.0706 -18.0919 -34.2629 HCA2 10267 0 0 0 0.09 10271 10269 H2B SLES 1 -10.938 -19.6391 -33.2922 HCA2 10267 0 0 0 0.09 10272 10270 C1 SLES 1 -8.9631 -18.66 -33.729 CC32A 10267 10271 10272 10273 -0.01 10273 10271 H1B SLES 1 -8.47028 -18.1372 -34.5808 HCA2 10270 0 0 0 0.09 10274 10272 H1A SLES 1 -8.38997 -19.5878 -33.4968 HCA2 10270 0 0 0 0.09 10275 10273 O1 SLES 1 -8.69176 -17.7666 -32.5861 OC30A 10270 10274 0 0 -0.34 10276 10274 C2 SLES 1 -9.76193 -17.594 -31.6334 CC32A 10273 10275 10276 10277 -0.01 10277 10275 H2A SLES 1 -10.5587 -17.1563 -32.2663 HCA2 10274 0 0 0 0.09 10278 10276 H2B SLES 1 -10.0358 -18.6447 -31.3876 HCA2 10274 0 0 0 0.09 10279 10277 C1 SLES 1 -9.62919 -16.7652 -30.3171 CC32A 10274 10278 10279 10280 -0.01 10280 10278 H1B SLES 1 -9.92772 -15.711 -30.5059 HCA2 10277 0 0 0 0.09 10281 10279 H1A SLES 1 -10.3018 -17.1921 -29.5465 HCA2 10277 0 0 0 0.09 10282 10280 O1 SLES 1 -8.35521 -16.5479 -29.6297 OC30A 10277 10281 0 0 -0.34 10283 10281 C1 SLES 1 -8.45576 -16.3829 -28.168 CTL2 10280 10282 10283 10284 -0.18 10284 10282 H11 SLES 1 -9.52823 -16.2727 -27.9254 HAL2 10281 0 0 0 0.09 10285 10283 H12 SLES 1 -8.11104 -17.3762 -27.8132 HAL2 10281 0 0 0 0.09 10286 10284 C2 SLES 1 -7.63021 -15.2423 -27.4513 CTL2 10281 10285 10286 10287 -0.18 10287 10285 H21 SLES 1 -7.07551 -14.6569 -28.2184 HAL2 10284 0 0 0 0.09 10288 10286 H22 SLES 1 -6.88432 -15.7088 -26.7712 HAL2 10284 0 0 0 0.09 10289 10287 C3 SLES 1 -8.56345 -14.2462 -26.6056 CTL2 10284 10288 10289 10290 -0.18 10290 10288 H31 SLES 1 -8.68041 -13.2942 -27.1699 HAL2 10287 0 0 0 0.09 10291 10289 H32 SLES 1 -9.56811 -14.7003 -26.4932 HAL2 10287 0 0 0 0.09 10292 10290 C4 SLES 1 -7.98137 -13.9229 -25.1672 CTL2 10287 10291 10292 10293 -0.18 10293 10291 H41 SLES 1 -7.51433 -12.9161 -25.1862 HAL2 10290 0 0 0 0.09 10294 10292 H42 SLES 1 -7.1901 -14.6627 -24.919 HAL2 10290 0 0 0 0.09 10295 10293 C5 SLES 1 -9.09931 -13.9587 -24.0298 CTL2 10290 10294 10295 10296 -0.18 10296 10294 H51 SLES 1 -10.1025 -13.8795 -24.504 HAL2 10293 0 0 0 0.09 10297 10295 H52 SLES 1 -9.04723 -14.9376 -23.5007 HAL2 10293 0 0 0 0.09 10298 10296 C6 SLES 1 -8.94056 -12.7982 -22.9765 CTL2 10293 10297 10298 10299 -0.18 10299 10297 H61 SLES 1 -9.23182 -11.8346 -23.4516 HAL2 10296 0 0 0 0.09 10300 10298 H62 SLES 1 -9.63578 -12.9846 -22.1248 HAL2 10296 0 0 0 0.09 10301 10299 C7 SLES 1 -7.48441 -12.675 -22.4263 CTL2 10296 10300 10301 10302 -0.18 10302 10300 H71 SLES 1 -6.86703 -12.1078 -23.1576 HAL2 10299 0 0 0 0.09 10303 10301 H72 SLES 1 -7.04677 -13.693 -22.3238 HAL2 10299 0 0 0 0.09 10304 10302 C8 SLES 1 -7.42355 -11.9589 -21.054 CTL2 10299 10303 10304 10305 -0.18 10305 10303 H81 SLES 1 -8.05594 -11.0424 -21.0931 HAL2 10302 0 0 0 0.09 10306 10304 H82 SLES 1 -7.84273 -12.6331 -20.2728 HAL2 10302 0 0 0 0.09 10307 10305 C9 SLES 1 -5.97962 -11.561 -20.6577 CTL2 10302 10306 10307 10308 -0.18 10308 10306 H91 SLES 1 -5.5507 -10.9108 -21.4538 HAL2 10305 0 0 0 0.09 10309 10307 H92 SLES 1 -5.35511 -12.4803 -20.5916 HAL2 10305 0 0 0 0.09 10310 10308 C10 SLES 1 -5.91779 -10.8106 -19.3063 CTL2 10305 10309 10310 10311 -0.18 10311 10309 H10 SLES 1 -6.52367 -9.87874 -19.3797 HAL2 10308 0 0 0 0.09 10312 10310 H10 SLES 1 -6.36668 -11.4512 -18.5137 HAL2 10308 0 0 0 0.09 10313 10311 C11 SLES 1 -4.46717 -10.4407 -18.8978 CTL2 10308 10312 10313 10314 -0.18 10314 10312 H11 SLES 1 -4.02502 -9.79447 -19.6902 HAL2 10311 0 0 0 0.09 10315 10313 H11 SLES 1 -3.86098 -11.3737 -18.8432 HAL2 10311 0 0 0 0.09 10316 10314 C12 SLES 1 -4.36998 -9.70149 -17.5381 CTL3 10311 10315 10316 10317 -0.27 10317 10315 H12 SLES 1 -3.89997 -8.70251 -17.6741 HAL3 10314 0 0 0 0.09 10318 10316 H12 SLES 1 -3.75363 -10.2887 -16.8221 HAL3 10314 0 0 0 0.09 10319 10317 H12 SLES 1 -5.38247 -9.56014 -17.1011 HAL3 10314 0 0 0 0.09 10320 10318 NA SLES 1 -17.7753 -14.8912 -37.6082 NA 0 0 0 0 1 10321 10319 S SLES 1 -19.2515 -11.7583 -36.4436 SL 10320 10321 10322 10323 1.33 10322 10320 OS1 SLES 1 -18.0788 -12.619 -35.612 OSL 10319 10324 0 0 -0.28 10323 10321 OS2 SLES 1 -18.6897 -11.4539 -37.7433 O2L 10319 0 0 0 -0.65 10324 10322 OS3 SLES 1 -20.3791 -12.6543 -36.5923 O2L 10319 0 0 0 -0.65 10325 10323 OS4 SLES 1 -19.6771 -10.5319 -35.7884 O2L 10319 0 0 0 -0.65 10326 10324 C2 SLES 1 -17.5782 -11.8241 -34.4553 CC32A 10320 10325 10326 10327 -0.11 10327 10325 H2A SLES 1 -17.2037 -10.819 -34.7966 HCA2 10324 0 0 0 0.09 10328 10326 H2B SLES 1 -18.4275 -11.6705 -33.7332 HCA2 10324 0 0 0 0.09 10329 10327 C1 SLES 1 -16.3936 -12.6259 -33.7345 CC32A 10324 10328 10329 10330 -0.01 10330 10328 H1B SLES 1 -15.5893 -12.8566 -34.4705 HCA2 10327 0 0 0 0.09 10331 10329 H1A SLES 1 -16.7829 -13.5831 -33.3158 HCA2 10327 0 0 0 0.09 10332 10330 O1 SLES 1 -15.6555 -12.01 -32.6147 OC30A 10327 10331 0 0 -0.34 10333 10331 C2 SLES 1 -16.2896 -10.8898 -31.9622 CC32A 10330 10332 10333 10334 -0.01 10334 10332 H2A SLES 1 -16.3761 -10.1638 -32.7942 HCA2 10331 0 0 0 0.09 10335 10333 H2B SLES 1 -17.3018 -11.29 -31.7287 HCA2 10331 0 0 0 0.09 10336 10334 C1 SLES 1 -15.7065 -10.1722 -30.7043 CC32A 10331 10335 10336 10337 -0.01 10337 10335 H1B SLES 1 -15.0532 -9.33044 -31.0218 HCA2 10334 0 0 0 0.09 10338 10336 H1A SLES 1 -16.5392 -9.7655 -30.0962 HCA2 10334 0 0 0 0.09 10339 10337 O1 SLES 1 -14.8211 -10.8304 -29.7422 OC30A 10334 10338 0 0 -0.34 10340 10338 C1 SLES 1 -14.914 -10.3229 -28.361 CTL2 10337 10339 10340 10341 -0.18 10341 10339 H11 SLES 1 -15.5209 -9.39996 -28.393 HAL2 10338 0 0 0 0.09 10342 10340 H12 SLES 1 -15.5093 -11.1235 -27.8752 HAL2 10338 0 0 0 0.09 10343 10341 C2 SLES 1 -13.5936 -10.0608 -27.5339 CTL2 10338 10342 10343 10344 -0.18 10344 10342 H21 SLES 1 -12.7115 -10.2793 -28.1766 HAL2 10341 0 0 0 0.09 10345 10343 H22 SLES 1 -13.5662 -10.7564 -26.6668 HAL2 10341 0 0 0 0.09 10346 10344 C3 SLES 1 -13.4918 -8.54969 -27.0003 CTL2 10341 10345 10346 10347 -0.18 10347 10345 H31 SLES 1 -12.7644 -7.99197 -27.6313 HAL2 10344 0 0 0 0.09 10348 10346 H32 SLES 1 -14.4805 -8.06086 -27.1086 HAL2 10344 0 0 0 0.09 10349 10347 C4 SLES 1 -13.0353 -8.45678 -25.4853 CTL2 10344 10348 10349 10350 -0.18 10350 10348 H41 SLES 1 -11.9617 -8.17708 -25.4497 HAL2 10347 0 0 0 0.09 10351 10349 H42 SLES 1 -13.1449 -9.45496 -25.0093 HAL2 10347 0 0 0 0.09 10352 10350 C5 SLES 1 -13.8807 -7.39018 -24.6532 CTL2 10347 10351 10352 10353 -0.18 10353 10351 H51 SLES 1 -14.3909 -6.6997 -25.3606 HAL2 10350 0 0 0 0.09 10354 10352 H52 SLES 1 -14.6656 -7.92443 -24.0706 HAL2 10350 0 0 0 0.09 10355 10353 C6 SLES 1 -12.9956 -6.54291 -23.6633 CTL2 10350 10354 10355 10356 -0.18 10356 10354 H61 SLES 1 -12.377 -5.82794 -24.2509 HAL2 10353 0 0 0 0.09 10357 10355 H62 SLES 1 -13.6644 -5.95021 -22.9964 HAL2 10353 0 0 0 0.09 10358 10356 C7 SLES 1 -12.0552 -7.42686 -22.7843 CTL2 10353 10357 10358 10359 -0.18 10359 10357 H71 SLES 1 -11.1522 -7.69545 -23.376 HAL2 10356 0 0 0 0.09 10360 10358 H72 SLES 1 -12.5847 -8.36895 -22.5187 HAL2 10356 0 0 0 0.09 10361 10359 C8 SLES 1 -11.6104 -6.71383 -21.483 CTL2 10356 10360 10361 10362 -0.18 10362 10360 H81 SLES 1 -11.2875 -5.67608 -21.7285 HAL2 10359 0 0 0 0.09 10363 10361 H82 SLES 1 -12.4788 -6.64889 -20.7886 HAL2 10359 0 0 0 0.09 10364 10362 C9 SLES 1 -10.4476 -7.45082 -20.7723 CTL2 10359 10363 10364 10365 -0.18 10365 10363 H91 SLES 1 -9.59028 -7.5415 -21.4773 HAL2 10362 0 0 0 0.09 10366 10364 H92 SLES 1 -10.7804 -8.47839 -20.5024 HAL2 10362 0 0 0 0.09 10367 10365 C10 SLES 1 -9.97329 -6.72166 -19.4929 CTL2 10362 10366 10367 10368 -0.18 10368 10366 H10 SLES 1 -9.61838 -5.70175 -19.766 HAL2 10365 0 0 0 0.09 10369 10367 H10 SLES 1 -10.8353 -6.61094 -18.7967 HAL2 10365 0 0 0 0.09 10370 10368 C11 SLES 1 -8.82953 -7.47853 -18.767 CTL2 10365 10369 10370 10371 -0.18 10371 10369 H11 SLES 1 -7.96736 -7.58066 -19.4651 HAL2 10368 0 0 0 0.09 10372 10370 H11 SLES 1 -9.18311 -8.50366 -18.512 HAL2 10368 0 0 0 0.09 10373 10371 C12 SLES 1 -8.34279 -6.78089 -17.4705 CTL3 10368 10372 10373 10374 -0.27 10374 10372 H12 SLES 1 -7.26073 -6.53462 -17.547 HAL3 10371 0 0 0 0.09 10375 10373 H12 SLES 1 -8.49337 -7.44762 -16.5929 HAL3 10371 0 0 0 0.09 10376 10374 H12 SLES 1 -8.90934 -5.83931 -17.3015 HAL3 10371 0 0 0 0.09 10377 10375 NA SLES 1 -23.0866 -4.64001 -37.384 NA 0 0 0 0 1 10378 10376 S SLES 1 -21.5251 -1.35477 -37.0384 SL 10377 10378 10379 10380 1.33 10379 10377 OS1 SLES 1 -21.4678 -2.55746 -35.8733 OSL 10376 10381 0 0 -0.28 10380 10378 OS2 SLES 1 -20.9522 -1.92348 -38.2408 O2L 10376 0 0 0 -0.65 10381 10379 OS3 SLES 1 -22.9281 -1.06607 -37.2506 O2L 10376 0 0 0 -0.65 10382 10380 OS4 SLES 1 -20.8176 -0.135579 -36.6814 O2L 10376 0 0 0 -0.65 10383 10381 C2 SLES 1 -20.5215 -2.17847 -34.7864 CC32A 10377 10382 10383 10384 -0.11 10384 10382 H2A SLES 1 -19.5035 -1.94865 -35.2084 HCA2 10381 0 0 0 0.09 10385 10383 H2B SLES 1 -20.9183 -1.25993 -34.2715 HCA2 10381 0 0 0 0.09 10386 10384 C1 SLES 1 -20.4115 -3.38259 -33.7358 CC32A 10381 10385 10386 10387 -0.01 10387 10385 H1B SLES 1 -20.1033 -4.31629 -34.2602 HCA2 10384 0 0 0 0.09 10388 10386 H1A SLES 1 -21.4001 -3.55336 -33.2493 HCA2 10384 0 0 0 0.09 10389 10387 O1 SLES 1 -19.4595 -3.30079 -32.6111 OC30A 10384 10388 0 0 -0.34 10390 10388 C2 SLES 1 -18.9644 -1.9866 -32.2789 CC32A 10387 10389 10390 10391 -0.01 10391 10389 H2A SLES 1 -18.456 -1.69316 -33.2182 HCA2 10388 0 0 0 0.09 10392 10390 H2B SLES 1 -19.9023 -1.39531 -32.1788 HCA2 10388 0 0 0 0.09 10393 10391 C1 SLES 1 -18.0267 -1.69157 -31.066 CC32A 10388 10392 10393 10394 -0.01 10394 10392 H1B SLES 1 -16.9646 -1.76612 -31.3861 HCA2 10391 0 0 0 0.09 10395 10393 H1A SLES 1 -18.2156 -0.662802 -30.6992 HCA2 10391 0 0 0 0.09 10396 10394 O1 SLES 1 -17.9864 -2.52192 -29.8612 OC30A 10391 10395 0 0 -0.34 10397 10395 C1 SLES 1 -17.6307 -1.80602 -28.6223 CTL2 10394 10396 10397 10398 -0.18 10398 10396 H11 SLES 1 -17.2809 -0.799823 -28.9162 HAL2 10395 0 0 0 0.09 10399 10397 H12 SLES 1 -18.6228 -1.70945 -28.1348 HAL2 10395 0 0 0 0.09 10400 10398 C2 SLES 1 -16.5996 -2.45223 -27.6145 CTL2 10395 10399 10400 10401 -0.18 10401 10399 H21 SLES 1 -16.2326 -3.41488 -28.0358 HAL2 10398 0 0 0 0.09 10402 10400 H22 SLES 1 -17.1202 -2.67374 -26.6572 HAL2 10398 0 0 0 0.09 10403 10401 C3 SLES 1 -15.3435 -1.49561 -27.3218 CTL2 10398 10402 10403 10404 -0.18 10404 10402 H31 SLES 1 -14.4621 -1.87391 -27.8859 HAL2 10401 0 0 0 0.09 10405 10403 H32 SLES 1 -15.5718 -0.476168 -27.6917 HAL2 10401 0 0 0 0.09 10406 10404 C4 SLES 1 -14.9724 -1.41332 -25.7831 CTL2 10401 10405 10406 10407 -0.18 10407 10405 H41 SLES 1 -14.0884 -2.05671 -25.5914 HAL2 10404 0 0 0 0.09 10408 10406 H42 SLES 1 -15.8197 -1.80772 -25.1817 HAL2 10404 0 0 0 0.09 10409 10407 C5 SLES 1 -14.6482 0.0746341 -25.308 CTL2 10404 10408 10409 10410 -0.18 10410 10408 H51 SLES 1 -14.4285 0.701032 -26.2006 HAL2 10407 0 0 0 0.09 10411 10409 H52 SLES 1 -15.5473 0.498818 -24.8053 HAL2 10407 0 0 0 0.09 10412 10410 C6 SLES 1 -13.4247 0.150215 -24.3187 CTL2 10407 10411 10412 10413 -0.18 10413 10411 H61 SLES 1 -12.4866 -0.0403808 -24.8867 HAL2 10410 0 0 0 0.09 10414 10412 H62 SLES 1 -13.3655 1.1796 -23.8941 HAL2 10410 0 0 0 0.09 10415 10413 C7 SLES 1 -13.5288 -0.877405 -23.1476 CTL2 10410 10414 10415 10416 -0.18 10416 10414 H71 SLES 1 -13.1877 -1.87334 -23.5075 HAL2 10413 0 0 0 0.09 10417 10415 H72 SLES 1 -14.5937 -0.970136 -22.8383 HAL2 10413 0 0 0 0.09 10418 10416 C8 SLES 1 -12.6797 -0.46893 -21.918 CTL2 10413 10417 10418 10419 -0.18 10419 10417 H81 SLES 1 -11.6672 -0.156456 -22.2622 HAL2 10416 0 0 0 0.09 10420 10418 H82 SLES 1 -13.1584 0.404428 -21.4193 HAL2 10416 0 0 0 0.09 10421 10419 C9 SLES 1 -12.5326 -1.62016 -20.8917 CTL2 10416 10420 10421 10422 -0.18 10422 10420 H91 SLES 1 -12.0811 -2.50306 -21.3987 HAL2 10419 0 0 0 0.09 10423 10421 H92 SLES 1 -13.543 -1.91287 -20.5274 HAL2 10419 0 0 0 0.09 10424 10422 C10 SLES 1 -11.6529 -1.22995 -19.6804 CTL2 10419 10423 10424 10425 -0.18 10425 10423 H10 SLES 1 -10.6348 -0.959464 -20.0425 HAL2 10422 0 0 0 0.09 10426 10424 H10 SLES 1 -12.0915 -0.333712 -19.1861 HAL2 10422 0 0 0 0.09 10427 10425 C11 SLES 1 -11.5329 -2.37482 -18.6398 CTL2 10422 10426 10427 10428 -0.18 10428 10426 H11 SLES 1 -11.0874 -3.26653 -19.1373 HAL2 10425 0 0 0 0.09 10429 10427 H11 SLES 1 -12.5544 -2.65392 -18.2942 HAL2 10425 0 0 0 0.09 10430 10428 C12 SLES 1 -10.6701 -2.00866 -17.4045 CTL3 10425 10429 10430 10431 -0.27 10431 10429 H12 SLES 1 -9.80833 -2.70622 -17.3144 HAL3 10428 0 0 0 0.09 10432 10430 H12 SLES 1 -11.278 -2.07452 -16.4752 HAL3 10428 0 0 0 0.09 10433 10431 H12 SLES 1 -10.2787 -0.972339 -17.4991 HAL3 10428 0 0 0 0.09 10434 10432 NA SLES 1 -22.359 7.74373 -37.3121 NA 0 0 0 0 1 10435 10433 S SLES 1 -18.7875 8.46681 -37.5813 SL 10434 10435 10436 10437 1.33 10436 10434 OS1 SLES 1 -19.5505 7.97598 -36.1726 OSL 10433 10438 0 0 -0.28 10437 10435 OS2 SLES 1 -19.0415 7.43408 -38.5644 O2L 10433 0 0 0 -0.65 10438 10436 OS3 SLES 1 -19.4354 9.69811 -37.9822 O2L 10433 0 0 0 -0.65 10439 10437 OS4 SLES 1 -17.3557 8.68197 -37.4476 O2L 10433 0 0 0 -0.65 10440 10438 C2 SLES 1 -18.5422 7.67331 -35.118 CC32A 10434 10439 10440 10441 -0.11 10441 10439 H2A SLES 1 -17.7999 6.91096 -35.4855 HCA2 10438 0 0 0 0.09 10442 10440 H2B SLES 1 -17.9942 8.62292 -34.8648 HCA2 10438 0 0 0 0.09 10443 10441 C1 SLES 1 -19.2891 7.11592 -33.8152 CC32A 10438 10442 10443 10444 -0.01 10444 10442 H1B SLES 1 -19.9039 6.22573 -34.0824 HCA2 10441 0 0 0 0.09 10445 10443 H1A SLES 1 -19.959 7.90248 -33.3961 HCA2 10441 0 0 0 0.09 10446 10444 O1 SLES 1 -18.5063 6.64602 -32.6558 OC30A 10441 10445 0 0 -0.34 10447 10445 C2 SLES 1 -17.1312 7.07857 -32.5874 CC32A 10444 10446 10447 10448 -0.01 10448 10446 H2A SLES 1 -16.7126 6.64721 -33.5177 HCA2 10445 0 0 0 0.09 10449 10447 H2B SLES 1 -17.2203 8.18128 -32.7117 HCA2 10445 0 0 0 0.09 10450 10448 C1 SLES 1 -16.1781 6.76099 -31.3923 CC32A 10445 10449 10450 10451 -0.01 10451 10449 H1B SLES 1 -15.6356 5.81043 -31.5876 HCA2 10448 0 0 0 0.09 10452 10450 H1A SLES 1 -15.4365 7.57825 -31.2886 HCA2 10448 0 0 0 0.09 10453 10451 O1 SLES 1 -16.6535 6.50581 -30.0316 OC30A 10448 10452 0 0 -0.34 10454 10452 C1 SLES 1 -15.7178 6.89579 -28.9609 CTL2 10451 10453 10454 10455 -0.18 10455 10453 H11 SLES 1 -14.7525 7.13486 -29.4427 HAL2 10452 0 0 0 0.09 10456 10454 H12 SLES 1 -16.1795 7.83884 -28.602 HAL2 10452 0 0 0 0.09 10457 10455 C2 SLES 1 -15.4747 5.92079 -27.7417 CTL2 10452 10456 10457 10458 -0.18 10458 10456 H21 SLES 1 -16.0636 4.98918 -27.8969 HAL2 10455 0 0 0 0.09 10459 10457 H22 SLES 1 -15.8417 6.40693 -26.8114 HAL2 10455 0 0 0 0.09 10460 10458 C3 SLES 1 -13.9259 5.5376 -27.5599 CTL2 10455 10459 10460 10461 -0.18 10461 10459 H31 SLES 1 -13.7625 4.50428 -27.9391 HAL2 10458 0 0 0 0.09 10462 10460 H32 SLES 1 -13.3092 6.22572 -28.1717 HAL2 10458 0 0 0 0.09 10463 10461 C4 SLES 1 -13.4411 5.61474 -26.0528 CTL2 10458 10462 10463 10464 -0.18 10464 10462 H41 SLES 1 -13.3885 4.58615 -25.6388 HAL2 10461 0 0 0 0.09 10465 10463 H42 SLES 1 -14.1869 6.18523 -25.4583 HAL2 10461 0 0 0 0.09 10466 10464 C5 SLES 1 -12.0145 6.31235 -25.9013 CTL2 10461 10465 10466 10467 -0.18 10467 10465 H51 SLES 1 -11.5027 6.31036 -26.8889 HAL2 10464 0 0 0 0.09 10468 10466 H52 SLES 1 -12.1603 7.37302 -25.5936 HAL2 10464 0 0 0 0.09 10469 10467 C6 SLES 1 -11.0898 5.5956 -24.8466 CTL2 10464 10468 10469 10470 -0.18 10470 10468 H61 SLES 1 -10.7449 4.62436 -25.2671 HAL2 10467 0 0 0 0.09 10471 10469 H62 SLES 1 -10.1904 6.22902 -24.664 HAL2 10467 0 0 0 0.09 10472 10470 C7 SLES 1 -11.8118 5.33425 -23.4869 CTL2 10467 10471 10472 10473 -0.18 10473 10471 H71 SLES 1 -12.4347 4.41689 -23.5775 HAL2 10470 0 0 0 0.09 10474 10472 H72 SLES 1 -12.489 6.18875 -23.2643 HAL2 10470 0 0 0 0.09 10475 10473 C8 SLES 1 -10.821 5.15546 -22.3097 CTL2 10470 10474 10475 10476 -0.18 10476 10474 H81 SLES 1 -10.007 4.4612 -22.621 HAL2 10473 0 0 0 0.09 10477 10475 H82 SLES 1 -10.3599 6.14049 -22.0694 HAL2 10473 0 0 0 0.09 10478 10476 C9 SLES 1 -11.5068 4.59389 -21.0391 CTL2 10473 10477 10478 10479 -0.18 10479 10477 H91 SLES 1 -11.9929 3.62316 -21.2877 HAL2 10476 0 0 0 0.09 10480 10478 H92 SLES 1 -12.3014 5.30207 -20.7126 HAL2 10476 0 0 0 0.09 10481 10479 C10 SLES 1 -10.5142 4.37651 -19.8726 CTL2 10476 10480 10481 10482 -0.18 10482 10480 H10 SLES 1 -9.73218 3.65002 -20.1911 HAL2 10479 0 0 0 0.09 10483 10481 H10 SLES 1 -10.0115 5.34212 -19.6381 HAL2 10479 0 0 0 0.09 10484 10482 C11 SLES 1 -11.2097 3.84312 -18.592 CTL2 10479 10483 10484 10485 -0.18 10485 10483 H11 SLES 1 -11.705 2.87403 -18.83 HAL2 10482 0 0 0 0.09 10486 10484 H11 SLES 1 -12.0026 4.56395 -18.2878 HAL2 10482 0 0 0 0.09 10487 10485 C12 SLES 1 -10.243 3.63037 -17.3983 CTL3 10482 10486 10487 10488 -0.27 10488 10486 H12 SLES 1 -10.2594 2.5669 -17.0726 HAL3 10485 0 0 0 0.09 10489 10487 H12 SLES 1 -10.544 4.269 -16.5387 HAL3 10485 0 0 0 0.09 10490 10488 H12 SLES 1 -9.20348 3.89569 -17.6899 HAL3 10485 0 0 0 0.09 10491 10489 NA SLES 1 -14.6545 18.1831 -37.506 NA 0 0 0 0 1 10492 10490 S SLES 1 -12.0872 15.6369 -38.0316 SL 10491 10492 10493 10494 1.33 10493 10491 OS1 SLES 1 -12.6146 16.1531 -36.5273 OSL 10490 10495 0 0 -0.28 10494 10492 OS2 SLES 1 -13.258 15.1458 -38.7284 O2L 10490 0 0 0 -0.65 10495 10493 OS3 SLES 1 -11.5717 16.8118 -38.7027 O2L 10490 0 0 0 -0.65 10496 10494 OS4 SLES 1 -11.0656 14.6029 -37.9898 O2L 10490 0 0 0 -0.65 10497 10495 C2 SLES 1 -12.0503 15.2842 -35.4564 CC32A 10491 10496 10497 10498 -0.11 10498 10496 H2A SLES 1 -12.304 14.2041 -35.6465 HCA2 10495 0 0 0 0.09 10499 10497 H2B SLES 1 -10.9311 15.4007 -35.4546 HCA2 10495 0 0 0 0.09 10500 10498 C1 SLES 1 -12.6436 15.7371 -34.0391 CC32A 10495 10499 10500 10501 -0.01 10501 10499 H1B SLES 1 -13.7572 15.7069 -34.0671 HCA2 10498 0 0 0 0.09 10502 10500 H1A SLES 1 -12.3181 16.7779 -33.8064 HCA2 10498 0 0 0 0.09 10503 10501 O1 SLES 1 -12.3188 14.9711 -32.8202 OC30A 10498 10502 0 0 -0.34 10504 10502 C2 SLES 1 -11.1719 14.0981 -32.893 CC32A 10501 10503 10504 10505 -0.01 10505 10503 H2A SLES 1 -11.4697 13.4017 -33.7013 HCA2 10502 0 0 0 0.09 10506 10504 H2B SLES 1 -10.3782 14.7767 -33.2786 HCA2 10502 0 0 0 0.09 10507 10505 C1 SLES 1 -10.6213 13.2828 -31.6809 CC32A 10502 10506 10507 10508 -0.01 10508 10506 H1B SLES 1 -11.1021 12.2807 -31.6534 HCA2 10505 0 0 0 0.09 10509 10507 H1A SLES 1 -9.52718 13.1487 -31.7968 HCA2 10505 0 0 0 0.09 10510 10508 O1 SLES 1 -10.8074 13.6907 -30.2874 OC30A 10505 10509 0 0 -0.34 10511 10509 C1 SLES 1 -9.73408 13.273 -29.3668 CTL2 10508 10510 10511 10512 -0.18 10512 10510 H11 SLES 1 -9.09251 12.5604 -29.9162 HAL2 10509 0 0 0 0.09 10513 10511 H12 SLES 1 -9.17808 14.2243 -29.2358 HAL2 10509 0 0 0 0.09 10514 10512 C2 SLES 1 -10.106 12.6711 -27.9541 CTL2 10509 10513 10514 10515 -0.18 10515 10513 H21 SLES 1 -11.2136 12.6098 -27.8642 HAL2 10512 0 0 0 0.09 10516 10514 H22 SLES 1 -9.73533 13.3562 -27.1605 HAL2 10512 0 0 0 0.09 10517 10515 C3 SLES 1 -9.47986 11.2105 -27.7236 CTL2 10512 10516 10517 10518 -0.18 10518 10516 H31 SLES 1 -10.283 10.4499 -27.8451 HAL2 10515 0 0 0 0.09 10519 10517 H32 SLES 1 -8.71143 11.0203 -28.4992 HAL2 10515 0 0 0 0.09 10520 10518 C4 SLES 1 -8.82029 11.0377 -26.2928 CTL2 10515 10519 10520 10521 -0.18 10521 10519 H41 SLES 1 -9.51498 10.4652 -25.6433 HAL2 10518 0 0 0 0.09 10522 10520 H42 SLES 1 -8.67197 12.0398 -25.8358 HAL2 10518 0 0 0 0.09 10523 10521 C5 SLES 1 -7.41676 10.2817 -26.3505 CTL2 10518 10522 10523 10524 -0.18 10524 10522 H51 SLES 1 -7.33371 9.74378 -27.3207 HAL2 10521 0 0 0 0.09 10525 10523 H52 SLES 1 -6.59708 11.0347 -26.3056 HAL2 10521 0 0 0 0.09 10526 10524 C6 SLES 1 -7.22763 9.24804 -25.177 CTL2 10521 10525 10526 10527 -0.18 10527 10525 H61 SLES 1 -7.88616 8.36904 -25.358 HAL2 10524 0 0 0 0.09 10528 10526 H62 SLES 1 -6.1713 8.89081 -25.1759 HAL2 10524 0 0 0 0.09 10529 10527 C7 SLES 1 -7.56064 9.85408 -23.777 CTL2 10524 10528 10529 10530 -0.18 10530 10528 H71 SLES 1 -8.66288 9.83638 -23.6269 HAL2 10527 0 0 0 0.09 10531 10529 H72 SLES 1 -7.22744 10.9155 -23.7512 HAL2 10527 0 0 0 0.09 10532 10530 C8 SLES 1 -6.88243 9.08386 -22.6166 CTL2 10527 10531 10532 10533 -0.18 10533 10531 H81 SLES 1 -7.02922 7.99018 -22.7706 HAL2 10530 0 0 0 0.09 10534 10532 H82 SLES 1 -5.78797 9.28995 -22.6338 HAL2 10530 0 0 0 0.09 10535 10533 C9 SLES 1 -7.45076 9.48068 -21.231 CTL2 10530 10534 10535 10536 -0.18 10536 10534 H91 SLES 1 -8.55003 9.30207 -21.2248 HAL2 10533 0 0 0 0.09 10537 10535 H92 SLES 1 -7.2786 10.5682 -21.0662 HAL2 10533 0 0 0 0.09 10538 10536 C10 SLES 1 -6.80426 8.68595 -20.0718 CTL2 10533 10537 10538 10539 -0.18 10539 10537 H10 SLES 1 -6.99643 7.59939 -20.2242 HAL2 10536 0 0 0 0.09 10540 10538 H10 SLES 1 -5.70248 8.84641 -20.0909 HAL2 10536 0 0 0 0.09 10541 10539 C11 SLES 1 -7.35374 9.10768 -18.6832 CTL2 10536 10540 10541 10542 -0.18 10542 10540 H11 SLES 1 -8.45481 8.93889 -18.6668 HAL2 10539 0 0 0 0.09 10543 10541 H11 SLES 1 -7.17539 10.1983 -18.543 HAL2 10539 0 0 0 0.09 10544 10542 C12 SLES 1 -6.7128 8.34014 -17.498 CTL3 10539 10543 10544 10545 -0.27 10545 10543 H12 SLES 1 -7.49342 7.79386 -16.924 HAL3 10542 0 0 0 0.09 10546 10544 H12 SLES 1 -6.19868 9.04854 -16.8116 HAL3 10542 0 0 0 0.09 10547 10545 H12 SLES 1 -5.96743 7.60437 -17.8711 HAL3 10542 0 0 0 0.09 10548 10546 NA SLES 1 -2.24273 22.4019 -38.0159 NA 0 0 0 0 1 10549 10547 S SLES 1 -3.04627 18.8551 -38.3695 SL 10548 10549 10550 10551 1.33 10550 10548 OS1 SLES 1 -2.54971 19.5754 -36.9405 OSL 10547 10552 0 0 -0.28 10551 10549 OS2 SLES 1 -4.2407 19.5591 -38.7881 O2L 10547 0 0 0 -0.65 10552 10550 OS3 SLES 1 -1.98192 19.0802 -39.325 O2L 10547 0 0 0 -0.65 10553 10551 OS4 SLES 1 -3.3223 17.4315 -38.2626 O2L 10547 0 0 0 -0.65 10554 10552 C2 SLES 1 -2.68974 18.6204 -35.8053 CC32A 10548 10553 10554 10555 -0.11 10555 10553 H2A SLES 1 -3.74464 18.233 -35.7401 HCA2 10552 0 0 0 0.09 10556 10554 H2B SLES 1 -1.99345 17.7538 -35.9796 HCA2 10552 0 0 0 0.09 10557 10555 C1 SLES 1 -2.30067 19.3606 -34.439 CC32A 10552 10556 10557 10558 -0.01 10558 10556 H1B SLES 1 -2.93055 20.2705 -34.3082 HCA2 10555 0 0 0 0.09 10559 10557 H1A SLES 1 -1.22876 19.6664 -34.4649 HCA2 10555 0 0 0 0.09 10560 10558 O1 SLES 1 -2.45073 18.6614 -33.1481 OC30A 10555 10559 0 0 -0.34 10561 10559 C2 SLES 1 -2.55699 17.2232 -33.2015 CC32A 10558 10560 10561 10562 -0.01 10562 10560 H2A SLES 1 -3.47476 17.0874 -33.8066 HCA2 10559 0 0 0 0.09 10563 10561 H2B SLES 1 -1.67502 16.9405 -33.8192 HCA2 10559 0 0 0 0.09 10564 10562 C1 SLES 1 -2.62704 16.3089 -31.9381 CC32A 10559 10563 10564 10565 -0.01 10565 10563 H1B SLES 1 -3.68844 16.1529 -31.6463 HCA2 10562 0 0 0 0.09 10566 10564 H1A SLES 1 -2.1751 15.3245 -32.1733 HCA2 10562 0 0 0 0.09 10567 10565 O1 SLES 1 -2.06116 16.6855 -30.6416 OC30A 10562 10566 0 0 -0.34 10568 10566 C1 SLES 1 -1.59935 15.5577 -29.8117 CTL2 10565 10567 10568 10569 -0.18 10569 10567 H11 SLES 1 -1.9627 14.6304 -30.2905 HAL2 10566 0 0 0 0.09 10570 10568 H12 SLES 1 -0.500249 15.6223 -29.9498 HAL2 10566 0 0 0 0.09 10571 10569 C2 SLES 1 -1.9445 15.5286 -28.2702 CTL2 10566 10570 10571 10572 -0.18 10572 10570 H21 SLES 1 -2.56779 16.416 -28.0194 HAL2 10569 0 0 0 0.09 10573 10571 H22 SLES 1 -1.00018 15.5977 -27.687 HAL2 10569 0 0 0 0.09 10574 10572 C3 SLES 1 -2.73221 14.1967 -27.8412 CTL2 10569 10573 10574 10575 -0.18 10575 10573 H31 SLES 1 -3.80781 14.4434 -27.6979 HAL2 10572 0 0 0 0.09 10576 10574 H32 SLES 1 -2.66 13.4544 -28.6609 HAL2 10572 0 0 0 0.09 10577 10575 C4 SLES 1 -2.17185 13.5474 -26.5083 CTL2 10572 10576 10577 10578 -0.18 10578 10576 H41 SLES 1 -2.85109 13.8057 -25.6692 HAL2 10575 0 0 0 0.09 10579 10577 H42 SLES 1 -1.17222 13.9783 -26.2846 HAL2 10575 0 0 0 0.09 10580 10578 C5 SLES 1 -2.04196 11.9604 -26.6055 CTL2 10575 10579 10580 10581 -0.18 10581 10579 H51 SLES 1 -2.66606 11.5961 -27.4512 HAL2 10578 0 0 0 0.09 10582 10580 H52 SLES 1 -0.982057 11.696 -26.8237 HAL2 10578 0 0 0 0.09 10583 10581 C6 SLES 1 -2.49205 11.2259 -25.2867 CTL2 10578 10582 10583 10584 -0.18 10584 10582 H61 SLES 1 -3.59993 11.2868 -25.1974 HAL2 10581 0 0 0 0.09 10585 10583 H62 SLES 1 -2.21244 10.1488 -25.3587 HAL2 10581 0 0 0 0.09 10586 10584 C7 SLES 1 -1.84352 11.8345 -24.0032 CTL2 10581 10585 10586 10587 -0.18 10587 10585 H71 SLES 1 -2.41419 12.7413 -23.7036 HAL2 10584 0 0 0 0.09 10588 10586 H72 SLES 1 -0.800655 12.146 -24.2351 HAL2 10584 0 0 0 0.09 10589 10587 C8 SLES 1 -1.82104 10.8392 -22.8165 CTL2 10584 10588 10589 10590 -0.18 10590 10588 H81 SLES 1 -2.8207 10.3552 -22.7281 HAL2 10587 0 0 0 0.09 10591 10589 H82 SLES 1 -1.07026 10.0429 -23.0236 HAL2 10587 0 0 0 0.09 10592 10590 C9 SLES 1 -1.47154 11.5277 -21.4733 CTL2 10587 10591 10592 10593 -0.18 10593 10591 H91 SLES 1 -2.20533 12.3432 -21.2815 HAL2 10590 0 0 0 0.09 10594 10592 H92 SLES 1 -0.460607 11.9871 -21.5533 HAL2 10590 0 0 0 0.09 10595 10593 C10 SLES 1 -1.48617 10.5451 -20.2784 CTL2 10590 10594 10595 10596 -0.18 10596 10594 H10 SLES 1 -2.5041 10.1028 -20.1837 HAL2 10593 0 0 0 0.09 10597 10595 H10 SLES 1 -0.768801 9.71746 -20.4793 HAL2 10593 0 0 0 0.09 10598 10596 C11 SLES 1 -1.1057 11.2317 -18.9398 CTL2 10593 10597 10598 10599 -0.18 10599 10597 H11 SLES 1 -1.83007 12.0542 -18.7399 HAL2 10596 0 0 0 0.09 10600 10598 H11 SLES 1 -0.0948664 11.6878 -19.0452 HAL2 10596 0 0 0 0.09 10601 10599 C12 SLES 1 -1.09509 10.2688 -17.7244 CTL3 10596 10600 10601 10602 -0.27 10602 10600 H12 SLES 1 -1.81754 10.6134 -16.9519 HAL3 10599 0 0 0 0.09 10603 10601 H12 SLES 1 -0.0806753 10.2317 -17.2695 HAL3 10599 0 0 0 0.09 10604 10602 H12 SLES 1 -1.37883 9.2417 -18.0417 HAL3 10599 0 0 0 0.09 10605 10603 NA SLES 1 9.91147 18.6479 -38.8085 NA 0 0 0 0 1 10606 10604 S SLES 1 6.46034 17.4655 -38.6035 SL 10605 10606 10607 10608 1.33 10607 10605 OS1 SLES 1 7.60584 17.2563 -37.3988 OSL 10604 10609 0 0 -0.28 10608 10606 OS2 SLES 1 6.36051 18.8926 -38.8287 O2L 10604 0 0 0 -0.65 10609 10607 OS3 SLES 1 6.99358 16.8171 -39.7833 O2L 10604 0 0 0 -0.65 10610 10608 OS4 SLES 1 5.1492 16.9207 -38.2896 O2L 10604 0 0 0 -0.65 10611 10609 C2 SLES 1 6.96536 16.7192 -36.1652 CC32A 10605 10610 10611 10612 -0.11 10612 10610 H2A SLES 1 6.11983 17.3849 -35.8348 HCA2 10609 0 0 0 0.09 10613 10611 H2B SLES 1 6.55617 15.6958 -36.3918 HCA2 10609 0 0 0 0.09 10614 10612 C1 SLES 1 8.06038 16.6184 -35.0005 CC32A 10609 10613 10614 10615 -0.01 10615 10613 H1B SLES 1 8.53063 17.615 -34.8349 HCA2 10612 0 0 0 0.09 10616 10614 H1A SLES 1 8.85407 15.8899 -35.2877 HCA2 10612 0 0 0 0.09 10617 10615 O1 SLES 1 7.66085 16.2071 -33.6407 OC30A 10612 10616 0 0 -0.34 10618 10616 C2 SLES 1 6.39088 15.5329 -33.5173 CC32A 10615 10617 10618 10619 -0.01 10619 10617 H2A SLES 1 5.68936 16.3029 -33.8937 HCA2 10616 0 0 0 0.09 10620 10618 H2B SLES 1 6.47491 14.7226 -34.276 HCA2 10616 0 0 0 0.09 10621 10619 C1 SLES 1 5.84596 14.943 -32.1785 CC32A 10616 10620 10621 10622 -0.01 10622 10620 H1B SLES 1 5.23717 15.7094 -31.6511 HCA2 10619 0 0 0 0.09 10623 10621 H1A SLES 1 5.20198 14.0683 -32.3993 HCA2 10619 0 0 0 0.09 10624 10622 O1 SLES 1 6.71157 14.5086 -31.0808 OC30A 10619 10623 0 0 -0.34 10625 10623 C1 SLES 1 6.16891 13.4148 -30.2543 CTL2 10622 10624 10625 10626 -0.18 10626 10624 H11 SLES 1 5.11049 13.2824 -30.5431 HAL2 10623 0 0 0 0.09 10627 10625 H12 SLES 1 6.75146 12.5487 -30.6308 HAL2 10623 0 0 0 0.09 10628 10626 C2 SLES 1 6.28315 13.4935 -28.6805 CTL2 10623 10627 10628 10629 -0.18 10629 10627 H21 SLES 1 6.76221 14.4575 -28.3975 HAL2 10626 0 0 0 0.09 10630 10628 H22 SLES 1 6.93766 12.6683 -28.3239 HAL2 10626 0 0 0 0.09 10631 10629 C3 SLES 1 4.85534 13.3847 -27.9538 CTL2 10626 10630 10631 10632 -0.18 10632 10630 H31 SLES 1 4.54662 14.3972 -27.6104 HAL2 10629 0 0 0 0.09 10633 10631 H32 SLES 1 4.10314 13.0303 -28.6865 HAL2 10629 0 0 0 0.09 10634 10632 C4 SLES 1 4.86577 12.4013 -26.7108 CTL2 10629 10633 10634 10635 -0.18 10635 10633 H41 SLES 1 4.90892 13.0013 -25.7779 HAL2 10632 0 0 0 0.09 10636 10634 H42 SLES 1 5.77853 11.7688 -26.7535 HAL2 10632 0 0 0 0.09 10637 10635 C5 SLES 1 3.58181 11.4558 -26.6647 CTL2 10632 10636 10637 10638 -0.18 10638 10636 H51 SLES 1 2.78863 11.8886 -27.3136 HAL2 10635 0 0 0 0.09 10639 10637 H52 SLES 1 3.85246 10.4564 -27.0757 HAL2 10635 0 0 0 0.09 10640 10638 C6 SLES 1 3.0064 11.2726 -25.2098 CTL2 10635 10639 10640 10641 -0.18 10641 10639 H61 SLES 1 2.51469 12.2194 -24.8923 HAL2 10638 0 0 0 0.09 10642 10640 H62 SLES 1 2.23067 10.4717 -25.2254 HAL2 10638 0 0 0 0.09 10643 10641 C7 SLES 1 4.10573 10.8951 -24.1671 CTL2 10638 10642 10643 10644 -0.18 10644 10642 H71 SLES 1 4.63767 11.8193 -23.85 HAL2 10641 0 0 0 0.09 10645 10643 H72 SLES 1 4.84762 10.2198 -24.6488 HAL2 10641 0 0 0 0.09 10646 10644 C8 SLES 1 3.52418 10.1942 -22.9141 CTL2 10641 10645 10646 10647 -0.18 10647 10645 H81 SLES 1 2.63038 10.7591 -22.5627 HAL2 10644 0 0 0 0.09 10648 10646 H82 SLES 1 3.19488 9.16702 -23.1916 HAL2 10644 0 0 0 0.09 10649 10647 C9 SLES 1 4.55112 10.1016 -21.7577 CTL2 10644 10648 10649 10650 -0.18 10650 10648 H91 SLES 1 4.90207 11.1269 -21.5008 HAL2 10647 0 0 0 0.09 10651 10649 H92 SLES 1 5.43175 9.51316 -22.1008 HAL2 10647 0 0 0 0.09 10652 10650 C10 SLES 1 3.96317 9.43761 -20.4901 CTL2 10647 10651 10652 10653 -0.18 10653 10651 H10 SLES 1 3.09635 10.0393 -20.1332 HAL2 10650 0 0 0 0.09 10654 10652 H10 SLES 1 3.5919 8.42074 -20.7512 HAL2 10650 0 0 0 0.09 10655 10653 C11 SLES 1 5.0033 9.31873 -19.3447 CTL2 10650 10654 10655 10656 -0.18 10656 10654 H11 SLES 1 5.36645 10.3388 -19.0826 HAL2 10653 0 0 0 0.09 10657 10655 H11 SLES 1 5.87589 8.73175 -19.7121 HAL2 10653 0 0 0 0.09 10658 10656 C12 SLES 1 4.44872 8.64154 -18.0647 CTL3 10653 10657 10658 10659 -0.27 10659 10657 H12 SLES 1 4.52877 9.3322 -17.1964 HAL3 10656 0 0 0 0.09 10660 10658 H12 SLES 1 5.02372 7.71709 -17.8364 HAL3 10656 0 0 0 0.09 10661 10659 H12 SLES 1 3.3798 8.36883 -18.2031 HAL3 10656 0 0 0 0.09 10662 10660 NA SLES 1 16.9254 9.17265 -39.7678 NA 0 0 0 0 1 10663 10661 S SLES 1 14.2423 11.4438 -38.7712 SL 10662 10663 10664 10665 1.33 10664 10662 OS1 SLES 1 14.7445 10.1206 -37.8744 OSL 10661 10666 0 0 -0.28 10665 10663 OS2 SLES 1 15.408 12.2855 -38.945 O2L 10661 0 0 0 -0.65 10666 10664 OS3 SLES 1 13.8156 10.923 -40.0531 O2L 10661 0 0 0 -0.65 10667 10665 OS4 SLES 1 13.1648 12.209 -38.1647 O2L 10661 0 0 0 -0.65 10668 10666 C2 SLES 1 14.0966 10.1305 -36.5326 CC32A 10662 10667 10668 10669 -0.11 10669 10667 H2A SLES 1 14.2972 11.1028 -36.0019 HCA2 10666 0 0 0 0.09 10670 10668 H2B SLES 1 12.986 10.0136 -36.6714 HCA2 10666 0 0 0 0.09 10671 10669 C1 SLES 1 14.664 8.91223 -35.6611 CC32A 10666 10670 10671 10672 -0.01 10672 10670 H1B SLES 1 15.7746 8.97737 -35.5964 HCA2 10669 0 0 0 0.09 10673 10671 H1A SLES 1 14.3882 7.94315 -36.1385 HCA2 10669 0 0 0 0.09 10674 10672 O1 SLES 1 14.2555 8.75519 -34.2517 OC30A 10669 10673 0 0 -0.34 10675 10673 C2 SLES 1 13.0658 9.46182 -33.842 CC32A 10672 10674 10675 10676 -0.01 10676 10674 H2A SLES 1 13.3529 10.5149 -34.0305 HCA2 10673 0 0 0 0.09 10677 10675 H2B SLES 1 12.3243 9.14901 -34.6112 HCA2 10673 0 0 0 0.09 10678 10676 C1 SLES 1 12.4295 9.34272 -32.4213 CC32A 10673 10677 10678 10679 -0.01 10679 10677 H1B SLES 1 12.8534 10.1242 -31.7537 HCA2 10676 0 0 0 0.09 10680 10678 H1A SLES 1 11.3343 9.49609 -32.4969 HCA2 10676 0 0 0 0.09 10681 10679 O1 SLES 1 12.589 8.16569 -31.5658 OC30A 10676 10680 0 0 -0.34 10682 10680 C1 SLES 1 11.463 7.90267 -30.651 CTL2 10679 10681 10682 10683 -0.18 10683 10681 H11 SLES 1 10.8029 8.78831 -30.6835 HAL2 10680 0 0 0 0.09 10684 10682 H12 SLES 1 10.9557 7.06166 -31.1673 HAL2 10680 0 0 0 0.09 10685 10683 C2 SLES 1 11.752 7.51187 -29.1476 CTL2 10680 10684 10685 10686 -0.18 10686 10684 H21 SLES 1 12.8508 7.52844 -28.9714 HAL2 10683 0 0 0 0.09 10687 10685 H22 SLES 1 11.392 6.47515 -28.9681 HAL2 10683 0 0 0 0.09 10688 10686 C3 SLES 1 11.0391 8.50459 -28.1061 CTL2 10683 10687 10688 10689 -0.18 10689 10687 H31 SLES 1 11.8031 9.1951 -27.6844 HAL2 10686 0 0 0 0.09 10690 10688 H32 SLES 1 10.2889 9.1164 -28.6456 HAL2 10686 0 0 0 0.09 10691 10689 C4 SLES 1 10.3217 7.74291 -26.9156 CTL2 10686 10690 10691 10692 -0.18 10692 10690 H41 SLES 1 10.9609 7.80721 -26.0104 HAL2 10689 0 0 0 0.09 10693 10691 H42 SLES 1 10.2127 6.66955 -27.1821 HAL2 10689 0 0 0 0.09 10694 10692 C5 SLES 1 8.8817 8.34273 -26.5817 CTL2 10689 10693 10694 10695 -0.18 10695 10693 H51 SLES 1 8.80314 9.36286 -27.0183 HAL2 10692 0 0 0 0.09 10696 10694 H52 SLES 1 8.10344 7.70505 -27.0598 HAL2 10692 0 0 0 0.09 10697 10695 C6 SLES 1 8.5955 8.42697 -25.035 CTL2 10692 10696 10697 10698 -0.18 10698 10696 H61 SLES 1 9.21079 9.24422 -24.5961 HAL2 10695 0 0 0 0.09 10699 10697 H62 SLES 1 7.52178 8.68433 -24.8789 HAL2 10695 0 0 0 0.09 10700 10698 C7 SLES 1 8.91227 7.09327 -24.2872 CTL2 10695 10699 10700 10701 -0.18 10701 10699 H71 SLES 1 10.006 7.03837 -24.0909 HAL2 10698 0 0 0 0.09 10702 10700 H72 SLES 1 8.63702 6.23549 -24.9405 HAL2 10698 0 0 0 0.09 10703 10701 C8 SLES 1 8.1529 6.96796 -22.9428 CTL2 10698 10702 10703 10704 -0.18 10704 10702 H81 SLES 1 8.24483 7.92625 -22.3819 HAL2 10701 0 0 0 0.09 10705 10703 H82 SLES 1 7.07263 6.7928 -23.1501 HAL2 10701 0 0 0 0.09 10706 10704 C9 SLES 1 8.69352 5.81279 -22.0633 CTL2 10701 10705 10706 10707 -0.18 10707 10705 H91 SLES 1 9.78048 5.97315 -21.8812 HAL2 10704 0 0 0 0.09 10708 10706 H92 SLES 1 8.57557 4.85208 -22.6134 HAL2 10704 0 0 0 0.09 10709 10707 C10 SLES 1 7.9645 5.7081 -20.7028 CTL2 10704 10708 10709 10710 -0.18 10710 10708 H10 SLES 1 8.10205 6.66081 -20.1422 HAL2 10707 0 0 0 0.09 10711 10709 H10 SLES 1 6.8745 5.56991 -20.884 HAL2 10707 0 0 0 0.09 10712 10710 C11 SLES 1 8.48758 4.5311 -19.8373 CTL2 10707 10711 10712 10713 -0.18 10713 10711 H11 SLES 1 9.57651 4.6775 -19.6532 HAL2 10710 0 0 0 0.09 10714 10712 H11 SLES 1 8.36447 3.58304 -20.4091 HAL2 10710 0 0 0 0.09 10715 10713 C12 SLES 1 7.76468 4.38915 -18.4728 CTL3 10710 10714 10715 10716 -0.27 10716 10714 H12 SLES 1 8.49375 4.48121 -17.6378 HAL3 10713 0 0 0 0.09 10717 10715 H12 SLES 1 7.26656 3.39717 -18.4007 HAL3 10713 0 0 0 0.09 10718 10716 H12 SLES 1 6.99357 5.18195 -18.359 HAL3 10713 0 0 0 0.09 10719 10717 NA SLES 1 17.1052 -1.21667 -40.7187 NA 0 0 0 0 1 10720 10718 S SLES 1 17.8272 1.88722 -38.9312 SL 10719 10720 10721 10722 1.33 10721 10719 OS1 SLES 1 16.8697 0.650073 -38.3313 OSL 10718 10723 0 0 -0.28 10722 10720 OS2 SLES 1 19.1212 1.30153 -39.214 O2L 10718 0 0 0 -0.65 10723 10721 OS3 SLES 1 17.2022 2.31871 -40.164 O2L 10718 0 0 0 -0.65 10724 10722 OS4 SLES 1 17.9819 3.01961 -38.0322 O2L 10718 0 0 0 -0.65 10725 10723 C2 SLES 1 16.5385 0.901202 -36.9003 CC32A 10719 10724 10725 10726 -0.11 10726 10724 H2A SLES 1 17.4767 1.04248 -36.2945 HCA2 10723 0 0 0 0.09 10727 10725 H2B SLES 1 15.9189 1.83832 -36.8363 HCA2 10723 0 0 0 0.09 10728 10726 C1 SLES 1 15.7048 -0.339086 -36.3238 CC32A 10723 10727 10728 10729 -0.01 10729 10727 H1B SLES 1 16.2808 -1.28229 -36.4668 HCA2 10726 0 0 0 0.09 10730 10728 H1A SLES 1 14.7328 -0.426465 -36.8629 HCA2 10726 0 0 0 0.09 10731 10729 O1 SLES 1 15.3366 -0.385273 -34.8954 OC30A 10726 10730 0 0 -0.34 10732 10730 C2 SLES 1 15.3923 0.863235 -34.1738 CC32A 10729 10731 10732 10733 -0.01 10733 10731 H2A SLES 1 16.4619 1.13352 -34.2733 HCA2 10730 0 0 0 0.09 10734 10732 H2B SLES 1 14.7896 1.54058 -34.8198 HCA2 10730 0 0 0 0.09 10735 10733 C1 SLES 1 14.9506 1.02789 -32.6855 CC32A 10730 10734 10735 10736 -0.01 10736 10734 H1B SLES 1 15.8212 0.858998 -32.015 HCA2 10733 0 0 0 0.09 10737 10735 H1A SLES 1 14.5752 2.0587 -32.5272 HCA2 10733 0 0 0 0.09 10738 10736 O1 SLES 1 13.9627 0.161586 -32.0402 OC30A 10733 10737 0 0 -0.34 10739 10737 C1 SLES 1 13.1783 0.801299 -30.9681 CTL2 10736 10738 10739 10740 -0.18 10740 10738 H11 SLES 1 13.6521 1.77666 -30.7552 HAL2 10737 0 0 0 0.09 10741 10739 H12 SLES 1 12.2119 0.98016 -31.4834 HAL2 10737 0 0 0 0.09 10742 10740 C2 SLES 1 12.9278 0.0267178 -29.6141 CTL2 10737 10741 10742 10743 -0.18 10743 10741 H21 SLES 1 13.4523 -0.954181 -29.6528 HAL2 10740 0 0 0 0.09 10744 10742 H22 SLES 1 11.8388 -0.171355 -29.5072 HAL2 10740 0 0 0 0.09 10745 10743 C3 SLES 1 13.4424 0.845944 -28.3325 CTL2 10740 10744 10745 10746 -0.18 10746 10744 H31 SLES 1 14.3986 0.400041 -27.9787 HAL2 10743 0 0 0 0.09 10747 10745 H32 SLES 1 13.6459 1.8936 -28.6312 HAL2 10743 0 0 0 0.09 10748 10746 C4 SLES 1 12.4014 0.844837 -27.1372 CTL2 10743 10747 10748 10749 -0.18 10749 10747 H41 SLES 1 12.7331 0.112167 -26.3722 HAL2 10746 0 0 0 0.09 10750 10748 H42 SLES 1 11.4097 0.517652 -27.5173 HAL2 10746 0 0 0 0.09 10751 10749 C5 SLES 1 12.2476 2.27868 -26.4552 CTL2 10746 10750 10751 10752 -0.18 10752 10750 H51 SLES 1 13.1236 2.90712 -26.7295 HAL2 10749 0 0 0 0.09 10753 10751 H52 SLES 1 11.3329 2.77381 -26.854 HAL2 10749 0 0 0 0.09 10754 10752 C6 SLES 1 12.1461 2.20371 -24.885 CTL2 10749 10753 10754 10755 -0.18 10755 10753 H61 SLES 1 13.1441 1.93905 -24.4691 HAL2 10752 0 0 0 0.09 10756 10754 H62 SLES 1 11.8662 3.20898 -24.4918 HAL2 10752 0 0 0 0.09 10757 10755 C7 SLES 1 11.0964 1.15639 -24.3956 CTL2 10752 10756 10757 10758 -0.18 10758 10756 H71 SLES 1 11.5548 0.143079 -24.4232 HAL2 10755 0 0 0 0.09 10759 10757 H72 SLES 1 10.2276 1.15949 -25.091 HAL2 10755 0 0 0 0.09 10760 10758 C8 SLES 1 10.5936 1.44209 -22.9585 CTL2 10755 10759 10760 10761 -0.18 10761 10759 H81 SLES 1 11.4678 1.66377 -22.3042 HAL2 10758 0 0 0 0.09 10762 10760 H82 SLES 1 9.93858 2.3428 -22.9745 HAL2 10758 0 0 0 0.09 10763 10761 C9 SLES 1 9.80288 0.251499 -22.3606 CTL2 10758 10762 10763 10764 -0.18 10764 10762 H91 SLES 1 10.4487 -0.655787 -22.3722 HAL2 10761 0 0 0 0.09 10765 10763 H92 SLES 1 8.91411 0.0486619 -22.9997 HAL2 10761 0 0 0 0.09 10766 10764 C10 SLES 1 9.33211 0.516568 -20.9109 CTL2 10761 10765 10766 10767 -0.18 10767 10765 H10 SLES 1 10.2227 0.696477 -20.2665 HAL2 10764 0 0 0 0.09 10768 10766 H10 SLES 1 8.70444 1.43625 -20.8948 HAL2 10764 0 0 0 0.09 10769 10767 C11 SLES 1 8.51423 -0.665457 -20.3262 CTL2 10764 10768 10769 10770 -0.18 10770 10768 H11 SLES 1 9.14856 -1.58121 -20.3381 HAL2 10767 0 0 0 0.09 10771 10769 H11 SLES 1 7.63482 -0.8531 -20.9837 HAL2 10767 0 0 0 0.09 10772 10770 C12 SLES 1 8.01332 -0.42337 -18.8788 CTL3 10767 10771 10772 10773 -0.27 10773 10771 H12 SLES 1 8.41348 -1.20467 -18.1956 HAL3 10770 0 0 0 0.09 10774 10772 H12 SLES 1 6.90203 -0.457198 -18.8436 HAL3 10770 0 0 0 0.09 10775 10773 H12 SLES 1 8.3492 0.571836 -18.5143 HAL3 10770 0 0 0 0.09 10776 10774 NA SLES 1 12.5073 -8.68536 -41.4755 NA 0 0 0 0 1 10777 10775 S SLES 1 15.3067 -8.37718 -39.1477 SL 10776 10777 10778 10779 1.33 10778 10776 OS1 SLES 1 13.7015 -8.12996 -38.7359 OSL 10775 10780 0 0 -0.28 10779 10777 OS2 SLES 1 15.3917 -9.72605 -39.6681 O2L 10775 0 0 0 -0.65 10780 10778 OS3 SLES 1 15.6046 -7.42503 -40.1971 O2L 10775 0 0 0 -0.65 10781 10779 OS4 SLES 1 16.2435 -8.21061 -38.048 O2L 10775 0 0 0 -0.65 10782 10780 C2 SLES 1 13.5643 -7.98147 -37.2596 CC32A 10776 10781 10782 10783 -0.11 10783 10781 H2A SLES 1 14.0058 -8.87029 -36.7283 HCA2 10780 0 0 0 0.09 10784 10782 H2B SLES 1 14.1174 -7.05479 -36.9409 HCA2 10780 0 0 0 0.09 10785 10783 C1 SLES 1 12.0137 -7.84238 -36.8828 CC32A 10780 10784 10785 10786 -0.01 10786 10784 H1B SLES 1 11.4481 -8.71857 -37.2755 HCA2 10783 0 0 0 0.09 10787 10785 H1A SLES 1 11.5952 -6.91289 -37.3346 HCA2 10783 0 0 0 0.09 10788 10786 O1 SLES 1 11.5967 -7.78167 -35.4685 OC30A 10783 10787 0 0 -0.34 10789 10787 C2 SLES 1 12.6204 -7.44793 -34.5076 CC32A 10786 10788 10789 10790 -0.01 10790 10788 H2A SLES 1 13.3402 -8.27814 -34.6475 HCA2 10787 0 0 0 0.09 10791 10789 H2B SLES 1 13.0576 -6.51814 -34.9362 HCA2 10787 0 0 0 0.09 10792 10790 C1 SLES 1 12.3497 -7.24577 -32.9834 CC32A 10787 10791 10792 10793 -0.01 10793 10791 H1B SLES 1 12.4767 -8.21207 -32.4484 HCA2 10790 0 0 0 0.09 10794 10792 H1A SLES 1 13.0779 -6.51605 -32.5761 HCA2 10790 0 0 0 0.09 10795 10793 O1 SLES 1 11.0537 -6.82781 -32.4462 OC30A 10790 10794 0 0 -0.34 10796 10794 C1 SLES 1 11.1188 -6.0516 -31.1943 CTL2 10793 10795 10796 10797 -0.18 10797 10795 H11 SLES 1 12.1585 -6.11486 -30.8253 HAL2 10794 0 0 0 0.09 10798 10796 H12 SLES 1 10.9356 -5.02265 -31.5671 HAL2 10794 0 0 0 0.09 10799 10797 C2 SLES 1 10.1175 -6.38089 -30.0174 CTL2 10794 10798 10799 10800 -0.18 10800 10798 H21 SLES 1 9.48038 -7.24471 -30.3117 HAL2 10797 0 0 0 0.09 10801 10799 H22 SLES 1 9.45231 -5.50506 -29.8531 HAL2 10797 0 0 0 0.09 10802 10800 C3 SLES 1 10.8748 -6.7317 -28.6455 CTL2 10797 10801 10802 10803 -0.18 10803 10801 H31 SLES 1 10.8409 -7.83238 -28.4854 HAL2 10800 0 0 0 0.09 10804 10802 H32 SLES 1 11.9386 -6.43366 -28.7336 HAL2 10800 0 0 0 0.09 10805 10803 C4 SLES 1 10.2408 -6.00913 -27.3853 CTL2 10800 10804 10805 10806 -0.18 10806 10804 H41 SLES 1 9.61876 -6.7396 -26.8271 HAL2 10803 0 0 0 0.09 10807 10805 H42 SLES 1 9.57684 -5.18785 -27.7312 HAL2 10803 0 0 0 0.09 10808 10806 C5 SLES 1 11.344 -5.40507 -26.404 CTL2 10803 10807 10808 10809 -0.18 10809 10807 H51 SLES 1 12.324 -5.88488 -26.6201 HAL2 10806 0 0 0 0.09 10810 10808 H52 SLES 1 11.4464 -4.31354 -26.6015 HAL2 10806 0 0 0 0.09 10811 10809 C6 SLES 1 10.9959 -5.61983 -24.8828 CTL2 10806 10810 10811 10812 -0.18 10812 10810 H61 SLES 1 11.1318 -6.69482 -24.6278 HAL2 10809 0 0 0 0.09 10813 10811 H62 SLES 1 11.7075 -5.02733 -24.2614 HAL2 10809 0 0 0 0.09 10814 10812 C7 SLES 1 9.53595 -5.19317 -24.5297 CTL2 10809 10813 10814 10815 -0.18 10815 10813 H71 SLES 1 8.83964 -6.01299 -24.814 HAL2 10812 0 0 0 0.09 10816 10814 H72 SLES 1 9.26634 -4.29188 -25.1241 HAL2 10812 0 0 0 0.09 10817 10815 C8 SLES 1 9.35394 -4.87788 -23.024 CTL2 10812 10816 10817 10818 -0.18 10818 10816 H81 SLES 1 9.83169 -5.68498 -22.4226 HAL2 10815 0 0 0 0.09 10819 10817 H82 SLES 1 9.87146 -3.92033 -22.7876 HAL2 10815 0 0 0 0.09 10820 10818 C9 SLES 1 7.86285 -4.76072 -22.62 CTL2 10815 10819 10820 10821 -0.18 10821 10819 H91 SLES 1 7.33965 -5.70781 -22.8839 HAL2 10818 0 0 0 0.09 10822 10820 H92 SLES 1 7.39317 -3.93549 -23.2013 HAL2 10818 0 0 0 0.09 10823 10821 C10 SLES 1 7.67451 -4.48471 -21.1095 CTL2 10818 10822 10823 10824 -0.18 10824 10822 H10 SLES 1 8.12382 -5.32187 -20.528 HAL2 10821 0 0 0 0.09 10825 10823 H10 SLES 1 8.21592 -3.54956 -20.8404 HAL2 10821 0 0 0 0.09 10826 10824 C11 SLES 1 6.18124 -4.33744 -20.714 CTL2 10821 10825 10826 10827 -0.18 10827 10825 H11 SLES 1 5.64559 -5.27769 -20.9788 HAL2 10824 0 0 0 0.09 10828 10826 H11 SLES 1 5.73191 -3.51115 -21.3109 HAL2 10824 0 0 0 0.09 10829 10827 C12 SLES 1 5.95974 -4.04343 -19.2076 CTL3 10824 10828 10829 10830 -0.27 10830 10828 H12 SLES 1 5.33664 -4.84078 -18.7458 HAL3 10827 0 0 0 0.09 10831 10829 H12 SLES 1 5.44152 -3.06795 -19.0764 HAL3 10827 0 0 0 0.09 10832 10830 H12 SLES 1 6.93422 -4.00158 -18.674 HAL3 10827 0 0 0 0.09 10833 10831 NA SLES 1 6.14172 -12.5911 -41.9026 NA 0 0 0 0 1 10834 10832 S SLES 1 6.96189 -15.1902 -39.469 SL 10833 10834 10835 10836 1.33 10835 10833 OS1 SLES 1 6.48469 -13.6349 -39.0683 OSL 10832 10837 0 0 -0.28 10836 10834 OS2 SLES 1 5.89767 -15.7484 -40.2773 O2L 10832 0 0 0 -0.65 10837 10835 OS3 SLES 1 8.1632 -15.0505 -40.2652 O2L 10832 0 0 0 -0.65 10838 10836 OS4 SLES 1 7.22214 -16.0535 -38.3281 O2L 10832 0 0 0 -0.65 10839 10837 C2 SLES 1 6.23837 -13.532 -37.6024 CC32A 10833 10838 10839 10840 -0.11 10840 10838 H2A SLES 1 5.48902 -14.3037 -37.2705 HCA2 10837 0 0 0 0.09 10841 10839 H2B SLES 1 7.20969 -13.712 -37.0635 HCA2 10837 0 0 0 0.09 10842 10840 C1 SLES 1 5.69247 -12.0659 -37.2583 CC32A 10837 10841 10842 10843 -0.01 10843 10841 H1B SLES 1 4.77821 -11.8514 -37.8582 HCA2 10840 0 0 0 0.09 10844 10842 H1A SLES 1 6.46944 -11.3046 -37.5028 HCA2 10840 0 0 0 0.09 10845 10843 O1 SLES 1 5.27509 -11.7341 -35.8823 OC30A 10840 10844 0 0 -0.34 10846 10844 C2 SLES 1 5.74926 -12.6072 -34.8357 CC32A 10843 10845 10846 10847 -0.01 10847 10845 H2A SLES 1 5.30696 -13.5778 -35.1342 HCA2 10844 0 0 0 0.09 10848 10846 H2B SLES 1 6.84539 -12.6383 -35.0277 HCA2 10844 0 0 0 0.09 10849 10847 C1 SLES 1 5.48997 -12.3633 -33.3156 CC32A 10844 10848 10849 10850 -0.01 10850 10848 H1B SLES 1 4.55105 -12.8734 -33.0086 HCA2 10847 0 0 0 0.09 10851 10849 H1A SLES 1 6.33092 -12.7841 -32.7288 HCA2 10847 0 0 0 0.09 10852 10850 O1 SLES 1 5.25544 -11.0365 -32.7435 OC30A 10847 10851 0 0 -0.34 10853 10851 C1 SLES 1 5.69954 -10.8722 -31.3472 CTL2 10850 10852 10853 10854 -0.18 10854 10852 H11 SLES 1 5.95449 -11.8776 -30.9658 HAL2 10851 0 0 0 0.09 10855 10853 H12 SLES 1 6.63745 -10.2953 -31.4841 HAL2 10851 0 0 0 0.09 10856 10854 C2 SLES 1 4.76317 -10.1339 -30.3107 CTL2 10851 10855 10856 10857 -0.18 10857 10855 H21 SLES 1 3.81111 -9.85383 -30.8146 HAL2 10854 0 0 0 0.09 10858 10856 H22 SLES 1 5.26171 -9.19785 -29.9762 HAL2 10854 0 0 0 0.09 10859 10857 C3 SLES 1 4.43015 -11.0406 -29.028 CTL2 10854 10858 10859 10860 -0.18 10860 10858 H31 SLES 1 3.3928 -11.4322 -29.1218 HAL2 10857 0 0 0 0.09 10861 10859 H32 SLES 1 5.12034 -11.9075 -29.0092 HAL2 10857 0 0 0 0.09 10862 10860 C4 SLES 1 4.55948 -10.2505 -27.66 CTL2 10857 10861 10862 10863 -0.18 10863 10861 H41 SLES 1 3.54364 -9.98037 -27.3033 HAL2 10860 0 0 0 0.09 10864 10862 H42 SLES 1 5.12275 -9.30851 -27.8345 HAL2 10860 0 0 0 0.09 10865 10863 C5 SLES 1 5.3021 -11.0965 -26.5297 CTL2 10860 10864 10865 10866 -0.18 10866 10864 H51 SLES 1 5.29014 -12.1718 -26.8143 HAL2 10863 0 0 0 0.09 10867 10865 H52 SLES 1 6.36549 -10.7697 -26.4719 HAL2 10863 0 0 0 0.09 10868 10866 C6 SLES 1 4.63957 -10.9378 -25.1094 CTL2 10863 10867 10868 10869 -0.18 10869 10867 H61 SLES 1 3.66852 -11.4819 -25.0992 HAL2 10866 0 0 0 0.09 10870 10868 H62 SLES 1 5.30343 -11.4065 -24.3458 HAL2 10866 0 0 0 0.09 10871 10869 C7 SLES 1 4.39164 -9.44605 -24.7203 CTL2 10866 10870 10871 10872 -0.18 10872 10870 H71 SLES 1 3.45446 -9.09528 -25.2066 HAL2 10869 0 0 0 0.09 10873 10871 H72 SLES 1 5.23132 -8.82525 -25.1049 HAL2 10869 0 0 0 0.09 10874 10872 C8 SLES 1 4.27169 -9.24057 -23.1897 CTL2 10869 10873 10874 10875 -0.18 10875 10873 H81 SLES 1 3.5939 -10.0188 -22.7697 HAL2 10872 0 0 0 0.09 10876 10874 H82 SLES 1 5.27554 -9.37155 -22.7252 HAL2 10872 0 0 0 0.09 10877 10875 C9 SLES 1 3.72258 -7.83929 -22.822 CTL2 10872 10876 10877 10878 -0.18 10878 10876 H91 SLES 1 2.73208 -7.69763 -23.311 HAL2 10875 0 0 0 0.09 10879 10877 H92 SLES 1 4.41524 -7.06279 -23.2179 HAL2 10875 0 0 0 0.09 10880 10878 C10 SLES 1 3.56385 -7.643 -21.2956 CTL2 10875 10879 10880 10881 -0.18 10881 10879 H10 SLES 1 2.85273 -8.40516 -20.903 HAL2 10878 0 0 0 0.09 10882 10880 H10 SLES 1 4.54937 -7.80628 -20.8036 HAL2 10878 0 0 0 0.09 10883 10881 C11 SLES 1 3.04287 -6.22791 -20.9295 CTL2 10878 10882 10883 10884 -0.18 10884 10882 H11 SLES 1 2.05401 -6.0721 -21.4184 HAL2 10881 0 0 0 0.09 10885 10883 H11 SLES 1 3.74765 -5.46898 -21.3397 HAL2 10881 0 0 0 0.09 10886 10884 C12 SLES 1 2.88869 -5.99394 -19.4044 CTL3 10881 10885 10886 10887 -0.27 10887 10885 H12 SLES 1 1.83377 -5.74282 -19.1566 HAL3 10884 0 0 0 0.09 10888 10886 H12 SLES 1 3.53976 -5.15457 -19.0743 HAL3 10884 0 0 0 0.09 10889 10887 H12 SLES 1 3.17684 -6.90834 -18.8414 HAL3 10884 0 0 0 0.09 10890 10888 NA SLES 1 -1.06844 -13.7558 -41.9728 NA 0 0 0 0 1 10891 10889 S SLES 1 -3.72319 -15.1833 -39.9076 SL 10890 10891 10892 10893 1.33 10892 10890 OS1 SLES 1 -2.51457 -14.1755 -39.3323 OSL 10889 10894 0 0 -0.28 10893 10891 OS2 SLES 1 -4.40711 -14.4467 -40.9503 O2L 10889 0 0 0 -0.65 10894 10892 OS3 SLES 1 -3.05193 -16.3332 -40.4766 O2L 10889 0 0 0 -0.65 10895 10893 OS4 SLES 1 -4.67752 -15.6162 -38.8995 O2L 10889 0 0 0 -0.65 10896 10894 C2 SLES 1 -2.79994 -13.7787 -37.9247 CC32A 10890 10895 10896 10897 -0.11 10897 10895 H2A SLES 1 -3.81887 -13.3071 -37.8438 HCA2 10894 0 0 0 0.09 10898 10896 H2B SLES 1 -2.77344 -14.7014 -37.2811 HCA2 10894 0 0 0 0.09 10899 10897 C1 SLES 1 -1.68388 -12.7417 -37.4298 CC32A 10894 10898 10899 10900 -0.01 10900 10898 H1B SLES 1 -1.64785 -11.8663 -38.1184 HCA2 10897 0 0 0 0.09 10901 10899 H1A SLES 1 -0.683926 -13.2348 -37.423 HCA2 10897 0 0 0 0.09 10902 10900 O1 SLES 1 -1.79213 -12.1154 -36.0979 OC30A 10897 10901 0 0 -0.34 10903 10901 C2 SLES 1 -2.66904 -12.7606 -35.1506 CC32A 10900 10902 10903 10904 -0.01 10904 10902 H2A SLES 1 -3.64546 -12.7003 -35.67 HCA2 10901 0 0 0 0.09 10905 10903 H2B SLES 1 -2.31413 -13.8155 -35.1753 HCA2 10901 0 0 0 0.09 10906 10904 C1 SLES 1 -2.83895 -12.2992 -33.6689 CC32A 10901 10905 10906 10907 -0.01 10907 10905 H1B SLES 1 -3.66984 -11.5639 -33.5978 HCA2 10904 0 0 0 0.09 10908 10906 H1A SLES 1 -3.08643 -13.1766 -33.0385 HCA2 10904 0 0 0 0.09 10909 10907 O1 SLES 1 -1.80141 -11.5805 -32.9273 OC30A 10904 10908 0 0 -0.34 10910 10908 C1 SLES 1 -1.79885 -11.8162 -31.4718 CTL2 10907 10909 10910 10911 -0.18 10911 10909 H11 SLES 1 -2.72939 -12.3602 -31.2281 HAL2 10908 0 0 0 0.09 10912 10910 H12 SLES 1 -0.941558 -12.5128 -31.3662 HAL2 10908 0 0 0 0.09 10913 10911 C2 SLES 1 -1.62299 -10.5969 -30.4827 CTL2 10908 10912 10913 10914 -0.18 10914 10912 H21 SLES 1 -1.55796 -9.65533 -31.0727 HAL2 10911 0 0 0 0.09 10915 10913 H22 SLES 1 -0.668396 -10.7183 -29.9254 HAL2 10911 0 0 0 0.09 10916 10914 C3 SLES 1 -2.83317 -10.4758 -29.4342 CTL2 10911 10915 10916 10917 -0.18 10917 10915 H31 SLES 1 -3.50219 -9.64421 -29.7491 HAL2 10914 0 0 0 0.09 10918 10916 H32 SLES 1 -3.42377 -11.4133 -29.4543 HAL2 10914 0 0 0 0.09 10919 10917 C4 SLES 1 -2.34354 -10.2079 -27.9507 CTL2 10914 10918 10919 10920 -0.18 10920 10918 H41 SLES 1 -2.48584 -9.13291 -27.7136 HAL2 10917 0 0 0 0.09 10921 10919 H42 SLES 1 -1.25778 -10.4336 -27.8784 HAL2 10917 0 0 0 0.09 10922 10920 C5 SLES 1 -3.12838 -11.088 -26.8764 CTL2 10917 10921 10922 10923 -0.18 10923 10921 H51 SLES 1 -4.06971 -11.4651 -27.3338 HAL2 10920 0 0 0 0.09 10924 10922 H52 SLES 1 -2.50379 -11.9691 -26.6034 HAL2 10920 0 0 0 0.09 10925 10923 C6 SLES 1 -3.48319 -10.2864 -25.5676 CTL2 10920 10924 10925 10926 -0.18 10926 10924 H61 SLES 1 -4.2942 -9.55909 -25.7962 HAL2 10923 0 0 0 0.09 10927 10925 H62 SLES 1 -3.8672 -10.9983 -24.8 HAL2 10923 0 0 0 0.09 10928 10926 C7 SLES 1 -2.25915 -9.516 -24.979 CTL2 10923 10927 10928 10929 -0.18 10929 10927 H71 SLES 1 -2.12757 -8.56297 -25.5378 HAL2 10926 0 0 0 0.09 10930 10928 H72 SLES 1 -1.34078 -10.1279 -25.1224 HAL2 10926 0 0 0 0.09 10931 10929 C8 SLES 1 -2.42314 -9.19719 -23.472 CTL2 10926 10930 10931 10932 -0.18 10932 10930 H81 SLES 1 -3.44391 -8.78696 -23.2956 HAL2 10929 0 0 0 0.09 10933 10931 H82 SLES 1 -2.32563 -10.1405 -22.8878 HAL2 10929 0 0 0 0.09 10934 10932 C9 SLES 1 -1.37306 -8.17695 -22.9653 CTL2 10929 10933 10934 10935 -0.18 10935 10933 H91 SLES 1 -1.45141 -7.24476 -23.5697 HAL2 10932 0 0 0 0.09 10936 10934 H92 SLES 1 -0.354206 -8.59955 -23.1165 HAL2 10932 0 0 0 0.09 10937 10935 C10 SLES 1 -1.55686 -7.8253 -21.47 CTL2 10932 10936 10937 10938 -0.18 10938 10936 H10 SLES 1 -2.56754 -7.38085 -21.3225 HAL2 10935 0 0 0 0.09 10939 10937 H10 SLES 1 -1.50072 -8.75984 -20.8671 HAL2 10935 0 0 0 0.09 10940 10938 C11 SLES 1 -0.484824 -6.8269 -20.9582 CTL2 10935 10939 10940 10941 -0.18 10941 10939 H11 SLES 1 -0.549591 -5.89145 -21.5598 HAL2 10938 0 0 0 0.09 10942 10940 H11 SLES 1 0.524501 -7.26806 -21.1243 HAL2 10938 0 0 0 0.09 10943 10941 C12 SLES 1 -0.632029 -6.4669 -19.4572 CTL3 10938 10942 10943 10944 -0.27 10944 10942 H12 SLES 1 -0.781655 -5.37141 -19.3353 HAL3 10941 0 0 0 0.09 10945 10943 H12 SLES 1 0.281796 -6.76429 -18.8969 HAL3 10941 0 0 0 0.09 10946 10944 H12 SLES 1 -1.50545 -6.99499 -19.0163 HAL3 10941 0 0 0 0.09 10947 10945 NA SLES 1 -9.17726 -10.9894 -41.7983 NA 0 0 0 0 1 10948 10946 S SLES 1 -11.4395 -8.46834 -40.4282 SL 10947 10948 10949 10950 1.33 10949 10947 OS1 SLES 1 -10.2215 -9.22056 -39.5575 OSL 10946 10951 0 0 -0.28 10950 10948 OS2 SLES 1 -10.7985 -7.82963 -41.5589 O2L 10946 0 0 0 -0.65 10951 10949 OS3 SLES 1 -12.3152 -9.52459 -40.8908 O2L 10946 0 0 0 -0.65 10952 10950 OS4 SLES 1 -12.203 -7.488 -39.6729 O2L 10946 0 0 0 -0.65 10953 10951 C2 SLES 1 -10.0577 -8.56687 -38.2286 CC32A 10947 10952 10953 10954 -0.11 10954 10952 H2A SLES 1 -9.87254 -7.46307 -38.3491 HCA2 10951 0 0 0 0.09 10955 10953 H2B SLES 1 -11.0043 -8.71522 -37.6384 HCA2 10951 0 0 0 0.09 10956 10954 C1 SLES 1 -8.82693 -9.2398 -37.4551 CC32A 10951 10955 10956 10957 -0.01 10957 10955 H1B SLES 1 -7.90523 -9.17205 -38.0777 HCA2 10954 0 0 0 0.09 10958 10956 H1A SLES 1 -9.04664 -10.3143 -37.2543 HCA2 10954 0 0 0 0.09 10959 10957 O1 SLES 1 -8.38949 -8.70569 -36.1508 OC30A 10954 10958 0 0 -0.34 10960 10958 C2 SLES 1 -9.331 -7.86782 -35.4478 CC32A 10957 10959 10960 10961 -0.01 10961 10959 H2A SLES 1 -9.46866 -7.0338 -36.1636 HCA2 10958 0 0 0 0.09 10962 10960 H2B SLES 1 -10.2521 -8.49306 -35.4442 HCA2 10958 0 0 0 0.09 10963 10961 C1 SLES 1 -9.08326 -7.29081 -34.0185 CC32A 10958 10962 10963 10964 -0.01 10964 10962 H1B SLES 1 -8.59565 -6.29463 -34.0954 HCA2 10961 0 0 0 0.09 10965 10963 H1A SLES 1 -10.0549 -7.17136 -33.4987 HCA2 10961 0 0 0 0.09 10966 10964 O1 SLES 1 -8.20399 -7.92749 -33.0365 OC30A 10961 10965 0 0 -0.34 10967 10965 C1 SLES 1 -8.57977 -7.70713 -31.6279 CTL2 10964 10966 10967 10968 -0.18 10968 10966 H11 SLES 1 -9.3652 -6.92984 -31.6178 HAL2 10965 0 0 0 0.09 10969 10967 H12 SLES 1 -9.04161 -8.6829 -31.3712 HAL2 10965 0 0 0 0.09 10970 10968 C2 SLES 1 -7.46439 -7.34743 -30.5683 CTL2 10965 10969 10970 10971 -0.18 10971 10969 H21 SLES 1 -6.48187 -7.26965 -31.0854 HAL2 10968 0 0 0 0.09 10972 10970 H22 SLES 1 -7.39498 -8.17 -29.8232 HAL2 10968 0 0 0 0.09 10973 10971 C3 SLES 1 -7.76464 -5.96789 -29.8033 CTL2 10968 10972 10973 10974 -0.18 10974 10972 H31 SLES 1 -7.10341 -5.17413 -30.2168 HAL2 10971 0 0 0 0.09 10975 10973 H32 SLES 1 -8.81463 -5.66956 -29.995 HAL2 10971 0 0 0 0.09 10976 10974 C4 SLES 1 -7.5349 -6.06441 -28.238 CTL2 10971 10975 10976 10977 -0.18 10977 10975 H41 SLES 1 -6.56207 -5.5922 -27.9875 HAL2 10974 0 0 0 0.09 10978 10976 H42 SLES 1 -7.48233 -7.13434 -27.9422 HAL2 10974 0 0 0 0.09 10979 10977 C5 SLES 1 -8.69187 -5.35195 -27.4022 CTL2 10974 10978 10979 10980 -0.18 10980 10978 H51 SLES 1 -9.24742 -4.65735 -28.0703 HAL2 10977 0 0 0 0.09 10981 10979 H52 SLES 1 -9.4077 -6.12552 -27.0415 HAL2 10977 0 0 0 0.09 10982 10980 C6 SLES 1 -8.14644 -4.54257 -26.1657 CTL2 10977 10981 10982 10983 -0.18 10983 10981 H61 SLES 1 -7.63052 -3.62629 -26.5309 HAL2 10980 0 0 0 0.09 10984 10982 H62 SLES 1 -9.00779 -4.22254 -25.534 HAL2 10980 0 0 0 0.09 10985 10983 C7 SLES 1 -7.15402 -5.37105 -25.29 CTL2 10980 10984 10985 10986 -0.18 10986 10984 H71 SLES 1 -6.14669 -5.3467 -25.7616 HAL2 10983 0 0 0 0.09 10987 10985 H72 SLES 1 -7.49325 -6.43043 -25.2588 HAL2 10983 0 0 0 0.09 10988 10986 C8 SLES 1 -7.04448 -4.83329 -23.8414 CTL2 10983 10987 10988 10989 -0.18 10989 10987 H81 SLES 1 -6.92865 -3.72557 -23.8719 HAL2 10986 0 0 0 0.09 10990 10988 H82 SLES 1 -7.98664 -5.06584 -23.2947 HAL2 10986 0 0 0 0.09 10991 10989 C9 SLES 1 -5.84786 -5.44627 -23.0715 CTL2 10986 10990 10991 10992 -0.18 10992 10990 H91 SLES 1 -4.90942 -5.23876 -23.6342 HAL2 10989 0 0 0 0.09 10993 10991 H92 SLES 1 -5.97868 -6.55056 -23.0172 HAL2 10989 0 0 0 0.09 10994 10992 C10 SLES 1 -5.71058 -4.88326 -21.6371 CTL2 10989 10993 10994 10995 -0.18 10995 10993 H10 SLES 1 -5.55631 -3.78147 -21.6921 HAL2 10992 0 0 0 0.09 10996 10994 H10 SLES 1 -6.65681 -5.07076 -21.0807 HAL2 10992 0 0 0 0.09 10997 10995 C11 SLES 1 -4.52989 -5.52185 -20.8585 CTL2 10992 10996 10997 10998 -0.18 10998 10996 H11 SLES 1 -3.58514 -5.3257 -21.4154 HAL2 10995 0 0 0 0.09 10999 10997 H11 SLES 1 -4.67944 -6.62512 -20.8218 HAL2 10995 0 0 0 0.09 11000 10998 C12 SLES 1 -4.37585 -4.98991 -19.4101 CTL3 10995 10999 11000 11001 -0.27 11001 10999 H12 SLES 1 -3.37334 -4.52794 -19.2726 HAL3 10998 0 0 0 0.09 11002 11000 H12 SLES 1 -4.4863 -5.82119 -18.6793 HAL3 10998 0 0 0 0.09 11003 11001 H12 SLES 1 -5.15177 -4.22331 -19.1947 HAL3 10998 0 0 0 0.09 11004 11002 NA SLES 1 -14.7156 -2.03043 -41.6102 NA 0 0 0 0 1 11005 11003 S SLES 1 -12.6137 0.885061 -40.9527 SL 11004 11005 11006 11007 1.33 11006 11004 OS1 SLES 1 -13.0691 -0.234686 -39.7925 OSL 11003 11008 0 0 -0.28 11007 11005 OS2 SLES 1 -11.9223 0.143375 -41.9868 O2L 11003 0 0 0 -0.65 11008 11006 OS3 SLES 1 -13.8423 1.439 -41.482 O2L 11003 0 0 0 -0.65 11009 11007 OS4 SLES 1 -11.7622 1.95439 -40.4567 O2L 11003 0 0 0 -0.65 11010 11008 C2 SLES 1 -12.328 0.00727467 -38.5226 CC32A 11004 11009 11010 11011 -0.11 11011 11009 H2A SLES 1 -11.217 0.00137295 -38.7039 HCA2 11008 0 0 0 0.09 11012 11010 H2B SLES 1 -12.6263 1.01541 -38.1215 HCA2 11008 0 0 0 0.09 11013 11011 C1 SLES 1 -12.7083 -1.13118 -37.4619 CC32A 11008 11012 11013 11014 -0.01 11014 11012 H1B SLES 1 -12.4954 -2.13674 -37.8924 HCA2 11011 0 0 0 0.09 11015 11013 H1A SLES 1 -13.7931 -1.06976 -37.2118 HCA2 11011 0 0 0 0.09 11016 11014 O1 SLES 1 -12.0325 -1.17871 -36.1508 OC30A 11011 11015 0 0 -0.34 11017 11015 C2 SLES 1 -11.3578 0.025039 -35.7284 CC32A 11014 11016 11017 11018 -0.01 11018 11016 H2A SLES 1 -10.6047 0.154501 -36.5302 HCA2 11015 0 0 0 0.09 11019 11017 H2B SLES 1 -12.1488 0.79876 -35.851 HCA2 11015 0 0 0 0.09 11020 11018 C1 SLES 1 -10.6703 0.193972 -34.337 CC32A 11015 11019 11020 11021 -0.01 11021 11019 H1B SLES 1 -9.60383 -0.112491 -34.4058 HCA2 11018 0 0 0 0.09 11022 11020 H1A SLES 1 -10.7148 1.25919 -34.0338 HCA2 11018 0 0 0 0.09 11023 11021 O1 SLES 1 -11.0725 -0.556027 -33.1459 OC30A 11018 11022 0 0 -0.34 11024 11022 C1 SLES 1 -10.8564 0.143654 -31.8662 CTL2 11021 11023 11024 11025 -0.18 11025 11023 H11 SLES 1 -10.2468 1.03943 -32.0833 HAL2 11022 0 0 0 0.09 11026 11024 H12 SLES 1 -11.8885 0.467185 -31.6187 HAL2 11022 0 0 0 0.09 11027 11025 C2 SLES 1 -10.2326 -0.638354 -30.6432 CTL2 11022 11026 11027 11028 -0.18 11028 11026 H21 SLES 1 -9.99267 -1.67814 -30.9596 HAL2 11025 0 0 0 0.09 11029 11027 H22 SLES 1 -10.9863 -0.69397 -29.8275 HAL2 11025 0 0 0 0.09 11030 11028 C3 SLES 1 -8.89973 0.0594998 -30.0821 CTL2 11025 11029 11030 11031 -0.18 11031 11029 H31 SLES 1 -8.01532 -0.521482 -30.4265 HAL2 11028 0 0 0 0.09 11032 11030 H32 SLES 1 -8.82112 1.08084 -30.5051 HAL2 11028 0 0 0 0.09 11033 11031 C4 SLES 1 -8.86846 0.154062 -28.5002 CTL2 11028 11032 11033 11034 -0.18 11034 11032 H41 SLES 1 -8.20414 -0.642749 -28.1054 HAL2 11031 0 0 0 0.09 11035 11033 H42 SLES 1 -9.89103 -0.0250876 -28.1037 HAL2 11031 0 0 0 0.09 11036 11034 C5 SLES 1 -8.35157 1.57057 -27.9796 CTL2 11031 11035 11036 11037 -0.18 11037 11035 H51 SLES 1 -7.81358 2.08666 -28.8052 HAL2 11034 0 0 0 0.09 11038 11036 H52 SLES 1 -9.22953 2.19641 -27.6995 HAL2 11034 0 0 0 0.09 11039 11037 C6 SLES 1 -7.38868 1.45415 -26.7383 CTL2 11034 11038 11039 11040 -0.18 11040 11038 H61 SLES 1 -6.40994 1.04495 -27.0755 HAL2 11037 0 0 0 0.09 11041 11039 H62 SLES 1 -7.20948 2.47309 -26.3223 HAL2 11037 0 0 0 0.09 11042 11040 C7 SLES 1 -7.9623 0.538559 -25.611 CTL2 11037 11041 11042 11043 -0.18 11043 11041 H71 SLES 1 -7.76751 -0.524965 -25.8731 HAL2 11040 0 0 0 0.09 11044 11042 H72 SLES 1 -9.06429 0.681438 -25.5515 HAL2 11040 0 0 0 0.09 11045 11043 C8 SLES 1 -7.33905 0.837306 -24.2247 CTL2 11040 11044 11045 11046 -0.18 11046 11044 H81 SLES 1 -6.233 0.917817 -24.3323 HAL2 11043 0 0 0 0.09 11047 11045 H82 SLES 1 -7.72126 1.8169 -23.8573 HAL2 11043 0 0 0 0.09 11048 11046 C9 SLES 1 -7.66744 -0.258374 -23.1797 CTL2 11043 11047 11048 11049 -0.18 11049 11047 H91 SLES 1 -7.31131 -1.24228 -23.5611 HAL2 11046 0 0 0 0.09 11050 11048 H92 SLES 1 -8.77179 -0.318827 -23.0522 HAL2 11046 0 0 0 0.09 11051 11049 C10 SLES 1 -7.0148 0.0152456 -21.804 CTL2 11046 11050 11051 11052 -0.18 11052 11050 H10 SLES 1 -5.90838 0.0525571 -21.9273 HAL2 11049 0 0 0 0.09 11053 11051 H10 SLES 1 -7.35316 1.00887 -21.4321 HAL2 11049 0 0 0 0.09 11054 11052 C11 SLES 1 -7.37091 -1.06788 -20.7514 CTL2 11049 11053 11054 11055 -0.18 11055 11053 H11 SLES 1 -7.02439 -2.05864 -21.1248 HAL2 11052 0 0 0 0.09 11056 11054 H11 SLES 1 -8.47882 -1.11387 -20.6447 HAL2 11052 0 0 0 0.09 11057 11055 C12 SLES 1 -6.74474 -0.812951 -19.3558 CTL3 11052 11056 11057 11058 -0.27 11058 11056 H12 SLES 1 -6.09056 -1.66411 -19.0644 HAL3 11055 0 0 0 0.09 11059 11057 H12 SLES 1 -7.54257 -0.700378 -18.5889 HAL3 11055 0 0 0 0.09 11060 11058 H12 SLES 1 -6.1331 0.115399 -19.3697 HAL3 11055 0 0 0 0.09 11061 11059 NA SLES 1 -11.0366 9.66726 -41.6752 NA 0 0 0 0 1 11062 11060 S SLES 1 -7.85445 7.89466 -41.3883 SL 11061 11062 11063 11064 1.33 11063 11061 OS1 SLES 1 -8.78413 8.38802 -40.0846 OSL 11060 11065 0 0 -0.28 11064 11062 OS2 SLES 1 -8.69896 7.0327 -42.1892 O2L 11060 0 0 0 -0.65 11065 11063 OS3 SLES 1 -7.53208 9.09542 -42.1305 O2L 11060 0 0 0 -0.65 11066 11064 OS4 SLES 1 -6.63286 7.19379 -41.0265 O2L 11060 0 0 0 -0.65 11067 11065 C2 SLES 1 -8.24199 7.81823 -38.819 CC32A 11061 11066 11067 11068 -0.11 11068 11066 H2A SLES 1 -8.16947 6.69696 -38.8874 HCA2 11065 0 0 0 0.09 11069 11067 H2B SLES 1 -7.21272 8.24023 -38.6494 HCA2 11065 0 0 0 0.09 11070 11068 C1 SLES 1 -9.20057 8.22438 -37.6016 CC32A 11065 11069 11070 11071 -0.01 11071 11069 H1B SLES 1 -10.2412 7.88388 -37.8087 HCA2 11068 0 0 0 0.09 11072 11070 H1A SLES 1 -9.20363 9.33204 -37.4742 HCA2 11068 0 0 0 0.09 11073 11071 O1 SLES 1 -8.94064 7.70078 -36.2466 OC30A 11068 11072 0 0 -0.34 11074 11072 C2 SLES 1 -7.61867 7.17741 -35.9994 CC32A 11071 11073 11074 11075 -0.01 11075 11073 H2A SLES 1 -7.56255 6.35062 -36.7344 HCA2 11072 0 0 0 0.09 11076 11074 H2B SLES 1 -6.96341 8.00879 -36.3441 HCA2 11072 0 0 0 0.09 11077 11075 C1 SLES 1 -7.1312 6.66873 -34.6063 CC32A 11072 11076 11077 11078 -0.01 11078 11076 H1B SLES 1 -7.33665 5.58023 -34.5115 HCA2 11075 0 0 0 0.09 11079 11077 H1A SLES 1 -6.03848 6.83279 -34.5187 HCA2 11075 0 0 0 0.09 11080 11078 O1 SLES 1 -7.68825 7.14253 -33.3382 OC30A 11075 11079 0 0 -0.34 11081 11079 C1 SLES 1 -6.74919 7.13052 -32.2015 CTL2 11078 11080 11081 11082 -0.18 11082 11080 H11 SLES 1 -5.85144 6.57397 -32.5263 HAL2 11079 0 0 0 0.09 11083 11081 H12 SLES 1 -6.49108 8.20676 -32.1218 HAL2 11079 0 0 0 0.09 11084 11082 C2 SLES 1 -7.22896 6.58948 -30.7968 CTL2 11079 11083 11084 11085 -0.18 11085 11083 H21 SLES 1 -8.27961 6.23241 -30.8832 HAL2 11082 0 0 0 0.09 11086 11084 H22 SLES 1 -7.21035 7.4243 -30.0624 HAL2 11082 0 0 0 0.09 11087 11085 C3 SLES 1 -6.31064 5.38952 -30.2535 CTL2 11082 11086 11087 11088 -0.18 11088 11086 H31 SLES 1 -6.85302 4.4279 -30.3927 HAL2 11085 0 0 0 0.09 11089 11087 H32 SLES 1 -5.38073 5.3454 -30.8547 HAL2 11085 0 0 0 0.09 11090 11088 C4 SLES 1 -5.92699 5.54641 -28.7236 CTL2 11085 11089 11090 11091 -0.18 11091 11089 H41 SLES 1 -6.56795 4.86965 -28.1209 HAL2 11088 0 0 0 0.09 11092 11090 H42 SLES 1 -6.13247 6.58982 -28.401 HAL2 11088 0 0 0 0.09 11093 11091 C5 SLES 1 -4.39482 5.20753 -28.4366 CTL2 11088 11092 11093 11094 -0.18 11094 11092 H51 SLES 1 -3.98642 4.62209 -29.2898 HAL2 11091 0 0 0 0.09 11095 11093 H52 SLES 1 -3.8196 6.15904 -28.368 HAL2 11091 0 0 0 0.09 11096 11094 C6 SLES 1 -4.18623 4.38615 -27.1087 CTL2 11091 11095 11096 11097 -0.18 11097 11095 H61 SLES 1 -4.54982 3.34571 -27.2648 HAL2 11094 0 0 0 0.09 11098 11096 H62 SLES 1 -3.09583 4.33784 -26.8804 HAL2 11094 0 0 0 0.09 11099 11097 C7 SLES 1 -4.93403 5.00919 -25.8877 CTL2 11094 11098 11099 11100 -0.18 11100 11098 H71 SLES 1 -6.00256 4.70111 -25.921 HAL2 11097 0 0 0 0.09 11101 11099 H72 SLES 1 -4.89386 6.11867 -25.9638 HAL2 11097 0 0 0 0.09 11102 11100 C8 SLES 1 -4.32696 4.57397 -24.5306 CTL2 11097 11101 11102 11103 -0.18 11103 11101 H81 SLES 1 -4.15699 3.47291 -24.5441 HAL2 11100 0 0 0 0.09 11104 11102 H82 SLES 1 -3.34016 5.07289 -24.3967 HAL2 11100 0 0 0 0.09 11105 11103 C9 SLES 1 -5.24135 4.93035 -23.3318 CTL2 11100 11104 11105 11106 -0.18 11106 11104 H91 SLES 1 -6.23753 4.45531 -23.4812 HAL2 11103 0 0 0 0.09 11107 11105 H92 SLES 1 -5.38792 6.0336 -23.3027 HAL2 11103 0 0 0 0.09 11108 11106 C10 SLES 1 -4.65784 4.46281 -21.9775 CTL2 11103 11107 11108 11109 -0.18 11109 11107 H10 SLES 1 -4.53295 3.35612 -21.9979 HAL2 11106 0 0 0 0.09 11110 11108 H10 SLES 1 -3.65211 4.91995 -21.8376 HAL2 11106 0 0 0 0.09 11111 11109 C11 SLES 1 -5.56135 4.84851 -20.7763 CTL2 11106 11110 11111 11112 -0.18 11112 11110 H11 SLES 1 -6.56374 4.38334 -20.9174 HAL2 11109 0 0 0 0.09 11113 11111 H11 SLES 1 -5.69792 5.95407 -20.7706 HAL2 11109 0 0 0 0.09 11114 11112 C12 SLES 1 -4.99516 4.40793 -19.4015 CTL3 11109 11113 11114 11115 -0.27 11115 11113 H12 SLES 1 -5.70913 3.72507 -18.8904 HAL3 11112 0 0 0 0.09 11116 11114 H12 SLES 1 -4.82534 5.29441 -18.7514 HAL3 11112 0 0 0 0.09 11117 11115 H12 SLES 1 -4.02832 3.87515 -19.5338 HAL3 11112 0 0 0 0.09 11118 11116 NA SLES 1 1.47028 13.147 -42.1554 NA 0 0 0 0 1 11119 11117 S SLES 1 -0.333661 10.0061 -41.6747 SL 11118 11119 11120 11121 1.33 11120 11118 OS1 SLES 1 0.450092 10.8441 -40.4537 OSL 11117 11122 0 0 -0.28 11121 11119 OS2 SLES 1 -1.30527 10.9201 -42.2386 O2L 11117 0 0 0 -0.65 11122 11120 OS3 SLES 1 0.678221 9.69271 -42.6618 O2L 11117 0 0 0 -0.65 11123 11121 OS4 SLES 1 -0.995194 8.78639 -41.2399 O2L 11117 0 0 0 -0.65 11124 11122 C2 SLES 1 0.126875 10.2463 -39.1276 CC32A 11118 11123 11124 11125 -0.11 11125 11123 H2A SLES 1 -0.987016 10.2103 -38.9691 HCA2 11122 0 0 0 0.09 11126 11124 H2B SLES 1 0.532888 9.19719 -39.1002 HCA2 11122 0 0 0 0.09 11127 11125 C1 SLES 1 0.808987 11.1207 -37.9717 CC32A 11122 11126 11127 11128 -0.01 11128 11126 H1B SLES 1 0.475615 12.181 -38.0517 HCA2 11125 0 0 0 0.09 11129 11127 H1A SLES 1 1.91874 11.0844 -38.0731 HCA2 11125 0 0 0 0.09 11130 11128 O1 SLES 1 0.560367 10.798 -36.5533 OC30A 11125 11129 0 0 -0.34 11131 11129 C2 SLES 1 0.0452923 9.47956 -36.272 CC32A 11128 11130 11131 11132 -0.01 11132 11130 H2A SLES 1 -0.91466 9.49 -36.8245 HCA2 11129 0 0 0 0.09 11133 11131 H2B SLES 1 0.762815 8.82162 -36.812 HCA2 11129 0 0 0 0.09 11134 11132 C1 SLES 1 -0.190132 8.92715 -34.8309 CC32A 11129 11133 11134 11135 -0.01 11135 11133 H1B SLES 1 -1.22782 9.15813 -34.5055 HCA2 11132 0 0 0 0.09 11136 11134 H1A SLES 1 -0.0556527 7.82692 -34.8343 HCA2 11132 0 0 0 0.09 11137 11135 O1 SLES 1 0.552339 9.39594 -33.6597 OC30A 11132 11136 0 0 -0.34 11138 11136 C1 SLES 1 0.732925 8.39338 -32.5937 CTL2 11135 11137 11138 11139 -0.18 11139 11137 H11 SLES 1 0.0866783 7.53239 -32.8432 HAL2 11136 0 0 0 0.09 11140 11138 H12 SLES 1 1.79182 8.10011 -32.7487 HAL2 11136 0 0 0 0.09 11141 11139 C2 SLES 1 0.506929 8.80645 -31.0855 CTL2 11136 11140 11141 11142 -0.18 11142 11140 H21 SLES 1 0.182153 9.87021 -31.0437 HAL2 11139 0 0 0 0.09 11143 11141 H22 SLES 1 1.47163 8.72124 -30.539 HAL2 11139 0 0 0 0.09 11144 11142 C3 SLES 1 -0.594099 7.89325 -30.356 CTL2 11139 11143 11144 11145 -0.18 11145 11143 H31 SLES 1 -1.54149 8.47034 -30.2682 HAL2 11142 0 0 0 0.09 11146 11144 H32 SLES 1 -0.796164 7.00138 -30.982 HAL2 11142 0 0 0 0.09 11147 11145 C4 SLES 1 -0.146448 7.41731 -28.9119 CTL2 11142 11146 11147 11148 -0.18 11148 11146 H41 SLES 1 -0.66104 8.04158 -28.1519 HAL2 11145 0 0 0 0.09 11149 11147 H42 SLES 1 0.94804 7.57354 -28.7992 HAL2 11145 0 0 0 0.09 11150 11148 C5 SLES 1 -0.481357 5.88152 -28.64 CTL2 11145 11149 11150 11151 -0.18 11151 11149 H51 SLES 1 -1.24317 5.54028 -29.3753 HAL2 11148 0 0 0 0.09 11152 11150 H52 SLES 1 0.440524 5.27606 -28.7965 HAL2 11148 0 0 0 0.09 11153 11151 C6 SLES 1 -1.0248 5.62022 -27.1847 CTL2 11148 11152 11153 11154 -0.18 11154 11152 H61 SLES 1 -2.05988 6.02213 -27.1063 HAL2 11151 0 0 0 0.09 11155 11153 H62 SLES 1 -1.06955 4.52027 -27.007 HAL2 11151 0 0 0 0.09 11156 11154 C7 SLES 1 -0.138164 6.27777 -26.0803 CTL2 11151 11155 11156 11157 -0.18 11157 11155 H71 SLES 1 -0.403546 7.35488 -25.9956 HAL2 11154 0 0 0 0.09 11158 11156 H72 SLES 1 0.930456 6.21004 -26.3833 HAL2 11154 0 0 0 0.09 11159 11157 C8 SLES 1 -0.313804 5.60597 -24.6956 CTL2 11154 11158 11159 11160 -0.18 11160 11158 H81 SLES 1 -1.40072 5.46894 -24.4925 HAL2 11157 0 0 0 0.09 11161 11159 H82 SLES 1 0.161949 4.59907 -24.7167 HAL2 11157 0 0 0 0.09 11162 11160 C9 SLES 1 0.31408 6.43875 -23.5499 CTL2 11157 11161 11162 11163 -0.18 11163 11161 H91 SLES 1 -0.141055 7.45521 -23.5483 HAL2 11160 0 0 0 0.09 11164 11162 H92 SLES 1 1.40539 6.55145 -23.7392 HAL2 11160 0 0 0 0.09 11165 11163 C10 SLES 1 0.107213 5.79155 -22.16 CTL2 11160 11164 11165 11166 -0.18 11166 11164 H10 SLES 1 -0.984826 5.70007 -21.9604 HAL2 11163 0 0 0 0.09 11167 11165 H10 SLES 1 0.542535 4.76663 -22.1677 HAL2 11163 0 0 0 0.09 11168 11166 C11 SLES 1 0.763837 6.61248 -21.0186 CTL2 11163 11167 11168 11169 -0.18 11169 11167 H11 SLES 1 0.320262 7.63439 -21.0107 HAL2 11166 0 0 0 0.09 11170 11168 H11 SLES 1 1.85224 6.7165 -21.2319 HAL2 11166 0 0 0 0.09 11171 11169 C12 SLES 1 0.588167 5.98061 -19.6134 CTL3 11166 11170 11171 11172 -0.27 11172 11170 H12 SLES 1 0.0520024 6.68322 -18.938 HAL3 11169 0 0 0 0.09 11173 11171 H12 SLES 1 1.58031 5.74791 -19.1675 HAL3 11169 0 0 0 0.09 11174 11172 H12 SLES 1 0.00134515 5.03885 -19.6831 HAL3 11169 0 0 0 0.09 11175 11173 NA SLES 1 9.43385 4.13755 -42.9647 NA 0 0 0 0 1 11176 11174 S SLES 1 6.7865 6.38816 -41.8348 SL 11175 11176 11177 11178 1.33 11177 11175 OS1 SLES 1 7.52755 5.23762 -40.8681 OSL 11174 11179 0 0 -0.28 11178 11176 OS2 SLES 1 7.84089 7.25459 -42.3196 O2L 11174 0 0 0 -0.65 11179 11177 OS3 SLES 1 6.19605 5.66468 -42.9413 O2L 11174 0 0 0 -0.65 11180 11178 OS4 SLES 1 5.7683 7.17699 -41.1599 O2L 11174 0 0 0 -0.65 11181 11179 C2 SLES 1 7.10945 5.40957 -39.4482 CC32A 11175 11180 11181 11182 -0.11 11182 11180 H2A SLES 1 7.32029 6.45786 -39.0964 HCA2 11179 0 0 0 0.09 11183 11181 H2B SLES 1 6.00324 5.21649 -39.3758 HCA2 11179 0 0 0 0.09 11184 11182 C1 SLES 1 7.90259 4.36231 -38.5317 CC32A 11179 11183 11184 11185 -0.01 11185 11183 H1B SLES 1 9.00058 4.49344 -38.6695 HCA2 11182 0 0 0 0.09 11186 11184 H1A SLES 1 7.62626 3.32104 -38.819 HCA2 11182 0 0 0 0.09 11187 11185 O1 SLES 1 7.74372 4.39157 -37.0648 OC30A 11182 11186 0 0 -0.34 11188 11186 C2 SLES 1 6.58733 5.08802 -36.5546 CC32A 11185 11187 11188 11189 -0.01 11189 11187 H2A SLES 1 6.75923 6.11571 -36.9303 HCA2 11186 0 0 0 0.09 11190 11188 H2B SLES 1 5.75555 4.62853 -37.1346 HCA2 11186 0 0 0 0.09 11191 11189 C1 SLES 1 6.20341 5.14465 -35.0424 CC32A 11186 11190 11191 11192 -0.01 11192 11190 H1B SLES 1 6.67067 6.03594 -34.5699 HCA2 11189 0 0 0 0.09 11193 11191 H1A SLES 1 5.10226 5.22861 -34.9474 HCA2 11189 0 0 0 0.09 11194 11192 O1 SLES 1 6.58958 4.11476 -34.0765 OC30A 11189 11193 0 0 -0.34 11195 11193 C1 SLES 1 5.65192 3.93016 -32.9537 CTL2 11192 11194 11195 11196 -0.18 11196 11194 H11 SLES 1 4.93035 4.7663 -32.9908 HAL2 11193 0 0 0 0.09 11197 11195 H12 SLES 1 5.13189 2.99779 -33.2562 HAL2 11193 0 0 0 0.09 11198 11196 C2 SLES 1 6.21213 3.77818 -31.4842 CTL2 11193 11197 11198 11199 -0.18 11199 11197 H21 SLES 1 7.32057 3.87698 -31.5047 HAL2 11196 0 0 0 0.09 11200 11198 H22 SLES 1 5.96591 2.76153 -31.1069 HAL2 11196 0 0 0 0.09 11201 11199 C3 SLES 1 5.60675 4.87402 -30.4787 CTL2 11196 11200 11201 11202 -0.18 11202 11200 H31 SLES 1 6.37511 5.65715 -30.2926 HAL2 11199 0 0 0 0.09 11203 11201 H32 SLES 1 4.73415 5.36107 -30.9578 HAL2 11199 0 0 0 0.09 11204 11202 C4 SLES 1 5.15385 4.25806 -29.0903 CTL2 11199 11203 11204 11205 -0.18 11205 11203 H41 SLES 1 5.92614 4.48657 -28.3264 HAL2 11202 0 0 0 0.09 11206 11204 H42 SLES 1 5.08407 3.15313 -29.1866 HAL2 11202 0 0 0 0.09 11207 11205 C5 SLES 1 3.74693 4.82499 -28.5964 CTL2 11202 11206 11207 11208 -0.18 11208 11206 H51 SLES 1 3.52096 5.76513 -29.1464 HAL2 11205 0 0 0 0.09 11209 11207 H52 SLES 1 2.95127 4.08509 -28.8422 HAL2 11205 0 0 0 0.09 11210 11208 C6 SLES 1 3.71265 5.11897 -27.0492 CTL2 11205 11209 11210 11211 -0.18 11211 11209 H61 SLES 1 4.328 6.02214 -26.8378 HAL2 11208 0 0 0 0.09 11212 11210 H62 SLES 1 2.66271 5.34056 -26.7459 HAL2 11208 0 0 0 0.09 11213 11211 C7 SLES 1 4.24764 3.92671 -26.1944 CTL2 11208 11212 11213 11214 -0.18 11214 11212 H71 SLES 1 5.35972 3.95756 -26.1847 HAL2 11211 0 0 0 0.09 11215 11213 H72 SLES 1 3.93465 2.96979 -26.6684 HAL2 11211 0 0 0 0.09 11216 11214 C8 SLES 1 3.73063 3.95972 -24.7346 CTL2 11211 11215 11216 11217 -0.18 11217 11215 H81 SLES 1 3.84057 4.99301 -24.3326 HAL2 11214 0 0 0 0.09 11218 11216 H82 SLES 1 2.64737 3.70068 -24.7263 HAL2 11214 0 0 0 0.09 11219 11217 C9 SLES 1 4.49391 2.97462 -23.8141 CTL2 11214 11218 11219 11220 -0.18 11220 11218 H91 SLES 1 5.58073 3.21572 -23.8461 HAL2 11217 0 0 0 0.09 11221 11219 H92 SLES 1 4.36032 1.93917 -24.2007 HAL2 11217 0 0 0 0.09 11222 11220 C10 SLES 1 4.00783 3.03193 -22.3465 CTL2 11217 11221 11222 11223 -0.18 11223 11221 H10 SLES 1 4.163 4.062 -21.952 HAL2 11220 0 0 0 0.09 11224 11222 H10 SLES 1 2.91648 2.8127 -22.316 HAL2 11220 0 0 0 0.09 11225 11223 C11 SLES 1 4.75319 2.02228 -21.4338 CTL2 11220 11224 11225 11226 -0.18 11226 11224 H11 SLES 1 5.84335 2.25 -21.4623 HAL2 11223 0 0 0 0.09 11227 11225 H11 SLES 1 4.61002 0.995909 -21.8424 HAL2 11223 0 0 0 0.09 11228 11226 C12 SLES 1 4.27661 2.04368 -19.9583 CTL3 11223 11227 11228 11229 -0.27 11229 11227 H12 SLES 1 5.12365 2.29404 -19.2822 HAL3 11226 0 0 0 0.09 11230 11228 H12 SLES 1 3.87349 1.04844 -19.6679 HAL3 11226 0 0 0 0.09 11231 11229 H12 SLES 1 3.47691 2.80373 -19.8208 HAL3 11226 0 0 0 0.09 11232 11230 NA SLES 1 5.20754 -3.64274 -43.7229 NA 0 0 0 0 1 11233 11231 S SLES 1 8.20739 -2.47511 -41.9943 SL 11232 11233 11234 11235 1.33 11234 11232 OS1 SLES 1 6.73651 -2.76579 -41.2464 OSL 11231 11236 0 0 -0.28 11235 11233 OS2 SLES 1 8.59443 -3.7172 -42.6307 O2L 11231 0 0 0 -0.65 11236 11234 OS3 SLES 1 7.95506 -1.46452 -43.0001 O2L 11231 0 0 0 -0.65 11237 11235 OS4 SLES 1 9.26149 -2.02845 -41.0978 O2L 11231 0 0 0 -0.65 11238 11236 C2 SLES 1 6.88609 -2.68849 -39.7659 CC32A 11232 11237 11238 11239 -0.11 11239 11237 H2A SLES 1 7.6886 -3.39335 -39.4105 HCA2 11236 0 0 0 0.09 11240 11238 H2B SLES 1 7.17686 -1.63683 -39.4907 HCA2 11236 0 0 0 0.09 11241 11239 C1 SLES 1 5.49182 -3.06337 -39.0721 CC32A 11236 11240 11241 11242 -0.01 11242 11240 H1B SLES 1 5.15756 -4.07035 -39.4128 HCA2 11239 0 0 0 0.09 11243 11241 H1A SLES 1 4.71526 -2.31358 -39.3513 HCA2 11239 0 0 0 0.09 11244 11242 O1 SLES 1 5.39684 -3.15883 -37.6025 OC30A 11239 11243 0 0 -0.34 11245 11243 C2 SLES 1 6.44858 -2.52413 -36.8451 CC32A 11242 11244 11245 11246 -0.01 11246 11244 H2A SLES 1 7.3431 -3.07496 -37.1962 HCA2 11243 0 0 0 0.09 11247 11245 H2B SLES 1 6.46775 -1.49752 -37.2753 HCA2 11243 0 0 0 0.09 11248 11246 C1 SLES 1 6.46845 -2.43984 -35.2864 CC32A 11243 11247 11248 11249 -0.01 11249 11247 H1B SLES 1 7.00532 -3.31983 -34.8699 HCA2 11246 0 0 0 0.09 11250 11248 H1A SLES 1 7.00203 -1.51905 -34.9765 HCA2 11246 0 0 0 0.09 11251 11249 O1 SLES 1 5.25733 -2.47053 -34.4647 OC30A 11246 11250 0 0 -0.34 11252 11250 C1 SLES 1 5.34825 -1.73103 -33.1924 CTL2 11249 11251 11252 11253 -0.18 11253 11251 H11 SLES 1 6.40966 -1.45921 -33.0485 HAL2 11250 0 0 0 0.09 11254 11252 H12 SLES 1 4.77526 -0.812025 -33.434 HAL2 11250 0 0 0 0.09 11255 11253 C2 SLES 1 4.78338 -2.38151 -31.868 CTL2 11250 11254 11255 11256 -0.18 11256 11254 H21 SLES 1 4.40059 -3.40118 -32.0972 HAL2 11253 0 0 0 0.09 11257 11255 H22 SLES 1 3.9303 -1.77017 -31.5004 HAL2 11253 0 0 0 0.09 11258 11256 C3 SLES 1 5.8931 -2.4859 -30.7121 CTL2 11253 11257 11258 11259 -0.18 11259 11257 H31 SLES 1 6.2414 -3.54029 -30.6398 HAL2 11256 0 0 0 0.09 11260 11258 H32 SLES 1 6.76368 -1.85863 -30.9893 HAL2 11256 0 0 0 0.09 11261 11259 C4 SLES 1 5.35659 -2.02341 -29.2942 CTL2 11256 11260 11261 11262 -0.18 11262 11260 H41 SLES 1 5.13246 -2.92289 -28.6836 HAL2 11259 0 0 0 0.09 11263 11261 H42 SLES 1 4.41015 -1.45678 -29.4292 HAL2 11259 0 0 0 0.09 11264 11262 C5 SLES 1 6.40163 -1.10748 -28.5108 CTL2 11259 11263 11264 11265 -0.18 11265 11263 H51 SLES 1 7.41034 -1.24161 -28.9602 HAL2 11262 0 0 0 0.09 11266 11264 H52 SLES 1 6.11137 -0.0390918 -28.6342 HAL2 11262 0 0 0 0.09 11267 11265 C6 SLES 1 6.4799 -1.44266 -26.9736 CTL2 11262 11266 11267 11268 -0.18 11268 11266 H61 SLES 1 6.99775 -2.41904 -26.8411 HAL2 11265 0 0 0 0.09 11269 11267 H62 SLES 1 7.08791 -0.659778 -26.4628 HAL2 11265 0 0 0 0.09 11270 11268 C7 SLES 1 5.07421 -1.51583 -26.2976 CTL2 11265 11269 11270 11271 -0.18 11271 11269 H71 SLES 1 4.62518 -2.51314 -26.5013 HAL2 11268 0 0 0 0.09 11272 11270 H72 SLES 1 4.41286 -0.74274 -26.7485 HAL2 11268 0 0 0 0.09 11273 11271 C8 SLES 1 5.13658 -1.29558 -24.7656 CTL2 11268 11272 11273 11274 -0.18 11274 11272 H81 SLES 1 5.96235 -1.9123 -24.3423 HAL2 11271 0 0 0 0.09 11275 11273 H82 SLES 1 5.36679 -0.225189 -24.5609 HAL2 11271 0 0 0 0.09 11276 11274 C9 SLES 1 3.8102 -1.67229 -24.0591 CTL2 11271 11275 11276 11277 -0.18 11277 11275 H91 SLES 1 3.56547 -2.73427 -24.2885 HAL2 11274 0 0 0 0.09 11278 11276 H92 SLES 1 2.99063 -1.03607 -24.4628 HAL2 11274 0 0 0 0.09 11279 11277 C10 SLES 1 3.88009 -1.49133 -22.5242 CTL2 11274 11278 11279 11280 -0.18 11280 11278 H10 SLES 1 4.68461 -2.14543 -22.1172 HAL2 11277 0 0 0 0.09 11281 11279 H10 SLES 1 4.14653 -0.434814 -22.2944 HAL2 11277 0 0 0 0.09 11282 11280 C11 SLES 1 2.54041 -1.84014 -21.8232 CTL2 11277 11281 11282 11283 -0.18 11283 11281 H11 SLES 1 2.28182 -2.89967 -22.0504 HAL2 11280 0 0 0 0.09 11284 11282 H11 SLES 1 1.73589 -1.19613 -22.2462 HAL2 11280 0 0 0 0.09 11285 11283 C12 SLES 1 2.57309 -1.65282 -20.2842 CTL3 11280 11284 11285 11286 -0.27 11286 11284 H12 SLES 1 2.34787 -2.61469 -19.7729 HAL3 11283 0 0 0 0.09 11287 11285 H12 SLES 1 1.81745 -0.899218 -19.9704 HAL3 11283 0 0 0 0.09 11288 11286 H12 SLES 1 3.57731 -1.30474 -19.9578 HAL3 11283 0 0 0 0.09 11289 11287 NA SLES 1 1.28925 -4.13078 -43.97 NA 0 0 0 0 1 11290 11288 S SLES 1 -0.571288 -6.80354 -42.3131 SL 11289 11290 11291 11292 1.33 11291 11289 OS1 SLES 1 0.241587 -5.57775 -41.5106 OSL 11288 11293 0 0 -0.28 11292 11290 OS2 SLES 1 -1.53049 -6.15571 -43.1836 O2L 11288 0 0 0 -0.65 11293 11291 OS3 SLES 1 0.423834 -7.49526 -43.1055 O2L 11288 0 0 0 -0.65 11294 11292 OS4 SLES 1 -1.25222 -7.74684 -41.4408 O2L 11288 0 0 0 -0.65 11295 11293 C2 SLES 1 -0.0795072 -5.61165 -40.0559 CC32A 11289 11294 11295 11296 -0.11 11296 11294 H2A SLES 1 -1.19218 -5.55909 -39.8935 HCA2 11293 0 0 0 0.09 11297 11295 H2B SLES 1 0.305959 -6.57815 -39.6275 HCA2 11293 0 0 0 0.09 11298 11296 C1 SLES 1 0.631789 -4.37513 -39.3273 CC32A 11293 11297 11298 11299 -0.01 11299 11297 H1B SLES 1 0.318617 -3.4202 -39.8087 HCA2 11296 0 0 0 0.09 11300 11298 H1A SLES 1 1.73948 -4.47238 -39.4091 HCA2 11296 0 0 0 0.09 11301 11299 O1 SLES 1 0.391675 -4.1213 -37.8935 OC30A 11296 11300 0 0 -0.34 11302 11300 C2 SLES 1 -0.146384 -5.21797 -37.1251 CC32A 11299 11301 11302 11303 -0.01 11303 11301 H2A SLES 1 -1.11166 -5.39966 -37.637 HCA2 11300 0 0 0 0.09 11304 11302 H2B SLES 1 0.552315 -6.0489 -37.3715 HCA2 11300 0 0 0 0.09 11305 11303 C1 SLES 1 -0.377609 -5.16766 -35.5819 CC32A 11300 11304 11305 11306 -0.01 11306 11304 H1B SLES 1 -1.40708 -4.80618 -35.3685 HCA2 11303 0 0 0 0.09 11307 11305 H1A SLES 1 -0.264939 -6.1871 -35.1616 HCA2 11303 0 0 0 0.09 11308 11306 O1 SLES 1 0.386178 -4.30077 -34.6831 OC30A 11303 11307 0 0 -0.34 11309 11307 C1 SLES 1 0.558045 -4.81945 -33.3136 CTL2 11306 11308 11309 11310 -0.18 11310 11308 H11 SLES 1 -0.10766 -5.69551 -33.2109 HAL2 11307 0 0 0 0.09 11311 11309 H12 SLES 1 1.60926 -5.17328 -33.3458 HAL2 11307 0 0 0 0.09 11312 11310 C2 SLES 1 0.356026 -3.85272 -32.0804 CTL2 11307 11311 11312 11313 -0.18 11313 11311 H21 SLES 1 0.0527893 -2.84789 -32.4508 HAL2 11310 0 0 0 0.09 11314 11312 H22 SLES 1 1.32451 -3.74242 -31.5452 HAL2 11310 0 0 0 0.09 11315 11313 C3 SLES 1 -0.755149 -4.38993 -31.0532 CTL2 11310 11314 11315 11316 -0.18 11316 11314 H31 SLES 1 -1.68998 -3.80259 -31.1925 HAL2 11313 0 0 0 0.09 11317 11315 H32 SLES 1 -0.981329 -5.44934 -31.2871 HAL2 11313 0 0 0 0.09 11318 11316 C4 SLES 1 -0.301927 -4.28312 -29.5381 CTL2 11313 11317 11318 11319 -0.18 11319 11317 H41 SLES 1 -0.796113 -3.40309 -29.0761 HAL2 11316 0 0 0 0.09 11320 11318 H42 SLES 1 0.796553 -4.11992 -29.4964 HAL2 11316 0 0 0 0.09 11321 11319 C5 SLES 1 -0.664259 -5.58799 -28.695 CTL2 11316 11320 11321 11322 -0.18 11322 11320 H51 SLES 1 -1.44031 -6.16893 -29.2406 HAL2 11319 0 0 0 0.09 11323 11321 H52 SLES 1 0.243792 -6.2274 -28.6082 HAL2 11319 0 0 0 0.09 11324 11322 C6 SLES 1 -1.19752 -5.25676 -27.2503 CTL2 11319 11323 11324 11325 -0.18 11325 11323 H61 SLES 1 -2.22358 -4.83271 -27.3306 HAL2 11322 0 0 0 0.09 11326 11324 H62 SLES 1 -1.26214 -6.20223 -26.6626 HAL2 11322 0 0 0 0.09 11327 11325 C7 SLES 1 -0.286577 -4.24463 -26.486 CTL2 11322 11326 11327 11328 -0.18 11328 11326 H71 SLES 1 -0.529723 -3.21232 -26.8222 HAL2 11325 0 0 0 0.09 11329 11327 H72 SLES 1 0.777272 -4.44754 -26.7418 HAL2 11325 0 0 0 0.09 11330 11328 C8 SLES 1 -0.460979 -4.32751 -24.9491 CTL2 11325 11329 11330 11331 -0.18 11331 11329 H81 SLES 1 -1.54821 -4.35157 -24.7067 HAL2 11328 0 0 0 0.09 11332 11330 H82 SLES 1 -0.00546232 -5.27524 -24.5818 HAL2 11328 0 0 0 0.09 11333 11331 C9 SLES 1 0.195175 -3.13206 -24.2138 CTL2 11328 11332 11333 11334 -0.18 11334 11332 H91 SLES 1 -0.239744 -2.18346 -24.6028 HAL2 11331 0 0 0 0.09 11335 11333 H92 SLES 1 1.28646 -3.12526 -24.4341 HAL2 11331 0 0 0 0.09 11336 11334 C10 SLES 1 -0.00990787 -3.18956 -22.6814 CTL2 11331 11335 11336 11337 -0.18 11337 11335 H10 SLES 1 -1.1014 -3.17279 -22.4597 HAL2 11334 0 0 0 0.09 11338 11336 H10 SLES 1 0.404972 -4.14787 -22.2947 HAL2 11334 0 0 0 0.09 11339 11337 C11 SLES 1 0.6747 -2.00732 -21.9455 CTL2 11334 11338 11339 11340 -0.18 11340 11338 H11 SLES 1 0.251512 -1.05153 -22.3308 HAL2 11337 0 0 0 0.09 11341 11339 H11 SLES 1 1.76265 -2.01768 -22.1846 HAL2 11337 0 0 0 0.09 11342 11340 C12 SLES 1 0.501269 -2.04548 -20.405 CTL3 11337 11341 11342 11343 -0.27 11343 11341 H12 SLES 1 -0.0138196 -1.12525 -20.0512 HAL3 11340 0 0 0 0.09 11344 11342 H12 SLES 1 1.49322 -2.1106 -19.9059 HAL3 11340 0 0 0 0.09 11345 11343 H12 SLES 1 -0.104743 -2.92815 -20.1054 HAL3 11340 0 0 0 0.09 11346 11344 NA SLES 1 -5.51399 -0.890773 -43.8279 NA 0 0 0 0 1 11347 11345 S SLES 1 -2.71715 1.20251 -42.7573 SL 11346 11347 11348 11349 1.33 11348 11346 OS1 SLES 1 -3.76317 0.413531 -41.7129 OSL 11345 11350 0 0 -0.28 11349 11347 OS2 SLES 1 -2.12707 0.178813 -43.5947 O2L 11345 0 0 0 -0.65 11350 11348 OS3 SLES 1 -3.53875 2.08299 -43.5612 O2L 11345 0 0 0 -0.65 11351 11349 OS4 SLES 1 -1.67063 1.96727 -42.0982 O2L 11345 0 0 0 -0.65 11352 11350 C2 SLES 1 -3.26535 0.511894 -40.3119 CC32A 11346 11351 11352 11353 -0.11 11353 11351 H2A SLES 1 -2.21359 0.117998 -40.2356 HCA2 11350 0 0 0 0.09 11354 11352 H2B SLES 1 -3.27198 1.59469 -40.0057 HCA2 11350 0 0 0 0.09 11355 11353 C1 SLES 1 -4.22848 -0.32907 -39.347 CC32A 11350 11354 11355 11356 -0.01 11356 11354 H1B SLES 1 -4.29304 -1.38364 -39.7013 HCA2 11353 0 0 0 0.09 11357 11355 H1A SLES 1 -5.25136 0.114599 -39.3512 HCA2 11353 0 0 0 0.09 11358 11356 O1 SLES 1 -3.8994 -0.47648 -37.916 OC30A 11353 11357 0 0 -0.34 11359 11357 C2 SLES 1 -2.95271 0.466539 -37.3709 CC32A 11356 11358 11359 11360 -0.01 11360 11358 H2A SLES 1 -2.0523 0.260951 -37.9823 HCA2 11357 0 0 0 0.09 11361 11359 H2B SLES 1 -3.38237 1.44502 -37.6829 HCA2 11357 0 0 0 0.09 11362 11360 C1 SLES 1 -2.55455 0.525757 -35.8625 CC32A 11357 11361 11362 11363 -0.01 11363 11361 H1B SLES 1 -1.67109 -0.124579 -35.6819 HCA2 11360 0 0 0 0.09 11364 11362 H1A SLES 1 -2.28885 1.56805 -35.5948 HCA2 11360 0 0 0 0.09 11365 11363 O1 SLES 1 -3.43003 0.0686151 -34.7821 OC30A 11360 11364 0 0 -0.34 11366 11364 C1 SLES 1 -3.25577 0.77266 -33.4983 CTL2 11363 11365 11366 11367 -0.18 11367 11365 H11 SLES 1 -2.34243 1.38857 -33.5857 HAL2 11364 0 0 0 0.09 11368 11366 H12 SLES 1 -4.13905 1.4443 -33.4975 HAL2 11364 0 0 0 0.09 11369 11367 C2 SLES 1 -3.21066 -0.0544206 -32.1529 CTL2 11364 11368 11369 11370 -0.18 11370 11368 H21 SLES 1 -3.28603 -1.13943 -32.3893 HAL2 11367 0 0 0 0.09 11371 11369 H22 SLES 1 -4.08884 0.221904 -31.5292 HAL2 11367 0 0 0 0.09 11372 11370 C3 SLES 1 -1.8662 0.20717 -31.3148 CTL2 11367 11371 11372 11373 -0.18 11373 11371 H31 SLES 1 -1.18721 -0.665607 -31.4394 HAL2 11370 0 0 0 0.09 11374 11372 H32 SLES 1 -1.35219 1.09901 -31.7254 HAL2 11370 0 0 0 0.09 11375 11373 C4 SLES 1 -2.13363 0.433866 -29.7691 CTL2 11370 11374 11375 11376 -0.18 11376 11374 H41 SLES 1 -1.88443 -0.498374 -29.2205 HAL2 11373 0 0 0 0.09 11377 11375 H42 SLES 1 -3.21345 0.644878 -29.6126 HAL2 11373 0 0 0 0.09 11378 11376 C5 SLES 1 -1.27786 1.63837 -29.1677 CTL2 11373 11377 11378 11379 -0.18 11379 11377 H51 SLES 1 -0.435211 1.86504 -29.8576 HAL2 11376 0 0 0 0.09 11380 11378 H52 SLES 1 -1.92205 2.54502 -29.1049 HAL2 11376 0 0 0 0.09 11381 11379 C6 SLES 1 -0.695577 1.32383 -27.7382 CTL2 11376 11380 11381 11382 -0.18 11382 11380 H61 SLES 1 0.127784 0.581298 -27.8372 HAL2 11379 0 0 0 0.09 11383 11381 H62 SLES 1 -0.264795 2.25854 -27.309 HAL2 11379 0 0 0 0.09 11384 11382 C7 SLES 1 -1.77207 0.762736 -26.7561 CTL2 11379 11383 11384 11385 -0.18 11385 11383 H71 SLES 1 -1.90824 -0.32435 -26.9496 HAL2 11382 0 0 0 0.09 11386 11384 H72 SLES 1 -2.74278 1.27065 -26.9512 HAL2 11382 0 0 0 0.09 11387 11385 C8 SLES 1 -1.3866 0.964691 -25.2694 CTL2 11382 11386 11387 11388 -0.18 11388 11386 H81 SLES 1 -0.324694 0.660395 -25.1239 HAL2 11385 0 0 0 0.09 11389 11387 H82 SLES 1 -1.47281 2.04559 -25.0148 HAL2 11385 0 0 0 0.09 11390 11388 C9 SLES 1 -2.28414 0.145005 -24.3088 CTL2 11385 11389 11390 11391 -0.18 11391 11389 H91 SLES 1 -2.22035 -0.932528 -24.583 HAL2 11388 0 0 0 0.09 11392 11390 H92 SLES 1 -3.34167 0.469411 -24.4348 HAL2 11388 0 0 0 0.09 11393 11391 C10 SLES 1 -1.8783 0.31258 -22.8253 CTL2 11388 11392 11393 11394 -0.18 11394 11392 H10 SLES 1 -0.827764 -0.0338305 -22.6943 HAL2 11391 0 0 0 0.09 11395 11393 H10 SLES 1 -1.92048 1.39239 -22.5565 HAL2 11391 0 0 0 0.09 11396 11394 C11 SLES 1 -2.79843 -0.485352 -21.8637 CTL2 11391 11395 11396 11397 -0.18 11397 11395 H11 SLES 1 -2.74746 -1.56536 -22.1323 HAL2 11394 0 0 0 0.09 11398 11396 H11 SLES 1 -3.84985 -0.148154 -22.0112 HAL2 11394 0 0 0 0.09 11399 11397 C12 SLES 1 -2.42739 -0.3246 -20.3667 CTL3 11394 11398 11399 11400 -0.27 11400 11398 H12 SLES 1 -2.18482 -1.31412 -19.9202 HAL3 11397 0 0 0 0.09 11401 11399 H12 SLES 1 -3.27747 0.119626 -19.8034 HAL3 11397 0 0 0 0.09 11402 11400 H12 SLES 1 -1.54315 0.340263 -20.2563 HAL3 11397 0 0 0 0.09 3 1 NA SLES 1 9.17645 -10.7206 41.8682 NA 0 0 0 0 1 4 2 S SLES 1 7.28471 -7.61138 41.5453 SL 3 4 5 6 1.33 5 3 OS1 SLES 1 7.84361 -8.5181 40.2519 OSL 2 7 0 0 -0.28 6 4 OS2 SLES 1 6.43972 -8.4912 42.3259 O2L 2 0 0 0 -0.65 7 5 OS3 SLES 1 8.45489 -7.24267 42.3143 O2L 2 0 0 0 -0.65 8 6 OS4 SLES 1 6.5437 -6.4181 41.1692 O2L 2 0 0 0 -0.65 9 7 C2 SLES 1 7.28073 -7.99677 38.9745 CC32A 3 8 9 10 -0.11 10 8 H2A SLES 1 6.15622 -7.96926 39.018 HCA2 7 0 0 0 0.09 11 9 H2B SLES 1 7.66486 -6.95112 38.8154 HCA2 7 0 0 0 0.09 12 10 C1 SLES 1 7.75176 -8.93601 37.7655 CC32A 7 11 12 13 -0.01 13 11 H1B SLES 1 7.44868 -9.98985 37.9639 HCA2 10 0 0 0 0.09 14 12 H1A SLES 1 8.8612 -8.89454 37.6626 HCA2 10 0 0 0 0.09 15 13 O1 SLES 1 7.24829 -8.69464 36.3994 OC30A 10 14 0 0 -0.34 16 14 C2 SLES 1 6.67805 -7.39419 36.1421 CC32A 13 15 16 17 -0.01 17 15 H2A SLES 1 5.8336 -7.37258 36.8585 HCA2 14 0 0 0 0.09 18 16 H2B SLES 1 7.47471 -6.70687 36.5058 HCA2 14 0 0 0 0.09 19 17 C1 SLES 1 6.18122 -6.92479 34.7385 CC32A 14 18 19 20 -0.01 20 18 H1B SLES 1 5.10418 -7.17342 34.6193 HCA2 17 0 0 0 0.09 21 19 H1A SLES 1 6.30332 -5.82623 34.6556 HCA2 17 0 0 0 0.09 22 20 O1 SLES 1 6.70488 -7.46004 33.4806 OC30A 17 21 0 0 -0.34 23 21 C1 SLES 1 6.68046 -6.52004 32.3449 CTL2 20 22 23 24 -0.18 24 22 H11 SLES 1 6.08139 -5.64588 32.6582 HAL2 21 0 0 0 0.09 25 23 H12 SLES 1 7.74701 -6.21896 32.2894 HAL2 21 0 0 0 0.09 26 24 C2 SLES 1 6.19027 -7.01839 30.9281 CTL2 21 25 26 27 -0.18 27 25 H21 SLES 1 5.87371 -8.08263 31.0054 HAL2 24 0 0 0 0.09 28 26 H22 SLES 1 7.03973 -6.96501 30.2124 HAL2 24 0 0 0 0.09 29 27 C3 SLES 1 4.96685 -6.14774 30.3592 CTL2 24 28 29 30 -0.18 30 28 H31 SLES 1 4.02485 -6.72841 30.4765 HAL2 27 0 0 0 0.09 31 29 H32 SLES 1 4.87226 -5.22149 30.9603 HAL2 27 0 0 0 0.09 32 30 C4 SLES 1 5.14208 -5.75521 28.8336 CTL2 27 31 32 33 -0.18 33 31 H41 SLES 1 4.50502 -6.42157 28.2153 HAL2 30 0 0 0 0.09 34 32 H42 SLES 1 6.19977 -5.9182 28.534 HAL2 30 0 0 0 0.09 35 33 C5 SLES 1 4.74859 -4.23727 28.5406 CTL2 30 34 35 36 -0.18 36 34 H51 SLES 1 4.12855 -3.85424 29.381 HAL2 33 0 0 0 0.09 37 35 H52 SLES 1 5.67761 -3.62434 28.4938 HAL2 33 0 0 0 0.09 38 36 C6 SLES 1 3.94911 -4.05916 27.1951 CTL2 33 37 38 39 -0.18 39 37 H61 SLES 1 2.92085 -4.46436 27.3277 HAL2 36 0 0 0 0.09 40 38 H62 SLES 1 3.86228 -2.97113 26.9668 HAL2 36 0 0 0 0.09 41 39 C7 SLES 1 4.62845 -4.77913 25.9874 CTL2 36 40 41 42 -0.18 42 40 H71 SLES 1 4.36272 -5.85918 26.0128 HAL2 39 0 0 0 0.09 43 41 H72 SLES 1 5.73347 -4.69477 26.0882 HAL2 39 0 0 0 0.09 44 42 C8 SLES 1 4.19943 -4.18735 24.6217 CTL2 39 43 44 45 -0.18 45 43 H81 SLES 1 3.09242 -4.06157 24.6109 HAL2 42 0 0 0 0.09 46 44 H82 SLES 1 4.6613 -3.18114 24.4999 HAL2 42 0 0 0 0.09 47 45 C9 SLES 1 4.61856 -5.08448 23.4301 CTL2 42 46 47 48 -0.18 48 46 H91 SLES 1 4.18057 -6.09914 23.5679 HAL2 45 0 0 0 0.09 49 47 H92 SLES 1 5.72717 -5.18676 23.4253 HAL2 45 0 0 0 0.09 50 48 C10 SLES 1 4.15813 -4.51755 22.0663 CTL2 45 49 50 51 -0.18 51 49 H10 SLES 1 3.04715 -4.43705 22.0623 HAL2 48 0 0 0 0.09 52 50 H10 SLES 1 4.57764 -3.49408 21.9376 HAL2 48 0 0 0 0.09 53 51 C11 SLES 1 4.60617 -5.40262 20.8731 CTL2 48 52 53 54 -0.18 54 52 H11 SLES 1 4.17848 -6.42308 21.0029 HAL2 51 0 0 0 0.09 55 53 H11 SLES 1 5.71616 -5.49487 20.8918 HAL2 51 0 0 0 0.09 56 54 C12 SLES 1 4.17382 -4.85188 19.4895 CTL3 51 55 56 57 -0.27 57 55 H12 SLES 1 3.53156 -5.59161 18.9626 HAL3 54 0 0 0 0.09 58 56 H12 SLES 1 5.06696 -4.64552 18.8593 HAL3 54 0 0 0 0.09 59 57 H12 SLES 1 3.59998 -3.90737 19.6109 HAL3 54 0 0 0 0.09 60 58 NA SLES 1 -18.3966 -8.88801 39.1746 NA 0 0 0 0 1 61 59 S SLES 1 -19.5052 -5.71846 37.734 SL 60 61 62 63 1.33 62 60 OS1 SLES 1 -18.3475 -6.71661 37.048 OSL 59 64 0 0 -0.28 63 61 OS2 SLES 1 -20.7063 -6.51688 37.866 O2L 59 0 0 0 -0.65 64 62 OS3 SLES 1 -19.0043 -5.36241 39.0451 O2L 59 0 0 0 -0.65 65 63 OS4 SLES 1 -19.7921 -4.51474 36.9704 O2L 59 0 0 0 -0.65 66 64 C2 SLES 1 -17.9991 -6.23897 35.6802 CC32A 60 65 66 67 -0.11 67 65 H2A SLES 1 -18.922 -6.15876 35.0406 HCA2 64 0 0 0 0.09 68 66 H2B SLES 1 -17.5263 -5.22152 35.7668 HCA2 64 0 0 0 0.09 69 67 C1 SLES 1 -16.9642 -7.26115 35.0095 CC32A 64 68 69 70 -0.01 70 68 H1B SLES 1 -17.3962 -8.28833 35.003 HCA2 67 0 0 0 0.09 71 69 H1A SLES 1 -16.0133 -7.27502 35.5915 HCA2 67 0 0 0 0.09 72 70 O1 SLES 1 -16.5344 -7.07016 33.6107 OC30A 67 71 0 0 -0.34 73 71 C2 SLES 1 -16.7484 -5.76089 33.0427 CC32A 70 72 73 74 -0.01 74 72 H2A SLES 1 -17.8497 -5.66347 33.1097 HCA2 71 0 0 0 0.09 75 73 H2B SLES 1 -16.2824 -5.09171 33.8006 HCA2 71 0 0 0 0.09 76 74 C1 SLES 1 -16.2754 -5.3447 31.6143 CC32A 71 75 76 77 -0.01 77 75 H1B SLES 1 -17.0819 -5.55072 30.8773 HCA2 74 0 0 0 0.09 78 76 H1A SLES 1 -16.054 -4.25866 31.6041 HCA2 74 0 0 0 0.09 79 77 O1 SLES 1 -15.1419 -5.96881 30.9299 OC30A 74 78 0 0 -0.34 80 78 C1 SLES 1 -14.4196 -5.09017 29.9917 CTL2 77 79 80 81 -0.18 81 79 H11 SLES 1 -15.0263 -4.17463 29.8697 HAL2 78 0 0 0 0.09 82 80 H12 SLES 1 -13.5136 -4.84061 30.5818 HAL2 78 0 0 0 0.09 83 81 C2 SLES 1 -13.9988 -5.64039 28.5717 CTL2 78 82 83 84 -0.18 84 82 H21 SLES 1 -14.3701 -6.68376 28.4604 HAL2 81 0 0 0 0.09 85 83 H22 SLES 1 -12.8889 -5.66318 28.5072 HAL2 81 0 0 0 0.09 86 84 C3 SLES 1 -14.5779 -4.74709 27.3695 CTL2 81 85 86 87 -0.18 87 85 H31 SLES 1 -15.4401 -5.27786 26.9079 HAL2 84 0 0 0 0.09 88 86 H32 SLES 1 -14.9498 -3.78697 27.7795 HAL2 84 0 0 0 0.09 89 87 C4 SLES 1 -13.5002 -4.44421 26.2475 CTL2 84 88 89 90 -0.18 90 88 H41 SLES 1 -13.6852 -5.11314 25.3812 HAL2 87 0 0 0 0.09 91 89 H42 SLES 1 -12.487 -4.67014 26.6442 HAL2 87 0 0 0 0.09 92 90 C5 SLES 1 -13.537 -2.9278 25.7536 CTL2 87 91 92 93 -0.18 93 91 H51 SLES 1 -14.5085 -2.47333 26.0486 HAL2 90 0 0 0 0.09 94 92 H52 SLES 1 -12.7251 -2.36052 26.2635 HAL2 90 0 0 0 0.09 95 93 C6 SLES 1 -13.3603 -2.78554 24.1948 CTL2 90 94 95 96 -0.18 96 94 H61 SLES 1 -14.2887 -3.13659 23.6909 HAL2 93 0 0 0 0.09 97 95 H62 SLES 1 -13.2197 -1.70834 23.9432 HAL2 93 0 0 0 0.09 98 96 C7 SLES 1 -12.1448 -3.59825 23.6467 CTL2 93 97 98 99 -0.18 99 97 H71 SLES 1 -12.4454 -4.66242 23.5245 HAL2 96 0 0 0 0.09 100 98 H72 SLES 1 -11.3161 -3.55835 24.3883 HAL2 96 0 0 0 0.09 101 99 C8 SLES 1 -11.632 -3.06102 22.2873 CTL2 96 100 101 102 -0.18 102 100 H81 SLES 1 -12.5017 -2.88644 21.6132 HAL2 99 0 0 0 0.09 103 101 H82 SLES 1 -11.122 -2.08442 22.451 HAL2 99 0 0 0 0.09 104 102 C9 SLES 1 -10.6461 -4.03793 21.5988 CTL2 99 103 104 105 -0.18 105 103 H91 SLES 1 -11.1471 -5.02319 21.4623 HAL2 102 0 0 0 0.09 106 104 H92 SLES 1 -9.76412 -4.18997 22.261 HAL2 102 0 0 0 0.09 107 105 C10 SLES 1 -10.1612 -3.52397 20.2226 CTL2 102 106 107 108 -0.18 108 106 H10 SLES 1 -11.0413 -3.39402 19.5522 HAL2 105 0 0 0 0.09 109 107 H10 SLES 1 -9.6798 -2.52862 20.3551 HAL2 105 0 0 0 0.09 110 108 C11 SLES 1 -9.15036 -4.49024 19.5499 CTL2 105 109 110 111 -0.18 111 109 H11 SLES 1 -9.63876 -5.48217 19.4133 HAL2 108 0 0 0 0.09 112 110 H11 SLES 1 -8.28069 -4.63108 20.2316 HAL2 108 0 0 0 0.09 113 111 C12 SLES 1 -8.63231 -3.99474 18.1749 CTL3 108 112 113 114 -0.27 114 112 H12 SLES 1 -8.88098 -4.73179 17.3797 HAL3 111 0 0 0 0.09 115 113 H12 SLES 1 -7.5282 -3.86235 18.2027 HAL3 111 0 0 0 0.09 116 114 H12 SLES 1 -9.09952 -3.02033 17.9134 HAL3 111 0 0 0 0.09 117 115 NA SLES 1 -9.57901 23.0156 36.4775 NA 0 0 0 0 1 118 116 S SLES 1 -10.7404 24.6138 33.4038 SL 117 118 119 120 1.33 119 117 OS1 SLES 1 -9.85053 23.195 33.4552 OSL 116 121 0 0 -0.28 120 118 OS2 SLES 1 -11.9373 24.3736 34.1831 O2L 116 0 0 0 -0.65 121 119 OS3 SLES 1 -9.92708 25.623 34.0493 O2L 116 0 0 0 -0.65 122 120 OS4 SLES 1 -11.1008 25.0509 32.0646 O2L 116 0 0 0 -0.65 123 121 C2 SLES 1 -9.78852 22.5753 32.1016 CC32A 117 122 123 124 -0.11 124 122 H2A SLES 1 -10.8242 22.4111 31.6922 HCA2 121 0 0 0 0.09 125 123 H2B SLES 1 -9.23156 23.2716 31.4151 HCA2 121 0 0 0 0.09 126 124 C1 SLES 1 -9.01617 21.1751 32.1947 CC32A 121 125 126 127 -0.01 127 125 H1B SLES 1 -9.51596 20.5154 32.9409 HCA2 124 0 0 0 0.09 128 126 H1A SLES 1 -7.96133 21.3439 32.514 HCA2 124 0 0 0 0.09 129 127 O1 SLES 1 -8.90421 20.3094 31.0048 OC30A 124 128 0 0 -0.34 130 128 C2 SLES 1 -9.14105 20.9357 29.7264 CC32A 127 129 130 131 -0.01 131 129 H2A SLES 1 -10.187 21.2832 29.836 HCA2 128 0 0 0 0.09 132 130 H2B SLES 1 -8.46402 21.8187 29.7629 HCA2 128 0 0 0 0.09 133 131 C1 SLES 1 -8.97665 20.2053 28.3564 CC32A 128 132 133 134 -0.01 134 132 H1B SLES 1 -9.94367 19.7447 28.0584 HCA2 131 0 0 0 0.09 135 133 H1A SLES 1 -8.68054 20.9415 27.5825 HCA2 131 0 0 0 0.09 136 134 O1 SLES 1 -8.08119 19.0647 28.1566 OC30A 131 135 0 0 -0.34 137 135 C1 SLES 1 -7.52707 18.938 26.7961 CTL2 134 136 137 138 -0.18 138 136 H11 SLES 1 -8.07329 19.6523 26.1539 HAL2 135 0 0 0 0.09 139 137 H12 SLES 1 -6.49374 19.3132 26.9468 HAL2 135 0 0 0 0.09 140 138 C2 SLES 1 -7.48584 17.5214 26.0976 CTL2 135 139 140 141 -0.18 141 139 H21 SLES 1 -7.95184 16.7687 26.7721 HAL2 138 0 0 0 0.09 142 140 H22 SLES 1 -6.42521 17.228 25.9379 HAL2 138 0 0 0 0.09 143 141 C3 SLES 1 -8.25396 17.5083 24.6875 CTL2 138 142 143 144 -0.18 144 142 H31 SLES 1 -9.23713 17.0033 24.8164 HAL2 141 0 0 0 0.09 145 143 H32 SLES 1 -8.44724 18.5529 24.3716 HAL2 141 0 0 0 0.09 146 144 C4 SLES 1 -7.44133 16.7677 23.5459 CTL2 141 145 146 147 -0.18 147 145 H41 SLES 1 -7.87043 15.7547 23.3983 HAL2 144 0 0 0 0.09 148 146 H42 SLES 1 -6.38471 16.6482 23.8689 HAL2 144 0 0 0 0.09 149 147 C5 SLES 1 -7.47328 17.5555 22.1591 CTL2 144 148 149 150 -0.18 150 148 H51 SLES 1 -8.31369 18.2842 22.1747 HAL2 147 0 0 0 0.09 151 149 H52 SLES 1 -6.5251 18.1292 22.046 HAL2 147 0 0 0 0.09 152 150 C6 SLES 1 -7.64731 16.6034 20.9163 CTL2 147 151 152 153 -0.18 153 151 H61 SLES 1 -8.69051 16.2155 20.8997 HAL2 150 0 0 0 0.09 154 152 H62 SLES 1 -7.48554 17.1926 19.9834 HAL2 150 0 0 0 0.09 155 153 C7 SLES 1 -6.65564 15.3974 20.934 CTL2 150 154 155 156 -0.18 156 154 H71 SLES 1 -7.05721 14.6074 21.6067 HAL2 153 0 0 0 0.09 157 155 H72 SLES 1 -5.67877 15.7355 21.346 HAL2 153 0 0 0 0.09 158 156 C8 SLES 1 -6.42746 14.7917 19.5267 CTL2 153 157 158 159 -0.18 159 157 H81 SLES 1 -7.41224 14.6623 19.0218 HAL2 156 0 0 0 0.09 160 158 H82 SLES 1 -5.81996 15.5008 18.9195 HAL2 156 0 0 0 0.09 161 159 C9 SLES 1 -5.70331 13.4231 19.5818 CTL2 156 160 161 162 -0.18 162 160 H91 SLES 1 -6.29653 12.7236 20.2135 HAL2 159 0 0 0 0.09 163 161 H92 SLES 1 -4.70767 13.5585 20.0612 HAL2 159 0 0 0 0.09 164 162 C10 SLES 1 -5.50789 12.7954 18.1814 CTL2 159 163 164 165 -0.18 165 163 H10 SLES 1 -6.50526 12.6382 17.7109 HAL2 162 0 0 0 0.09 166 164 H10 SLES 1 -4.93381 13.5038 17.5422 HAL2 162 0 0 0 0.09 167 165 C11 SLES 1 -4.75511 11.4396 18.2377 CTL2 162 166 167 168 -0.18 168 166 H11 SLES 1 -5.33666 10.7325 18.8725 HAL2 165 0 0 0 0.09 169 167 H11 SLES 1 -3.76608 11.5985 18.7251 HAL2 165 0 0 0 0.09 170 168 C12 SLES 1 -4.52865 10.7922 16.847 CTL3 165 169 170 171 -0.27 171 169 H12 SLES 1 -5.00853 9.78958 16.8046 HAL3 168 0 0 0 0.09 172 170 H12 SLES 1 -3.44062 10.673 16.6487 HAL3 168 0 0 0 0.09 173 171 H12 SLES 1 -4.96686 11.4288 16.0477 HAL3 168 0 0 0 0.09 174 172 NA SLES 1 25.8807 18.0046 30.9533 NA 0 0 0 0 1 175 173 S SLES 1 23.3125 20.2822 29.7014 SL 174 175 176 177 1.33 176 174 OS1 SLES 1 23.5698 18.7328 29.1177 OSL 173 178 0 0 -0.28 177 175 OS2 SLES 1 23.0417 20.1454 31.1175 O2L 173 0 0 0 -0.65 178 176 OS3 SLES 1 24.5556 20.9982 29.5048 O2L 173 0 0 0 -0.65 179 177 OS4 SLES 1 22.2228 20.9963 29.0555 O2L 173 0 0 0 -0.65 180 178 C2 SLES 1 22.4784 18.3468 28.1795 CC32A 174 179 180 181 -0.11 181 179 H2A SLES 1 21.4732 18.4512 28.6753 HCA2 178 0 0 0 0.09 182 180 H2B SLES 1 22.5169 19.0302 27.2863 HCA2 178 0 0 0 0.09 183 181 C1 SLES 1 22.6945 16.8306 27.7104 CC32A 178 182 183 184 -0.01 184 182 H1B SLES 1 22.7452 16.1619 28.6004 HCA2 181 0 0 0 0.09 185 183 H1A SLES 1 23.6483 16.7421 27.1398 HCA2 181 0 0 0 0.09 186 184 O1 SLES 1 21.6921 16.1698 26.8523 OC30A 181 185 0 0 -0.34 187 185 C2 SLES 1 20.7733 17.0336 26.1505 CC32A 184 186 187 188 -0.01 188 186 H2A SLES 1 20.2637 17.5487 26.9882 HCA2 185 0 0 0 0.09 189 187 H2B SLES 1 21.4576 17.7545 25.6491 HCA2 185 0 0 0 0.09 190 188 C1 SLES 1 19.7087 16.5239 25.1287 CC32A 185 189 190 191 -0.01 191 189 H1B SLES 1 18.7541 16.3099 25.657 HCA2 188 0 0 0 0.09 192 190 H1A SLES 1 19.5255 17.3095 24.3686 HCA2 188 0 0 0 0.09 193 191 O1 SLES 1 19.8578 15.2845 24.3642 OC30A 188 192 0 0 -0.34 194 192 C1 SLES 1 19.2025 15.284 23.0434 CTL2 191 193 194 195 -0.18 195 193 H11 SLES 1 18.5649 16.1853 22.9956 HAL2 192 0 0 0 0.09 196 194 H12 SLES 1 20.0723 15.4274 22.3695 HAL2 192 0 0 0 0.09 197 195 C2 SLES 1 18.3712 14.0216 22.5835 CTL2 192 196 197 198 -0.18 198 196 H21 SLES 1 18.3688 13.2685 23.403 HAL2 195 0 0 0 0.09 199 197 H22 SLES 1 18.8677 13.5644 21.6997 HAL2 195 0 0 0 0.09 200 198 C3 SLES 1 16.8546 14.3885 22.2044 CTL2 195 199 200 201 -0.18 201 199 H31 SLES 1 16.1864 14.0634 23.0327 HAL2 198 0 0 0 0.09 202 200 H32 SLES 1 16.7629 15.4885 22.1055 HAL2 198 0 0 0 0.09 203 201 C4 SLES 1 16.3708 13.7088 20.8568 CTL2 198 202 203 204 -0.18 204 202 H41 SLES 1 15.7341 12.8337 21.1038 HAL2 201 0 0 0 0.09 205 203 H42 SLES 1 17.2563 13.3402 20.2955 HAL2 201 0 0 0 0.09 206 204 C5 SLES 1 15.5465 14.7083 19.926 CTL2 201 205 206 207 -0.18 207 205 H51 SLES 1 15.1971 15.5692 20.5376 HAL2 204 0 0 0 0.09 208 206 H52 SLES 1 16.2206 15.1037 19.1322 HAL2 204 0 0 0 0.09 209 207 C6 SLES 1 14.2996 14.0266 19.2464 CTL2 204 208 209 210 -0.18 210 208 H61 SLES 1 13.5169 13.8504 20.018 HAL2 207 0 0 0 0.09 211 209 H62 SLES 1 13.8783 14.7217 18.483 HAL2 207 0 0 0 0.09 212 210 C7 SLES 1 14.6515 12.6695 18.5588 CTL2 207 211 212 213 -0.18 213 211 H71 SLES 1 14.68 11.8685 19.3304 HAL2 210 0 0 0 0.09 214 212 H72 SLES 1 15.6641 12.7441 18.1034 HAL2 210 0 0 0 0.09 215 213 C8 SLES 1 13.6322 12.2747 17.4612 CTL2 210 214 215 216 -0.18 216 214 H81 SLES 1 12.5996 12.4191 17.8541 HAL2 213 0 0 0 0.09 217 215 H82 SLES 1 13.7636 12.9477 16.5834 HAL2 213 0 0 0 0.09 218 216 C9 SLES 1 13.7977 10.8045 17.0012 CTL2 213 217 218 219 -0.18 219 217 H91 SLES 1 13.6955 10.134 17.8845 HAL2 216 0 0 0 0.09 220 218 H92 SLES 1 14.8204 10.6681 16.583 HAL2 216 0 0 0 0.09 221 219 C10 SLES 1 12.7567 10.3934 15.9331 CTL2 216 220 221 222 -0.18 222 220 H10 SLES 1 11.7339 10.5075 16.3593 HAL2 219 0 0 0 0.09 223 221 H10 SLES 1 12.8433 11.0774 15.0587 HAL2 219 0 0 0 0.09 224 222 C11 SLES 1 12.9448 8.92997 15.4525 CTL2 219 223 224 225 -0.18 225 223 H11 SLES 1 12.8504 8.24941 16.3294 HAL2 222 0 0 0 0.09 226 224 H11 SLES 1 13.9748 8.81624 15.0438 HAL2 222 0 0 0 0.09 227 225 C12 SLES 1 11.9259 8.49238 14.3685 CTL3 222 226 227 228 -0.27 228 226 H12 SLES 1 11.3349 7.61943 14.7235 HAL3 225 0 0 0 0.09 229 227 H12 SLES 1 12.4558 8.20511 13.4335 HAL3 225 0 0 0 0.09 230 228 H12 SLES 1 11.2253 9.32418 14.1374 HAL3 225 0 0 0 0.09 231 229 NA SLES 1 31.7862 -18.4893 24.4922 NA 0 0 0 0 1 232 230 S SLES 1 30.195 -15.6206 26.1012 SL 231 232 233 234 1.33 233 231 OS1 SLES 1 29.8421 -16.1533 24.5523 OSL 230 235 0 0 -0.28 234 232 OS2 SLES 1 29.9438 -16.74 26.9851 O2L 230 0 0 0 -0.65 235 233 OS3 SLES 1 31.6066 -15.298 26.1043 O2L 230 0 0 0 -0.65 236 234 OS4 SLES 1 29.4227 -14.4663 26.532 O2L 230 0 0 0 -0.65 237 235 C2 SLES 1 28.6524 -15.4331 24.0173 CC32A 231 236 237 238 -0.11 238 236 H2A SLES 1 27.7748 -15.544 24.7136 HCA2 235 0 0 0 0.09 239 237 H2B SLES 1 28.9079 -14.3412 23.9241 HCA2 235 0 0 0 0.09 240 238 C1 SLES 1 28.2776 -16.0258 22.5771 CC32A 235 239 240 241 -0.01 241 239 H1B SLES 1 28.1102 -17.125 22.6514 HCA2 238 0 0 0 0.09 242 240 H1A SLES 1 29.1105 -15.8369 21.8604 HCA2 238 0 0 0 0.09 243 241 O1 SLES 1 27.0721 -15.5509 21.8706 OC30A 238 242 0 0 -0.34 244 242 C2 SLES 1 26.5118 -14.2992 22.32 CC32A 241 243 244 245 -0.01 245 243 H2A SLES 1 26.2582 -14.5308 23.373 HCA2 242 0 0 0 0.09 246 244 H2B SLES 1 27.3951 -13.6218 22.3043 HCA2 242 0 0 0 0.09 247 245 C1 SLES 1 25.2983 -13.5942 21.6359 CC32A 242 246 247 248 -0.01 248 246 H1B SLES 1 24.3516 -13.9318 22.1113 HCA2 245 0 0 0 0.09 249 247 H1A SLES 1 25.3904 -12.4975 21.7676 HCA2 245 0 0 0 0.09 250 248 O1 SLES 1 24.9527 -13.7787 20.2255 OC30A 245 249 0 0 -0.34 251 249 C1 SLES 1 24.2965 -12.6225 19.588 CTL2 248 250 251 252 -0.18 252 250 H11 SLES 1 24.0346 -11.9118 20.3928 HAL2 249 0 0 0 0.09 253 251 H12 SLES 1 25.1331 -12.1971 18.9962 HAL2 249 0 0 0 0.09 254 252 C2 SLES 1 23.0425 -12.8518 18.6546 CTL2 249 253 254 255 -0.18 255 253 H21 SLES 1 22.7921 -13.9362 18.6404 HAL2 252 0 0 0 0.09 256 254 H22 SLES 1 23.3035 -12.5471 17.6175 HAL2 252 0 0 0 0.09 257 255 C3 SLES 1 21.7553 -12.023 19.1389 CTL2 252 256 257 258 -0.18 258 256 H31 SLES 1 21.0445 -12.7186 19.638 HAL2 255 0 0 0 0.09 259 257 H32 SLES 1 22.0719 -11.2673 19.8851 HAL2 255 0 0 0 0.09 260 258 C4 SLES 1 21.007 -11.2894 17.9497 CTL2 255 259 260 261 -0.18 261 259 H41 SLES 1 20.102 -11.8728 17.68 HAL2 258 0 0 0 0.09 262 260 H42 SLES 1 21.6737 -11.2616 17.0609 HAL2 258 0 0 0 0.09 263 261 C5 SLES 1 20.5763 -9.79906 18.3212 CTL2 258 262 263 264 -0.18 264 262 H51 SLES 1 20.5909 -9.68191 19.4273 HAL2 261 0 0 0 0.09 265 263 H52 SLES 1 21.3197 -9.08905 17.8921 HAL2 261 0 0 0 0.09 266 264 C6 SLES 1 19.1424 -9.42358 17.7879 CTL2 261 265 266 267 -0.18 267 265 H61 SLES 1 18.3782 -9.96227 18.3918 HAL2 264 0 0 0 0.09 268 266 H62 SLES 1 18.9799 -8.32909 17.9261 HAL2 264 0 0 0 0.09 269 267 C7 SLES 1 18.9446 -9.78033 16.2806 CTL2 264 268 269 270 -0.18 270 268 H71 SLES 1 18.7036 -10.8629 16.1927 HAL2 267 0 0 0 0.09 271 269 H72 SLES 1 19.8964 -9.59481 15.7347 HAL2 267 0 0 0 0.09 272 270 C8 SLES 1 17.8129 -8.95735 15.6162 CTL2 267 271 272 273 -0.18 273 271 H81 SLES 1 16.921 -8.95907 16.284 HAL2 270 0 0 0 0.09 274 272 H82 SLES 1 18.1515 -7.90296 15.497 HAL2 270 0 0 0 0.09 275 273 C9 SLES 1 17.4083 -9.51894 14.2301 CTL2 270 274 275 276 -0.18 276 274 H91 SLES 1 17.098 -10.5823 14.3456 HAL2 273 0 0 0 0.09 277 275 H92 SLES 1 18.2931 -9.49085 13.5549 HAL2 273 0 0 0 0.09 278 276 C10 SLES 1 16.2515 -8.72404 13.5794 CTL2 273 277 278 279 -0.18 279 277 H10 SLES 1 15.3588 -8.77159 14.2438 HAL2 276 0 0 0 0.09 280 278 H10 SLES 1 16.5527 -7.65624 13.4838 HAL2 276 0 0 0 0.09 281 279 C11 SLES 1 15.8697 -9.27028 12.178 CTL2 276 280 281 282 -0.18 282 280 H11 SLES 1 15.5627 -10.3363 12.28 HAL2 279 0 0 0 0.09 283 281 H11 SLES 1 16.77 -9.23746 11.5228 HAL2 279 0 0 0 0.09 284 282 C12 SLES 1 14.7231 -8.48356 11.4917 CTL3 279 283 284 285 -0.27 285 283 H12 SLES 1 13.8652 -9.15854 11.2781 HAL3 282 0 0 0 0.09 286 284 H12 SLES 1 15.0759 -8.0443 10.5326 HAL3 282 0 0 0 0.09 287 285 H12 SLES 1 14.3706 -7.65996 12.1501 HAL3 282 0 0 0 0.09 288 286 NA SLES 1 0.219584 -39.4918 19.8098 NA 0 0 0 0 1 289 287 S SLES 1 -1.53923 -36.919 21.7171 SL 288 289 290 291 1.33 290 288 OS1 SLES 1 -0.73187 -36.6426 20.2751 OSL 287 292 0 0 -0.28 291 289 OS2 SLES 1 -2.53461 -37.9338 21.4397 O2L 287 0 0 0 -0.65 292 290 OS3 SLES 1 -0.550768 -37.4381 22.6391 O2L 287 0 0 0 -0.65 293 291 OS4 SLES 1 -2.17668 -35.7424 22.286 O2L 287 0 0 0 -0.65 294 292 C2 SLES 1 -1.01378 -35.2652 19.7815 CC32A 288 293 294 295 -0.11 295 293 H2A SLES 1 -2.12265 -35.0971 19.6851 HCA2 292 0 0 0 0.09 296 294 H2B SLES 1 -0.596626 -34.528 20.5223 HCA2 292 0 0 0 0.09 297 295 C1 SLES 1 -0.310107 -35.0582 18.3575 CC32A 292 296 297 298 -0.01 298 296 H1B SLES 1 -0.656154 -35.843 17.646 HCA2 295 0 0 0 0.09 299 297 H1A SLES 1 0.796874 -35.1349 18.4664 HCA2 295 0 0 0 0.09 300 298 O1 SLES 1 -0.51777 -33.8073 17.6026 OC30A 295 299 0 0 -0.34 301 299 C2 SLES 1 -1.01189 -32.6764 18.3507 CC32A 298 300 301 302 -0.01 302 300 H2A SLES 1 -1.98621 -33.0561 18.7159 HCA2 299 0 0 0 0.09 303 301 H2B SLES 1 -0.302342 -32.627 19.2071 HCA2 299 0 0 0 0.09 304 302 C1 SLES 1 -1.20345 -31.2501 17.7455 CC32A 299 303 304 305 -0.01 305 303 H1B SLES 1 -2.23442 -31.1492 17.3419 HCA2 302 0 0 0 0.09 306 304 H1A SLES 1 -1.05802 -30.4924 18.5414 HCA2 302 0 0 0 0.09 307 305 O1 SLES 1 -0.43495 -30.7522 16.6035 OC30A 302 306 0 0 -0.34 308 306 C1 SLES 1 -0.216071 -29.2942 16.5874 CTL2 305 307 308 309 -0.18 309 307 H11 SLES 1 -0.859992 -28.8592 17.3731 HAL2 306 0 0 0 0.09 310 308 H12 SLES 1 0.841242 -29.2297 16.9178 HAL2 306 0 0 0 0.09 311 309 C2 SLES 1 -0.406157 -28.4899 15.2408 CTL2 306 310 311 312 -0.18 312 310 H21 SLES 1 -0.740414 -29.1896 14.4424 HAL2 309 0 0 0 0.09 313 311 H22 SLES 1 0.573502 -28.0627 14.9336 HAL2 309 0 0 0 0.09 314 312 C3 SLES 1 -1.4782 -27.3025 15.3795 CTL2 309 313 314 315 -0.18 315 313 H31 SLES 1 -2.4287 -27.6152 14.8926 HAL2 312 0 0 0 0.09 316 314 H32 SLES 1 -1.68779 -27.1286 16.4538 HAL2 312 0 0 0 0.09 317 315 C4 SLES 1 -0.987643 -25.9449 14.7249 CTL2 312 316 317 318 -0.18 318 316 H41 SLES 1 -1.48817 -25.818 13.7423 HAL2 315 0 0 0 0.09 319 317 H42 SLES 1 0.107819 -26.0008 14.5464 HAL2 315 0 0 0 0.09 320 318 C5 SLES 1 -1.29973 -24.6746 15.638 CTL2 315 319 320 321 -0.18 321 319 H51 SLES 1 -2.07729 -24.9469 16.3854 HAL2 318 0 0 0 0.09 322 320 H52 SLES 1 -0.376264 -24.391 16.1927 HAL2 318 0 0 0 0.09 323 321 C6 SLES 1 -1.80173 -23.4321 14.81 CTL2 318 322 323 324 -0.18 324 322 H61 SLES 1 -2.83837 -23.6277 14.4548 HAL2 321 0 0 0 0.09 325 323 H62 SLES 1 -1.83067 -22.5397 15.478 HAL2 321 0 0 0 0.09 326 324 C7 SLES 1 -0.892806 -23.117 13.58 CTL2 321 325 326 327 -0.18 327 325 H71 SLES 1 -1.16669 -23.7967 12.743 HAL2 324 0 0 0 0.09 328 326 H72 SLES 1 0.168034 -23.3158 13.851 HAL2 324 0 0 0 0.09 329 327 C8 SLES 1 -1.02489 -21.6499 13.1006 CTL2 324 328 329 330 -0.18 330 328 H81 SLES 1 -2.10461 -21.3804 13.0462 HAL2 327 0 0 0 0.09 331 329 H82 SLES 1 -0.539742 -20.9787 13.8454 HAL2 327 0 0 0 0.09 332 330 C9 SLES 1 -0.375283 -21.42 11.713 CTL2 327 331 332 333 -0.18 333 331 H91 SLES 1 -0.840438 -22.1125 10.9751 HAL2 330 0 0 0 0.09 334 332 H92 SLES 1 0.709429 -21.6629 11.7755 HAL2 330 0 0 0 0.09 335 333 C10 SLES 1 -0.538696 -19.9655 11.212 CTL2 330 334 335 336 -0.18 336 334 H10 SLES 1 -1.62408 -19.7299 11.1271 HAL2 333 0 0 0 0.09 337 335 H10 SLES 1 -0.0934228 -19.271 11.96 HAL2 333 0 0 0 0.09 338 336 C11 SLES 1 0.13965 -19.7312 9.83616 CTL2 333 337 338 339 -0.18 339 337 H11 SLES 1 -0.313838 -20.4232 9.09011 HAL2 336 0 0 0 0.09 340 338 H11 SLES 1 1.22091 -19.9852 9.92146 HAL2 336 0 0 0 0.09 341 339 C12 SLES 1 0.0076712 -18.2771 9.31383 CTL3 336 340 341 342 -0.27 342 340 H12 SLES 1 -0.517453 -18.2648 8.3333 HAL3 339 0 0 0 0.09 343 341 H12 SLES 1 1.01358 -17.8207 9.18291 HAL3 339 0 0 0 0.09 344 342 H12 SLES 1 -0.571268 -17.6583 10.0336 HAL3 339 0 0 0 0.09 345 343 NA SLES 1 -34.8873 -21.0097 17.1332 NA 0 0 0 0 1 346 344 S SLES 1 -35.5025 -17.4687 16.4752 SL 345 346 347 348 1.33 347 345 OS1 SLES 1 -34.0284 -18.2318 16.2471 OSL 344 349 0 0 -0.28 348 346 OS2 SLES 1 -36.4616 -18.1799 15.6556 O2L 344 0 0 0 -0.65 349 347 OS3 SLES 1 -35.8308 -17.637 17.8754 O2L 344 0 0 0 -0.65 350 348 OS4 SLES 1 -35.5091 -16.0557 16.132 O2L 344 0 0 0 -0.65 351 349 C2 SLES 1 -33.0798 -17.3227 15.5442 CC32A 345 350 351 352 -0.11 352 350 H2A SLES 1 -33.5227 -16.9588 14.5754 HCA2 349 0 0 0 0.09 353 351 H2B SLES 1 -32.8764 -16.4367 16.2074 HCA2 349 0 0 0 0.09 354 352 C1 SLES 1 -31.713 -18.1055 15.2529 CC32A 349 353 354 355 -0.01 355 353 H1B SLES 1 -31.9234 -19.0319 14.6703 HCA2 352 0 0 0 0.09 356 354 H1A SLES 1 -31.2255 -18.389 16.2147 HCA2 352 0 0 0 0.09 357 355 O1 SLES 1 -30.6389 -17.458 14.4751 OC30A 352 356 0 0 -0.34 358 356 C2 SLES 1 -30.7036 -16.0212 14.3573 CC32A 355 357 358 359 -0.01 359 357 H2A SLES 1 -31.6731 -15.8809 13.8402 HCA2 356 0 0 0 0.09 360 358 H2B SLES 1 -30.8123 -15.6984 15.4171 HCA2 356 0 0 0 0.09 361 359 C1 SLES 1 -29.6099 -15.1561 13.6553 CC32A 356 360 361 362 -0.01 362 360 H1B SLES 1 -29.863 -15.0319 12.5798 HCA2 359 0 0 0 0.09 363 361 H1A SLES 1 -29.575 -14.1549 14.1297 HCA2 359 0 0 0 0.09 364 362 O1 SLES 1 -28.2105 -15.5695 13.5396 OC30A 359 363 0 0 -0.34 365 363 C1 SLES 1 -27.2348 -14.4646 13.5046 CTL2 362 364 365 366 -0.18 366 364 H11 SLES 1 -27.8079 -13.5274 13.3845 HAL2 363 0 0 0 0.09 367 365 H12 SLES 1 -26.827 -14.5024 14.5359 HAL2 363 0 0 0 0.09 368 366 C2 SLES 1 -26.051 -14.4997 12.4589 CTL2 363 367 368 369 -0.18 369 367 H21 SLES 1 -26.1527 -15.4079 11.8235 HAL2 366 0 0 0 0.09 370 368 H22 SLES 1 -25.0863 -14.5719 13.0074 HAL2 366 0 0 0 0.09 371 369 C3 SLES 1 -26.0246 -13.2005 11.5157 CTL2 366 370 371 372 -0.18 372 370 H31 SLES 1 -26.4239 -13.4734 10.5135 HAL2 369 0 0 0 0.09 373 371 H32 SLES 1 -26.6902 -12.4268 11.9476 HAL2 369 0 0 0 0.09 374 372 C4 SLES 1 -24.5721 -12.5904 11.3416 CTL2 369 373 374 375 -0.18 375 373 H41 SLES 1 -24.1711 -12.8931 10.3518 HAL2 372 0 0 0 0.09 376 374 H42 SLES 1 -23.9039 -13.0097 12.1244 HAL2 372 0 0 0 0.09 377 375 C5 SLES 1 -24.5577 -10.9987 11.4464 CTL2 372 376 377 378 -0.18 378 376 H51 SLES 1 -25.5909 -10.6154 11.2944 HAL2 375 0 0 0 0.09 379 377 H52 SLES 1 -24.2312 -10.7055 12.4703 HAL2 375 0 0 0 0.09 380 378 C6 SLES 1 -23.6032 -10.3227 10.3912 CTL2 375 379 380 381 -0.18 381 379 H61 SLES 1 -24.061 -10.4087 9.38028 HAL2 378 0 0 0 0.09 382 380 H62 SLES 1 -23.5063 -9.23843 10.6329 HAL2 378 0 0 0 0.09 383 381 C7 SLES 1 -22.1806 -10.9659 10.3624 CTL2 378 382 383 384 -0.18 384 382 H71 SLES 1 -22.2146 -11.8943 9.75023 HAL2 381 0 0 0 0.09 385 383 H72 SLES 1 -21.8876 -11.248 11.3982 HAL2 381 0 0 0 0.09 386 384 C8 SLES 1 -21.1076 -10.0153 9.77552 CTL2 381 385 386 387 -0.18 387 385 H81 SLES 1 -21.5013 -9.55458 8.84058 HAL2 384 0 0 0 0.09 388 386 H82 SLES 1 -20.9082 -9.19726 10.5047 HAL2 384 0 0 0 0.09 389 387 C9 SLES 1 -19.7788 -10.7463 9.45884 CTL2 384 388 389 390 -0.18 390 388 H91 SLES 1 -19.9839 -11.5827 8.75261 HAL2 387 0 0 0 0.09 391 389 H92 SLES 1 -19.3717 -11.1825 10.3988 HAL2 387 0 0 0 0.09 392 390 C10 SLES 1 -18.7169 -9.80944 8.83599 CTL2 387 391 392 393 -0.18 393 391 H10 SLES 1 -19.1149 -9.39101 7.88348 HAL2 390 0 0 0 0.09 394 392 H10 SLES 1 -18.5275 -8.96095 9.53186 HAL2 390 0 0 0 0.09 395 393 C11 SLES 1 -17.3772 -10.5378 8.5486 CTL2 390 394 395 396 -0.18 396 394 H11 SLES 1 -17.5707 -11.3812 7.84692 HAL2 393 0 0 0 0.09 397 395 H11 SLES 1 -16.9923 -10.9698 9.50057 HAL2 393 0 0 0 0.09 398 396 C12 SLES 1 -16.2855 -9.62083 7.93865 CTL3 393 397 398 399 -0.27 399 397 H12 SLES 1 -15.9658 -10.0081 6.94612 HAL3 396 0 0 0 0.09 400 398 H12 SLES 1 -15.3969 -9.58084 8.60655 HAL3 396 0 0 0 0.09 401 399 H12 SLES 1 -16.6765 -8.58839 7.80693 HAL3 396 0 0 0 0.09 402 400 NA SLES 1 -36.2046 20.8507 14.372 NA 0 0 0 0 1 403 401 S SLES 1 -35.0513 22.0228 11.1091 SL 402 403 404 405 1.33 404 402 OS1 SLES 1 -34.2586 20.8747 12.0369 OSL 401 406 0 0 -0.28 405 403 OS2 SLES 1 -36.3865 21.5111 10.8791 O2L 401 0 0 0 -0.65 406 404 OS3 SLES 1 -35.1162 23.2209 11.9197 O2L 401 0 0 0 -0.65 407 405 OS4 SLES 1 -34.4088 22.3193 9.83875 O2L 401 0 0 0 -0.65 408 406 C2 SLES 1 -33.152 20.2541 11.2556 CC32A 402 407 408 409 -0.11 409 407 H2A SLES 1 -33.5399 19.8243 10.2903 HCA2 406 0 0 0 0.09 410 408 H2B SLES 1 -32.3911 21.0491 11.0207 HCA2 406 0 0 0 0.09 411 409 C1 SLES 1 -32.4722 19.0955 12.1282 CC32A 406 410 411 412 -0.01 412 410 H1B SLES 1 -33.2425 18.3519 12.4369 HCA2 409 0 0 0 0.09 413 411 H1A SLES 1 -32.0075 19.5323 13.0429 HCA2 409 0 0 0 0.09 414 412 O1 SLES 1 -31.4098 18.2539 11.5443 OC30A 409 413 0 0 -0.34 415 413 C2 SLES 1 -30.7562 18.766 10.364 CC32A 412 414 415 416 -0.01 416 414 H2A SLES 1 -31.6023 18.8427 9.65322 HCA2 413 0 0 0 0.09 417 415 H2B SLES 1 -30.4593 19.7912 10.6802 HCA2 413 0 0 0 0.09 418 416 C1 SLES 1 -29.5508 18.0635 9.66351 CC32A 413 417 418 419 -0.01 419 417 H1B SLES 1 -29.925 17.3671 8.88179 HCA2 416 0 0 0 0.09 420 418 H1A SLES 1 -28.9114 18.8293 9.18032 HCA2 416 0 0 0 0.09 421 419 O1 SLES 1 -28.6184 17.1791 10.3646 OC30A 416 420 0 0 -0.34 422 420 C1 SLES 1 -27.2487 17.1589 9.81914 CTL2 419 421 422 423 -0.18 423 421 H11 SLES 1 -27.2744 17.6957 8.85358 HAL2 420 0 0 0 0.09 424 422 H12 SLES 1 -26.7107 17.7853 10.5603 HAL2 420 0 0 0 0.09 425 423 C2 SLES 1 -26.4992 15.7797 9.63911 CTL2 420 424 425 426 -0.18 426 424 H21 SLES 1 -27.1808 14.9526 9.93934 HAL2 423 0 0 0 0.09 427 425 H22 SLES 1 -25.6159 15.7576 10.3142 HAL2 423 0 0 0 0.09 428 426 C3 SLES 1 -26.0135 15.5362 8.12808 CTL2 423 427 428 429 -0.18 429 427 H31 SLES 1 -26.6967 14.8043 7.64247 HAL2 426 0 0 0 0.09 430 428 H32 SLES 1 -26.0835 16.4899 7.56792 HAL2 426 0 0 0 0.09 431 429 C4 SLES 1 -24.5275 14.9927 8.03466 CTL2 426 430 431 432 -0.18 432 430 H41 SLES 1 -24.5558 13.9008 7.83692 HAL2 429 0 0 0 0.09 433 431 H42 SLES 1 -24.0191 15.1509 9.01009 HAL2 429 0 0 0 0.09 434 432 C5 SLES 1 -23.6822 15.7096 6.88739 CTL2 429 433 434 435 -0.18 435 433 H51 SLES 1 -24.3807 16.2041 6.17682 HAL2 432 0 0 0 0.09 436 434 H52 SLES 1 -23.0448 16.4996 7.34636 HAL2 432 0 0 0 0.09 437 435 C6 SLES 1 -22.7635 14.7111 6.08708 CTL2 432 436 437 438 -0.18 438 436 H61 SLES 1 -23.4021 14.0735 5.43539 HAL2 435 0 0 0 0.09 439 437 H62 SLES 1 -22.0791 15.2966 5.42955 HAL2 435 0 0 0 0.09 440 438 C7 SLES 1 -21.9107 13.7935 7.01927 CTL2 435 439 440 441 -0.18 441 439 H71 SLES 1 -22.5412 12.9464 7.36982 HAL2 438 0 0 0 0.09 442 440 H72 SLES 1 -21.5921 14.3768 7.91171 HAL2 438 0 0 0 0.09 443 441 C8 SLES 1 -20.6546 13.2266 6.31186 CTL2 438 442 443 444 -0.18 444 442 H81 SLES 1 -20.9451 12.8407 5.30782 HAL2 441 0 0 0 0.09 445 443 H82 SLES 1 -19.9178 14.0488 6.16454 HAL2 441 0 0 0 0.09 446 444 C9 SLES 1 -19.9855 12.0856 7.11848 CTL2 441 445 446 447 -0.18 447 445 H91 SLES 1 -20.7315 11.2769 7.29086 HAL2 444 0 0 0 0.09 448 446 H92 SLES 1 -19.6704 12.4794 8.11103 HAL2 444 0 0 0 0.09 449 447 C10 SLES 1 -18.7532 11.4894 6.39775 CTL2 444 448 449 450 -0.18 450 448 H10 SLES 1 -19.0725 11.0744 5.4146 HAL2 447 0 0 0 0.09 451 449 H10 SLES 1 -18.0162 12.3017 6.20525 HAL2 447 0 0 0 0.09 452 450 C11 SLES 1 -18.0674 10.368 7.2224 CTL2 447 451 452 453 -0.18 453 451 H11 SLES 1 -18.8065 9.55495 7.4064 HAL2 450 0 0 0 0.09 454 452 H11 SLES 1 -17.7662 10.7831 8.21128 HAL2 450 0 0 0 0.09 455 453 C12 SLES 1 -16.8178 9.76087 6.53362 CTL3 450 454 455 456 -0.27 456 454 H12 SLES 1 -16.9574 8.66913 6.3725 HAL3 453 0 0 0 0.09 457 455 H12 SLES 1 -15.9155 9.91326 7.1661 HAL3 453 0 0 0 0.09 458 456 H12 SLES 1 -16.6454 10.2453 5.54785 HAL3 453 0 0 0 0.09 459 457 NA SLES 1 0.8224 43.1403 9.50385 NA 0 0 0 0 1 460 458 S SLES 1 -0.883646 42.376 6.36447 SL 459 460 461 462 1.33 461 459 OS1 SLES 1 -0.118056 41.2383 7.32719 OSL 458 463 0 0 -0.28 462 460 OS2 SLES 1 -1.88559 43.0081 7.19757 O2L 458 0 0 0 -0.65 463 461 OS3 SLES 1 0.131235 43.3412 5.99702 O2L 458 0 0 0 -0.65 464 462 OS4 SLES 1 -1.50569 41.8323 5.16783 O2L 458 0 0 0 -0.65 465 463 C2 SLES 1 -0.415238 39.863 6.83661 CC32A 459 464 465 466 -0.11 466 464 H2A SLES 1 -1.52658 39.6925 6.78169 HCA2 463 0 0 0 0.09 467 465 H2B SLES 1 0.0222038 39.7491 5.80612 HCA2 463 0 0 0 0.09 468 466 C1 SLES 1 0.247277 38.7924 7.82694 CC32A 463 467 468 469 -0.01 469 467 H1B SLES 1 -0.118209 38.9604 8.86617 HCA2 466 0 0 0 0.09 470 468 H1A SLES 1 1.35699 38.8998 7.81461 HCA2 466 0 0 0 0.09 471 469 O1 SLES 1 0.0169625 37.3494 7.62047 OC30A 466 470 0 0 -0.34 472 470 C2 SLES 1 -0.456655 36.9515 6.31666 CC32A 469 471 472 473 -0.01 473 471 H2A SLES 1 -1.41979 37.4946 6.25128 HCA2 470 0 0 0 0.09 474 472 H2B SLES 1 0.277017 37.4391 5.63599 HCA2 470 0 0 0 0.09 475 473 C1 SLES 1 -0.666757 35.4663 5.88379 CC32A 470 474 475 476 -0.01 476 474 H1B SLES 1 -1.70893 35.1531 6.11138 HCA2 473 0 0 0 0.09 477 475 H1A SLES 1 -0.499374 35.3763 4.79178 HCA2 473 0 0 0 0.09 478 476 O1 SLES 1 0.0683415 34.3461 6.47333 OC30A 473 477 0 0 -0.34 479 477 C1 SLES 1 0.2853 33.1995 5.57207 CTL2 476 478 479 480 -0.18 480 478 H11 SLES 1 -0.336328 33.3685 4.67419 HAL2 477 0 0 0 0.09 481 479 H12 SLES 1 1.35156 33.3377 5.29774 HAL2 477 0 0 0 0.09 482 480 C2 SLES 1 0.0560771 31.7305 6.10672 CTL2 477 481 482 483 -0.18 483 481 H21 SLES 1 -0.300189 31.7775 7.16013 HAL2 480 0 0 0 0.09 484 482 H22 SLES 1 1.02616 31.187 6.09726 HAL2 480 0 0 0 0.09 485 483 C3 SLES 1 -1.01268 30.9158 5.22784 CTL2 480 484 485 486 -0.18 486 484 H31 SLES 1 -1.9764 30.8698 5.78229 HAL2 483 0 0 0 0.09 487 485 H32 SLES 1 -1.19167 31.4611 4.2798 HAL2 483 0 0 0 0.09 488 486 C4 SLES 1 -0.542299 29.4401 4.89142 CTL2 483 487 488 489 -0.18 489 487 H41 SLES 1 -1.07081 28.7321 5.56347 HAL2 486 0 0 0 0.09 490 488 H42 SLES 1 0.54767 29.3505 5.08885 HAL2 486 0 0 0 0.09 491 489 C5 SLES 1 -0.829373 29.0343 3.3756 CTL2 486 490 491 492 -0.18 492 490 H51 SLES 1 -1.58502 29.731 2.95007 HAL2 489 0 0 0 0.09 493 491 H52 SLES 1 0.109291 29.1461 2.78623 HAL2 489 0 0 0 0.09 494 492 C6 SLES 1 -1.35599 27.5573 3.22481 CTL2 489 493 494 495 -0.18 495 493 H61 SLES 1 -2.40217 27.5049 3.60142 HAL2 492 0 0 0 0.09 496 494 H62 SLES 1 -1.36667 27.2854 2.14343 HAL2 492 0 0 0 0.09 497 495 C7 SLES 1 -0.482857 26.5211 4.0008 CTL2 492 496 497 498 -0.18 498 496 H71 SLES 1 -0.779901 26.5271 5.07295 HAL2 495 0 0 0 0.09 499 497 H72 SLES 1 0.585475 26.8263 3.93862 HAL2 495 0 0 0 0.09 500 498 C8 SLES 1 -0.629961 25.0824 3.44593 CTL2 495 499 500 501 -0.18 501 499 H81 SLES 1 -1.71104 24.859 3.29506 HAL2 498 0 0 0 0.09 502 500 H82 SLES 1 -0.124369 25.0209 2.45536 HAL2 498 0 0 0 0.09 503 501 C9 SLES 1 -0.020463 24.0179 4.39239 CTL2 498 502 503 504 -0.18 504 502 H91 SLES 1 -0.505851 24.0998 5.39141 HAL2 501 0 0 0 0.09 505 503 H92 SLES 1 1.06582 24.2256 4.52034 HAL2 501 0 0 0 0.09 506 504 C10 SLES 1 -0.199487 22.5759 3.86154 CTL2 501 505 506 507 -0.18 507 505 H10 SLES 1 -1.28707 22.3597 3.75559 HAL2 504 0 0 0 0.09 508 506 H10 SLES 1 0.266314 22.4992 2.85299 HAL2 504 0 0 0 0.09 509 507 C11 SLES 1 0.439068 21.5149 4.79667 CTL2 504 508 509 510 -0.18 510 508 H11 SLES 1 -0.0348915 21.591 5.802 HAL2 507 0 0 0 0.09 511 509 H11 SLES 1 1.52256 21.7456 4.91384 HAL2 507 0 0 0 0.09 512 510 C12 SLES 1 0.290858 20.0591 4.28333 CTL3 507 511 512 513 -0.27 513 511 H12 SLES 1 -0.262067 19.442 5.02547 HAL3 510 0 0 0 0.09 514 512 H12 SLES 1 1.29219 19.6034 4.11913 HAL3 510 0 0 0 0.09 515 513 H12 SLES 1 -0.267871 20.0426 3.32225 HAL3 510 0 0 0 0.09 516 514 NA SLES 1 38.1359 22.1641 2.54621 NA 0 0 0 0 1 517 515 S SLES 1 35.2067 24.3349 2.30529 SL 516 517 518 519 1.33 518 516 OS1 SLES 1 35.1531 22.6616 2.23722 OSL 515 520 0 0 -0.28 519 517 OS2 SLES 1 35.8271 24.6725 3.56964 O2L 515 0 0 0 -0.65 520 518 OS3 SLES 1 36.0574 24.7554 1.21169 O2L 515 0 0 0 -0.65 521 519 OS4 SLES 1 33.9097 24.9841 2.20104 O2L 515 0 0 0 -0.65 522 520 C2 SLES 1 33.741 22.1881 2.28131 CC32A 516 521 522 523 -0.11 523 521 H2A SLES 1 33.2149 22.5921 3.19084 HCA2 520 0 0 0 0.09 524 522 H2B SLES 1 33.2114 22.5578 1.35986 HCA2 520 0 0 0 0.09 525 523 C1 SLES 1 33.7197 20.5867 2.31166 CC32A 520 524 525 526 -0.01 526 524 H1B SLES 1 34.3186 20.2159 3.17512 HCA2 523 0 0 0 0.09 527 525 H1A SLES 1 34.1594 20.1834 1.36979 HCA2 523 0 0 0 0.09 528 526 O1 SLES 1 32.4408 19.8648 2.45705 OC30A 523 527 0 0 -0.34 529 527 C2 SLES 1 31.2412 20.6114 2.16364 CC32A 526 528 529 530 -0.01 530 528 H2A SLES 1 31.2946 21.4268 2.91135 HCA2 527 0 0 0 0.09 531 529 H2B SLES 1 31.4613 21.0327 1.15699 HCA2 527 0 0 0 0.09 532 530 C1 SLES 1 29.808 19.9923 2.17098 CC32A 527 531 532 533 -0.01 533 531 H1B SLES 1 29.3587 20.0984 3.18236 HCA2 530 0 0 0 0.09 534 532 H1A SLES 1 29.1722 20.5328 1.44146 HCA2 530 0 0 0 0.09 535 533 O1 SLES 1 29.5445 18.5735 1.92498 OC30A 530 534 0 0 -0.34 536 534 C1 SLES 1 28.2395 18.2802 1.30471 CTL2 533 535 536 537 -0.18 537 535 H11 SLES 1 27.6491 19.214 1.33057 HAL2 534 0 0 0 0.09 538 536 H12 SLES 1 28.5385 18.0773 0.255563 HAL2 534 0 0 0 0.09 539 537 C2 SLES 1 27.3644 17.0844 1.85294 CTL2 534 538 539 540 -0.18 540 538 H21 SLES 1 27.8835 16.6213 2.72178 HAL2 537 0 0 0 0.09 541 539 H22 SLES 1 27.2702 16.3117 1.05877 HAL2 537 0 0 0 0.09 542 540 C3 SLES 1 25.8977 17.5535 2.30794 CTL2 537 541 542 543 -0.18 543 541 H31 SLES 1 25.8618 17.6001 3.41917 HAL2 540 0 0 0 0.09 544 542 H32 SLES 1 25.7076 18.5736 1.91864 HAL2 540 0 0 0 0.09 545 543 C4 SLES 1 24.7511 16.5859 1.79674 CTL2 540 544 545 546 -0.18 546 544 H41 SLES 1 24.4281 15.9359 2.63654 HAL2 543 0 0 0 0.09 547 545 H42 SLES 1 25.1559 15.9324 0.99417 HAL2 543 0 0 0 0.09 548 546 C5 SLES 1 23.4861 17.377 1.23211 CTL2 543 547 548 549 -0.18 549 547 H51 SLES 1 23.5179 18.4251 1.60336 HAL2 546 0 0 0 0.09 550 548 H52 SLES 1 23.5433 17.406 0.119987 HAL2 546 0 0 0 0.09 551 549 C6 SLES 1 22.1157 16.727 1.65768 CTL2 546 550 551 552 -0.18 552 550 H61 SLES 1 21.9463 16.9147 2.74172 HAL2 549 0 0 0 0.09 553 551 H62 SLES 1 21.2905 17.2186 1.09135 HAL2 549 0 0 0 0.09 554 552 C7 SLES 1 22.0674 15.1888 1.39349 CTL2 549 553 554 555 -0.18 555 553 H71 SLES 1 22.5859 14.6614 2.22468 HAL2 552 0 0 0 0.09 556 554 H72 SLES 1 22.6137 14.9641 0.450392 HAL2 552 0 0 0 0.09 557 555 C8 SLES 1 20.6203 14.648 1.27966 CTL2 552 556 557 558 -0.18 558 556 H81 SLES 1 20.0097 15.0631 2.11406 HAL2 555 0 0 0 0.09 559 557 H82 SLES 1 20.1754 14.9981 0.320417 HAL2 555 0 0 0 0.09 560 558 C9 SLES 1 20.5611 13.1007 1.33036 CTL2 555 559 560 561 -0.18 561 559 H91 SLES 1 21.0328 12.75 2.27634 HAL2 558 0 0 0 0.09 562 560 H92 SLES 1 21.1485 12.687 0.479856 HAL2 558 0 0 0 0.09 563 561 C10 SLES 1 19.1146 12.5568 1.25649 CTL2 558 562 563 564 -0.18 564 562 H10 SLES 1 18.533 12.9519 2.12042 HAL2 561 0 0 0 0.09 565 563 H10 SLES 1 18.6349 12.9252 0.321518 HAL2 561 0 0 0 0.09 566 564 C11 SLES 1 19.0611 11.0061 1.27652 CTL2 561 565 566 567 -0.18 567 565 H11 SLES 1 19.5359 10.6429 2.21661 HAL2 564 0 0 0 0.09 568 566 H11 SLES 1 19.6588 10.6155 0.421467 HAL2 564 0 0 0 0.09 569 567 C12 SLES 1 17.6246 10.4291 1.18694 CTL3 564 568 569 570 -0.27 570 568 H12 SLES 1 17.4018 9.80621 2.08123 HAL3 567 0 0 0 0.09 571 569 H12 SLES 1 17.5184 9.79585 0.278593 HAL3 567 0 0 0 0.09 572 570 H12 SLES 1 16.8793 11.2524 1.13403 HAL3 567 0 0 0 0.09 573 571 NA SLES 1 39.7082 -18.8357 -4.53388 NA 0 0 0 0 1 574 572 S SLES 1 39.4996 -16.5509 -1.69013 SL 573 574 575 576 1.33 575 573 OS1 SLES 1 38.2605 -16.8126 -2.78709 OSL 572 577 0 0 -0.28 576 574 OS2 SLES 1 39.8177 -17.8426 -1.11752 O2L 572 0 0 0 -0.65 577 575 OS3 SLES 1 40.6242 -16.064 -2.46142 O2L 572 0 0 0 -0.65 578 576 OS4 SLES 1 39.1788 -15.6058 -0.632654 O2L 572 0 0 0 -0.65 579 577 C2 SLES 1 37.0086 -16.1542 -2.31842 CC32A 573 578 579 580 -0.11 580 578 H2A SLES 1 36.739 -16.5049 -1.28327 HCA2 577 0 0 0 0.09 581 579 H2B SLES 1 37.1777 -15.042 -2.29381 HCA2 577 0 0 0 0.09 582 580 C1 SLES 1 35.8174 -16.4981 -3.33258 CC32A 577 581 582 583 -0.01 583 581 H1B SLES 1 35.7062 -17.6029 -3.42622 HCA2 580 0 0 0 0.09 584 582 H1A SLES 1 36.0409 -16.0729 -4.33878 HCA2 580 0 0 0 0.09 585 583 O1 SLES 1 34.4426 -16.047 -3.04187 OC30A 580 584 0 0 -0.34 586 584 C2 SLES 1 34.3027 -14.9847 -2.07521 CC32A 583 585 586 587 -0.01 587 585 H2A SLES 1 34.7421 -15.4454 -1.16882 HCA2 584 0 0 0 0.09 588 586 H2B SLES 1 35.0061 -14.2138 -2.46275 HCA2 584 0 0 0 0.09 589 587 C1 SLES 1 32.9405 -14.3152 -1.70996 CC32A 584 588 589 590 -0.01 590 588 H1B SLES 1 32.476 -14.8522 -0.85442 HCA2 587 0 0 0 0.09 591 589 H1A SLES 1 33.1182 -13.2619 -1.41381 HCA2 587 0 0 0 0.09 592 590 O1 SLES 1 31.7995 -14.2638 -2.62564 OC30A 587 591 0 0 -0.34 593 591 C1 SLES 1 30.9162 -13.0955 -2.45613 CTL2 590 592 593 594 -0.18 594 592 H11 SLES 1 31.2178 -12.592 -1.51983 HAL2 591 0 0 0 0.09 595 593 H12 SLES 1 31.2243 -12.464 -3.31491 HAL2 591 0 0 0 0.09 596 594 C2 SLES 1 29.3486 -13.292 -2.47121 CTL2 591 595 596 597 -0.18 597 595 H21 SLES 1 29.118 -14.3755 -2.57943 HAL2 594 0 0 0 0.09 598 596 H22 SLES 1 28.9264 -12.7623 -3.35316 HAL2 594 0 0 0 0.09 599 597 C3 SLES 1 28.6463 -12.7373 -1.13795 CTL2 594 598 599 600 -0.18 600 598 H31 SLES 1 28.3748 -13.5985 -0.487544 HAL2 597 0 0 0 0.09 601 599 H32 SLES 1 29.3702 -12.1075 -0.583437 HAL2 597 0 0 0 0.09 602 600 C4 SLES 1 27.3429 -11.8849 -1.43262 CTL2 597 601 602 603 -0.18 603 601 H41 SLES 1 26.4496 -12.5116 -1.2292 HAL2 600 0 0 0 0.09 604 602 H42 SLES 1 27.3261 -11.6036 -2.50763 HAL2 600 0 0 0 0.09 605 603 C5 SLES 1 27.263 -10.5592 -0.548863 CTL2 600 604 605 606 -0.18 606 604 H51 SLES 1 27.9546 -10.6578 0.316901 HAL2 603 0 0 0 0.09 607 605 H52 SLES 1 27.6035 -9.69362 -1.16187 HAL2 603 0 0 0 0.09 608 606 C6 SLES 1 25.8117 -10.2666 -0.0110433 CTL2 603 607 608 609 -0.18 609 607 H61 SLES 1 25.5656 -11.002 0.787615 HAL2 606 0 0 0 0.09 610 608 H62 SLES 1 25.7921 -9.24815 0.442534 HAL2 606 0 0 0 0.09 611 609 C7 SLES 1 24.7244 -10.3461 -1.12897 CTL2 606 610 611 612 -0.18 612 610 H71 SLES 1 24.4561 -11.4123 -1.299 HAL2 609 0 0 0 0.09 613 611 H72 SLES 1 25.1463 -9.94272 -2.07638 HAL2 609 0 0 0 0.09 614 612 C8 SLES 1 23.4413 -9.55539 -0.770852 CTL2 609 613 614 615 -0.18 615 613 H81 SLES 1 23.1455 -9.79611 0.276013 HAL2 612 0 0 0 0.09 616 614 H82 SLES 1 23.6594 -8.46442 -0.824631 HAL2 612 0 0 0 0.09 617 615 C9 SLES 1 22.2604 -9.88308 -1.71863 CTL2 612 616 617 618 -0.18 618 616 H91 SLES 1 22.0624 -10.9786 -1.68669 HAL2 615 0 0 0 0.09 619 617 H92 SLES 1 22.5468 -9.61612 -2.76086 HAL2 615 0 0 0 0.09 620 618 C10 SLES 1 20.9654 -9.12547 -1.3413 CTL2 615 619 620 621 -0.18 621 619 H10 SLES 1 20.6657 -9.41025 -0.306953 HAL2 618 0 0 0 0.09 622 620 H10 SLES 1 21.1685 -8.03063 -1.35146 HAL2 618 0 0 0 0.09 623 621 C11 SLES 1 19.7934 -9.43247 -2.3109 CTL2 618 622 623 624 -0.18 624 622 H11 SLES 1 19.5896 -10.5276 -2.29198 HAL2 621 0 0 0 0.09 625 623 H11 SLES 1 20.1043 -9.16287 -3.34608 HAL2 621 0 0 0 0.09 626 624 C12 SLES 1 18.4844 -8.67466 -1.9689 CTL3 621 625 626 627 -0.27 627 625 H12 SLES 1 17.6607 -9.39566 -1.77177 HAL3 624 0 0 0 0.09 628 626 H12 SLES 1 18.1856 -8.01787 -2.81546 HAL3 624 0 0 0 0.09 629 627 H12 SLES 1 18.6273 -8.04398 -1.06448 HAL3 624 0 0 0 0.09 630 628 NA SLES 1 7.9743 -42.3663 -9.67424 NA 0 0 0 0 1 631 629 S SLES 1 6.63316 -41.8709 -6.31174 SL 630 631 632 633 1.33 632 630 OS1 SLES 1 7.00635 -40.6304 -7.37432 OSL 629 634 0 0 -0.28 633 631 OS2 SLES 1 5.66513 -42.7099 -6.98737 O2L 629 0 0 0 -0.65 634 632 OS3 SLES 1 7.86267 -42.607 -6.10414 O2L 629 0 0 0 -0.65 635 633 OS4 SLES 1 6.09913 -41.4293 -5.03339 O2L 629 0 0 0 -0.65 636 634 C2 SLES 1 6.51734 -39.3283 -6.83979 CC32A 630 635 636 637 -0.11 637 635 H2A SLES 1 5.41485 -39.3789 -6.61817 HCA2 634 0 0 0 0.09 638 636 H2B SLES 1 7.0707 -39.1032 -5.88618 HCA2 634 0 0 0 0.09 639 637 C1 SLES 1 6.79995 -38.1746 -7.91445 CC32A 634 638 639 640 -0.01 640 638 H1B SLES 1 6.32576 -38.4386 -8.88769 HCA2 637 0 0 0 0.09 641 639 H1A SLES 1 7.89825 -38.0607 -8.06912 HCA2 637 0 0 0 0.09 642 640 O1 SLES 1 6.32028 -36.8004 -7.6706 OC30A 637 641 0 0 -0.34 643 641 C2 SLES 1 5.97486 -36.4694 -6.30908 CC32A 640 642 643 644 -0.01 644 642 H2A SLES 1 5.15945 -37.1898 -6.10191 HCA2 641 0 0 0 0.09 645 643 H2B SLES 1 6.8832 -36.7846 -5.74792 HCA2 641 0 0 0 0.09 646 644 C1 SLES 1 5.53982 -35.0439 -5.84427 CC32A 641 645 646 647 -0.01 647 645 H1B SLES 1 4.43421 -34.9485 -5.91182 HCA2 644 0 0 0 0.09 648 646 H1A SLES 1 5.84538 -34.8939 -4.78941 HCA2 644 0 0 0 0.09 649 647 O1 SLES 1 5.94208 -33.8167 -6.53339 OC30A 644 648 0 0 -0.34 650 648 C1 SLES 1 6.05733 -32.6265 -5.67077 CTL2 647 649 650 651 -0.18 651 649 H11 SLES 1 5.62133 -32.891 -4.69041 HAL2 648 0 0 0 0.09 652 650 H12 SLES 1 7.15836 -32.5445 -5.55999 HAL2 648 0 0 0 0.09 653 651 C2 SLES 1 5.46407 -31.2462 -6.15972 CTL2 648 652 653 654 -0.18 654 652 H21 SLES 1 4.97265 -31.3902 -7.14793 HAL2 651 0 0 0 0.09 655 653 H22 SLES 1 6.29718 -30.522 -6.29394 HAL2 651 0 0 0 0.09 656 654 C3 SLES 1 4.3964 -30.6353 -5.12755 CTL2 651 655 656 657 -0.18 657 655 H31 SLES 1 3.37168 -30.7949 -5.53099 HAL2 654 0 0 0 0.09 658 656 H32 SLES 1 4.47151 -31.1801 -4.16535 HAL2 654 0 0 0 0.09 659 657 C4 SLES 1 4.60826 -29.0874 -4.86021 CTL2 654 658 659 660 -0.18 660 658 H41 SLES 1 3.85614 -28.5156 -5.44284 HAL2 657 0 0 0 0.09 661 659 H42 SLES 1 5.61726 -28.79 -5.21858 HAL2 657 0 0 0 0.09 662 660 C5 SLES 1 4.47332 -28.7064 -3.31703 CTL2 657 661 662 663 -0.18 663 661 H51 SLES 1 3.94268 -29.527 -2.78547 HAL2 660 0 0 0 0.09 664 662 H52 SLES 1 5.49201 -28.6153 -2.87554 HAL2 660 0 0 0 0.09 665 663 C6 SLES 1 3.69161 -27.3589 -3.08366 CTL2 660 664 665 666 -0.18 666 664 H61 SLES 1 2.612 -27.5238 -3.29889 HAL2 663 0 0 0 0.09 667 665 H62 SLES 1 3.7869 -27.066 -2.01194 HAL2 663 0 0 0 0.09 668 666 C7 SLES 1 4.21677 -26.1917 -3.97813 CTL2 663 667 668 669 -0.18 669 667 H71 SLES 1 3.7718 -26.2843 -4.9936 HAL2 666 0 0 0 0.09 670 668 H72 SLES 1 5.32168 -26.2784 -4.078 HAL2 666 0 0 0 0.09 671 669 C8 SLES 1 3.87002 -24.796 -3.40231 CTL2 666 670 671 672 -0.18 672 670 H81 SLES 1 2.8005 -24.7863 -3.09018 HAL2 669 0 0 0 0.09 673 671 H82 SLES 1 4.49395 -24.61 -2.49858 HAL2 669 0 0 0 0.09 674 672 C9 SLES 1 4.10897 -23.6576 -4.42567 CTL2 669 673 674 675 -0.18 675 673 H91 SLES 1 3.50743 -23.8599 -5.34086 HAL2 672 0 0 0 0.09 676 674 H92 SLES 1 5.18378 -23.6503 -4.71587 HAL2 672 0 0 0 0.09 677 675 C10 SLES 1 3.72709 -22.2657 -3.86881 CTL2 672 676 677 678 -0.18 678 676 H10 SLES 1 2.64607 -22.2656 -3.60013 HAL2 675 0 0 0 0.09 679 677 H10 SLES 1 4.31209 -22.0721 -2.94127 HAL2 675 0 0 0 0.09 680 678 C11 SLES 1 3.99654 -21.1246 -4.88534 CTL2 675 679 680 681 -0.18 681 679 H11 SLES 1 3.40401 -21.3192 -5.80846 HAL2 678 0 0 0 0.09 682 680 H11 SLES 1 5.07485 -21.1402 -5.16454 HAL2 678 0 0 0 0.09 683 681 C12 SLES 1 3.63922 -19.7137 -4.35036 CTL3 678 682 683 684 -0.27 684 682 H12 SLES 1 2.87115 -19.2376 -4.99895 HAL3 681 0 0 0 0.09 685 683 H12 SLES 1 4.54292 -19.0653 -4.3366 HAL3 681 0 0 0 0.09 686 684 H12 SLES 1 3.23658 -19.7823 -3.31629 HAL3 681 0 0 0 0.09 687 685 NA SLES 1 -29.9519 -29.9267 -12.6237 NA 0 0 0 0 1 688 686 S SLES 1 -31.4179 -26.7246 -11.6502 SL 687 688 689 690 1.33 689 687 OS1 SLES 1 -29.7848 -27.0866 -11.5533 OSL 686 691 0 0 -0.28 690 688 OS2 SLES 1 -31.7957 -26.9101 -13.0359 O2L 686 0 0 0 -0.65 691 689 OS3 SLES 1 -32.0962 -27.6982 -10.8204 O2L 686 0 0 0 -0.65 692 690 OS4 SLES 1 -31.7637 -25.3798 -11.2183 O2L 686 0 0 0 -0.65 693 691 C2 SLES 1 -29.0033 -25.8617 -11.223 CC32A 687 692 693 694 -0.11 694 692 H2A SLES 1 -29.2124 -25.0443 -11.9681 HCA2 691 0 0 0 0.09 695 693 H2B SLES 1 -29.3087 -25.5083 -10.1992 HCA2 691 0 0 0 0.09 696 694 C1 SLES 1 -27.4403 -26.2123 -11.2302 CC32A 691 695 696 697 -0.01 697 695 H1B SLES 1 -27.1536 -26.6456 -12.2161 HCA2 694 0 0 0 0.09 698 696 H1A SLES 1 -27.2146 -26.9566 -10.4314 HCA2 694 0 0 0 0.09 699 697 O1 SLES 1 -26.4402 -25.1458 -11.0299 OC30A 694 698 0 0 -0.34 700 698 C2 SLES 1 -26.916 -23.9169 -10.4418 CC32A 697 699 700 701 -0.01 701 699 H2A SLES 1 -27.6671 -23.5869 -11.1859 HCA2 698 0 0 0 0.09 702 700 H2B SLES 1 -27.4468 -24.2765 -9.53163 HCA2 698 0 0 0 0.09 703 701 C1 SLES 1 -25.9909 -22.7159 -10.069 CC32A 698 702 703 704 -0.01 704 702 H1B SLES 1 -25.9207 -22.0153 -10.9294 HCA2 701 0 0 0 0.09 705 703 H1A SLES 1 -26.4247 -22.1743 -9.20463 HCA2 701 0 0 0 0.09 706 704 O1 SLES 1 -24.5705 -22.8654 -9.74825 OC30A 701 705 0 0 -0.34 707 705 C1 SLES 1 -24.0354 -21.8651 -8.80636 CTL2 704 706 707 708 -0.18 708 706 H11 SLES 1 -24.8078 -21.0838 -8.68711 HAL2 705 0 0 0 0.09 709 707 H12 SLES 1 -23.9804 -22.4569 -7.86933 HAL2 705 0 0 0 0.09 710 708 C2 SLES 1 -22.6372 -21.1886 -9.09529 CTL2 705 709 710 711 -0.18 711 709 H21 SLES 1 -22.2423 -21.5673 -10.0646 HAL2 708 0 0 0 0.09 712 710 H22 SLES 1 -21.9217 -21.4819 -8.29609 HAL2 708 0 0 0 0.09 713 711 C3 SLES 1 -22.7299 -19.5867 -9.15719 CTL2 708 712 713 714 -0.18 714 712 H31 SLES 1 -22.688 -19.2632 -10.2211 HAL2 711 0 0 0 0.09 715 713 H32 SLES 1 -23.7059 -19.265 -8.74235 HAL2 711 0 0 0 0.09 716 714 C4 SLES 1 -21.5677 -18.8671 -8.35494 CTL2 711 715 716 717 -0.18 717 715 H41 SLES 1 -20.8035 -18.5067 -9.07481 HAL2 714 0 0 0 0.09 718 716 H42 SLES 1 -21.0811 -19.6028 -7.67887 HAL2 714 0 0 0 0.09 719 717 C5 SLES 1 -22.0913 -17.6343 -7.48837 CTL2 714 718 719 720 -0.18 720 718 H51 SLES 1 -23.0905 -17.3235 -7.86587 HAL2 717 0 0 0 0.09 721 719 H52 SLES 1 -22.2116 -17.9602 -6.42993 HAL2 717 0 0 0 0.09 722 720 C6 SLES 1 -21.1205 -16.3947 -7.53545 CTL2 717 721 722 723 -0.18 723 721 H61 SLES 1 -21.1875 -15.9193 -8.53976 HAL2 720 0 0 0 0.09 724 722 H62 SLES 1 -21.4525 -15.6459 -6.77874 HAL2 720 0 0 0 0.09 725 723 C7 SLES 1 -19.6338 -16.7789 -7.25194 CTL2 720 724 725 726 -0.18 726 724 H71 SLES 1 -19.1792 -17.1817 -8.18404 HAL2 723 0 0 0 0.09 727 725 H72 SLES 1 -19.6059 -17.5814 -6.48151 HAL2 723 0 0 0 0.09 728 726 C8 SLES 1 -18.7903 -15.5767 -6.7594 CTL2 723 727 728 729 -0.18 729 727 H81 SLES 1 -18.9966 -14.6961 -7.4101 HAL2 726 0 0 0 0.09 730 728 H82 SLES 1 -19.0984 -15.317 -5.72103 HAL2 726 0 0 0 0.09 731 729 C9 SLES 1 -17.2698 -15.8739 -6.77696 CTL2 726 730 731 732 -0.18 732 730 H91 SLES 1 -16.9681 -16.1622 -7.80952 HAL2 729 0 0 0 0.09 733 731 H92 SLES 1 -17.0609 -16.7364 -6.10469 HAL2 729 0 0 0 0.09 734 732 C10 SLES 1 -16.4206 -14.663 -6.32316 CTL2 729 733 734 735 -0.18 735 733 H10 SLES 1 -16.6118 -13.8069 -7.0097 HAL2 732 0 0 0 0.09 736 734 H10 SLES 1 -16.7369 -14.3602 -5.29932 HAL2 732 0 0 0 0.09 737 735 C11 SLES 1 -14.9003 -14.974 -6.31256 CTL2 732 736 737 738 -0.18 738 736 H11 SLES 1 -14.5875 -15.2697 -7.3401 HAL2 735 0 0 0 0.09 739 737 H11 SLES 1 -14.7164 -15.8419 -5.63882 HAL2 735 0 0 0 0.09 740 738 C12 SLES 1 -14.0222 -13.7842 -5.84582 CTL3 735 739 740 741 -0.27 741 739 H12 SLES 1 -13.3031 -13.4979 -6.6447 HAL3 738 0 0 0 0.09 742 740 H12 SLES 1 -13.4477 -14.0619 -4.93469 HAL3 738 0 0 0 0.09 743 741 H12 SLES 1 -14.6579 -12.9034 -5.60903 HAL3 738 0 0 0 0.09 744 742 NA SLES 1 -40.0515 10.811 -15.2015 NA 0 0 0 0 1 745 743 S SLES 1 -37.3206 12.357 -17.0731 SL 744 745 746 747 1.33 746 744 OS1 SLES 1 -37.1137 11.401 -15.7127 OSL 743 748 0 0 -0.28 747 745 OS2 SLES 1 -38.0313 11.5447 -18.0388 O2L 743 0 0 0 -0.65 748 746 OS3 SLES 1 -38.1499 13.4701 -16.6608 O2L 743 0 0 0 -0.65 749 747 OS4 SLES 1 -36.0836 12.8511 -17.6562 O2L 743 0 0 0 -0.65 750 748 C2 SLES 1 -35.6687 11.1002 -15.5081 CC32A 744 749 750 751 -0.11 751 749 H2A SLES 1 -35.2272 10.6273 -16.4293 HCA2 748 0 0 0 0.09 752 750 H2B SLES 1 -35.129 12.0654 -15.2997 HCA2 748 0 0 0 0.09 753 751 C1 SLES 1 -35.5052 10.1088 -14.2607 CC32A 748 752 753 754 -0.01 754 752 H1B SLES 1 -36.1109 9.18814 -14.4262 HCA2 751 0 0 0 0.09 755 753 H1A SLES 1 -35.8593 10.609 -13.3293 HCA2 751 0 0 0 0.09 756 754 O1 SLES 1 -34.1756 9.57524 -13.9068 OC30A 751 755 0 0 -0.34 757 755 C2 SLES 1 -33.0346 10.2775 -14.4432 CC32A 754 756 757 758 -0.01 758 756 H2A SLES 1 -33.1984 10.1737 -15.5337 HCA2 755 0 0 0 0.09 759 757 H2B SLES 1 -33.2411 11.3309 -14.1481 HCA2 755 0 0 0 0.09 760 758 C1 SLES 1 -31.5538 9.91834 -14.1033 CC32A 755 759 760 761 -0.01 761 759 H1B SLES 1 -31.167 9.18323 -14.8423 HCA2 758 0 0 0 0.09 762 760 H1A SLES 1 -30.9334 10.8353 -14.1565 HCA2 758 0 0 0 0.09 763 761 O1 SLES 1 -31.1521 9.26089 -12.8586 OC30A 758 762 0 0 -0.34 764 762 C1 SLES 1 -29.7966 9.59672 -12.3856 CTL2 761 763 764 765 -0.18 765 763 H11 SLES 1 -29.2944 10.1489 -13.2005 HAL2 762 0 0 0 0.09 766 764 H12 SLES 1 -30.0233 10.3056 -11.5626 HAL2 762 0 0 0 0.09 767 765 C2 SLES 1 -28.8462 8.45009 -11.8581 CTL2 762 766 767 768 -0.18 768 766 H21 SLES 1 -29.3644 7.47055 -11.9619 HAL2 765 0 0 0 0.09 769 767 H22 SLES 1 -28.6434 8.6173 -10.7776 HAL2 765 0 0 0 0.09 770 768 C3 SLES 1 -27.4521 8.3923 -12.6528 CTL2 765 769 770 771 -0.18 771 769 H31 SLES 1 -27.4762 7.5357 -13.3627 HAL2 768 0 0 0 0.09 772 770 H32 SLES 1 -27.3352 9.32155 -13.2453 HAL2 768 0 0 0 0.09 773 771 C4 SLES 1 -26.1991 8.23155 -11.6955 CTL2 768 772 773 774 -0.18 774 772 H41 SLES 1 -25.8615 7.17442 -11.7195 HAL2 771 0 0 0 0.09 775 773 H42 SLES 1 -26.503 8.47023 -10.6535 HAL2 771 0 0 0 0.09 776 774 C5 SLES 1 -24.9836 9.17766 -12.1104 CTL2 771 775 776 777 -0.18 777 775 H51 SLES 1 -25.1279 9.51475 -13.1606 HAL2 774 0 0 0 0.09 778 776 H52 SLES 1 -24.9875 10.0804 -11.4577 HAL2 774 0 0 0 0.09 779 777 C6 SLES 1 -23.5834 8.46575 -11.9916 CTL2 774 778 779 780 -0.18 780 778 H61 SLES 1 -23.486 7.71796 -12.8103 HAL2 777 0 0 0 0.09 781 779 H62 SLES 1 -22.7784 9.22593 -12.1236 HAL2 777 0 0 0 0.09 782 780 C7 SLES 1 -23.384 7.7475 -10.6195 CTL2 777 781 782 783 -0.18 783 781 H71 SLES 1 -23.894 6.75918 -10.6499 HAL2 780 0 0 0 0.09 784 782 H72 SLES 1 -23.8601 8.3552 -9.81798 HAL2 780 0 0 0 0.09 785 783 C8 SLES 1 -21.8903 7.5324 -10.27 CTL2 780 784 785 786 -0.18 786 784 H81 SLES 1 -21.362 7.12735 -11.1634 HAL2 783 0 0 0 0.09 787 785 H82 SLES 1 -21.4313 8.51459 -10.0147 HAL2 783 0 0 0 0.09 788 786 C9 SLES 1 -21.695 6.55794 -9.08149 CTL2 783 787 788 789 -0.18 789 787 H91 SLES 1 -22.1801 5.5856 -9.32568 HAL2 786 0 0 0 0.09 790 788 H92 SLES 1 -22.1996 6.97708 -8.18195 HAL2 786 0 0 0 0.09 791 789 C10 SLES 1 -20.2037 6.30912 -8.75357 CTL2 786 790 791 792 -0.18 792 790 H10 SLES 1 -19.7039 5.868 -9.64593 HAL2 789 0 0 0 0.09 793 791 H10 SLES 1 -19.7129 7.28354 -8.53089 HAL2 789 0 0 0 0.09 794 792 C11 SLES 1 -20.0123 5.35697 -7.54331 CTL2 789 793 794 795 -0.18 795 793 H11 SLES 1 -20.4989 4.38167 -7.77366 HAL2 792 0 0 0 0.09 796 794 H11 SLES 1 -20.529 5.79351 -6.65823 HAL2 792 0 0 0 0.09 797 795 C12 SLES 1 -18.5271 5.10051 -7.17869 CTL3 792 796 797 798 -0.27 798 796 H12 SLES 1 -18.2943 4.01493 -7.24687 HAL3 795 0 0 0 0.09 799 797 H12 SLES 1 -18.3191 5.44311 -6.14104 HAL3 795 0 0 0 0.09 800 798 H12 SLES 1 -17.857 5.65094 -7.87453 HAL3 795 0 0 0 0.09 801 799 NA SLES 1 -7.21407 38.9448 -19.5791 NA 0 0 0 0 1 802 800 S SLES 1 -7.75447 36.0852 -21.7885 SL 801 802 803 804 1.33 803 801 OS1 SLES 1 -7.20034 35.9716 -20.2113 OSL 800 805 0 0 -0.28 804 802 OS2 SLES 1 -9.03273 36.763 -21.7243 O2L 800 0 0 0 -0.65 805 803 OS3 SLES 1 -6.7953 36.9091 -22.494 O2L 800 0 0 0 -0.65 806 804 OS4 SLES 1 -7.90442 34.8084 -22.468 O2L 800 0 0 0 -0.65 807 805 C2 SLES 1 -7.16735 34.5465 -19.7772 CC32A 801 806 807 808 -0.11 808 806 H2A SLES 1 -8.17828 34.0685 -19.9065 HCA2 805 0 0 0 0.09 809 807 H2B SLES 1 -6.42016 33.9964 -20.4139 HCA2 805 0 0 0 0.09 810 808 C1 SLES 1 -6.72685 34.4712 -18.239 CC32A 805 809 810 811 -0.01 811 809 H1B SLES 1 -7.41522 35.0884 -17.6169 HCA2 808 0 0 0 0.09 812 810 H1A SLES 1 -5.68913 34.8618 -18.1218 HCA2 808 0 0 0 0.09 813 811 O1 SLES 1 -6.71154 33.1744 -17.5347 OC30A 808 812 0 0 -0.34 814 812 C2 SLES 1 -6.70508 31.9912 -18.3609 CC32A 811 813 814 815 -0.01 815 813 H2A SLES 1 -7.65612 32.1002 -18.9182 HCA2 812 0 0 0 0.09 816 814 H2B SLES 1 -5.85775 32.1885 -19.0555 HCA2 812 0 0 0 0.09 817 815 C1 SLES 1 -6.59517 30.5388 -17.7991 CC32A 812 816 817 818 -0.01 818 816 H1B SLES 1 -7.61239 30.1309 -17.6121 HCA2 815 0 0 0 0.09 819 817 H1A SLES 1 -6.08622 29.8956 -18.5446 HCA2 815 0 0 0 0.09 820 818 O1 SLES 1 -5.95543 30.2178 -16.5222 OC30A 815 819 0 0 -0.34 821 819 C1 SLES 1 -5.33617 28.8814 -16.4537 CTL2 818 820 821 822 -0.18 822 820 H11 SLES 1 -5.66193 28.3249 -17.3511 HAL2 819 0 0 0 0.09 823 821 H12 SLES 1 -4.26129 29.1344 -16.5627 HAL2 819 0 0 0 0.09 824 822 C2 SLES 1 -5.54798 27.9865 -15.169 CTL2 819 823 824 825 -0.18 825 823 H21 SLES 1 -6.21798 28.5209 -14.4589 HAL2 822 0 0 0 0.09 826 824 H22 SLES 1 -4.56699 27.8365 -14.6673 HAL2 822 0 0 0 0.09 827 825 C3 SLES 1 -6.1867 26.5545 -15.5153 CTL2 822 826 827 828 -0.18 828 826 H31 SLES 1 -7.26303 26.5611 -15.2329 HAL2 825 0 0 0 0.09 829 827 H32 SLES 1 -6.12327 26.3855 -16.6088 HAL2 825 0 0 0 0.09 830 828 C4 SLES 1 -5.46633 25.3572 -14.7672 CTL2 825 829 830 831 -0.18 831 829 H41 SLES 1 -6.09185 25.0431 -13.9057 HAL2 828 0 0 0 0.09 832 830 H42 SLES 1 -4.48971 25.7094 -14.3707 HAL2 828 0 0 0 0.09 833 831 C5 SLES 1 -5.21692 24.1003 -15.7173 CTL2 828 832 833 834 -0.18 834 832 H51 SLES 1 -5.87786 24.1818 -16.6083 HAL2 831 0 0 0 0.09 835 833 H52 SLES 1 -4.161 24.1175 -16.0718 HAL2 831 0 0 0 0.09 836 834 C6 SLES 1 -5.49442 22.7249 -15.0011 CTL2 831 835 836 837 -0.18 837 835 H61 SLES 1 -6.59227 22.6021 -14.8644 HAL2 834 0 0 0 0.09 838 836 H62 SLES 1 -5.1355 21.8968 -15.656 HAL2 834 0 0 0 0.09 839 837 C7 SLES 1 -4.79247 22.6139 -13.6107 CTL2 834 838 839 840 -0.18 840 838 H71 SLES 1 -5.40769 23.1442 -12.8504 HAL2 837 0 0 0 0.09 841 839 H72 SLES 1 -3.80125 23.1171 -13.6623 HAL2 837 0 0 0 0.09 842 840 C8 SLES 1 -4.59051 21.1458 -13.1597 CTL2 837 841 842 843 -0.18 843 841 H81 SLES 1 -5.53682 20.581 -13.3237 HAL2 840 0 0 0 0.09 844 842 H82 SLES 1 -3.79762 20.6783 -13.7869 HAL2 840 0 0 0 0.09 845 843 C9 SLES 1 -4.18703 21.0352 -11.668 CTL2 840 844 845 846 -0.18 846 844 H91 SLES 1 -4.96588 21.5291 -11.0436 HAL2 843 0 0 0 0.09 847 845 H92 SLES 1 -3.22684 21.5764 -11.5107 HAL2 843 0 0 0 0.09 848 846 C10 SLES 1 -4.02228 19.5692 -11.2021 CTL2 843 847 848 849 -0.18 849 847 H10 SLES 1 -4.98958 19.0337 -11.3376 HAL2 846 0 0 0 0.09 850 848 H10 SLES 1 -3.25953 19.0684 -11.8404 HAL2 846 0 0 0 0.09 851 849 C11 SLES 1 -3.58828 19.4631 -9.7161 CTL2 846 850 851 852 -0.18 852 850 H11 SLES 1 -4.35765 19.9593 -9.08136 HAL2 849 0 0 0 0.09 853 851 H11 SLES 1 -2.63004 20.0151 -9.58199 HAL2 849 0 0 0 0.09 854 852 C12 SLES 1 -3.39834 18.0052 -9.22307 CTL3 849 853 854 855 -0.27 855 853 H12 SLES 1 -4.07933 17.7941 -8.36922 HAL3 852 0 0 0 0.09 856 854 H12 SLES 1 -2.34984 17.8439 -8.88845 HAL3 852 0 0 0 0.09 857 855 H12 SLES 1 -3.62346 17.2873 -10.0416 HAL3 852 0 0 0 0.09 858 856 NA SLES 1 29.5652 20.0299 -26.015 NA 0 0 0 0 1 859 857 S SLES 1 26.4572 21.912 -25.6299 SL 858 859 860 861 1.33 860 858 OS1 SLES 1 26.733 20.3952 -24.9736 OSL 857 862 0 0 -0.28 861 859 OS2 SLES 1 27.4934 22.7779 -25.1064 O2L 857 0 0 0 -0.65 862 860 OS3 SLES 1 26.6146 21.766 -27.0618 O2L 857 0 0 0 -0.65 863 861 OS4 SLES 1 25.148 22.4693 -25.3304 O2L 857 0 0 0 -0.65 864 862 C2 SLES 1 25.6272 20.0255 -24.0457 CC32A 858 863 864 865 -0.11 865 863 H2A SLES 1 25.4948 20.8128 -23.2521 HCA2 862 0 0 0 0.09 866 864 H2B SLES 1 24.675 19.9432 -24.6397 HCA2 862 0 0 0 0.09 867 865 C1 SLES 1 25.9601 18.617 -23.3593 CC32A 862 866 867 868 -0.01 868 866 H1B SLES 1 26.9466 18.6702 -22.8438 HCA2 865 0 0 0 0.09 869 867 H1A SLES 1 26.0028 17.8174 -24.1351 HCA2 865 0 0 0 0.09 870 868 O1 SLES 1 25.0679 18.07 -22.3187 OC30A 865 869 0 0 -0.34 871 869 C2 SLES 1 23.7375 18.625 -22.2522 CC32A 868 870 871 872 -0.01 872 870 H2A SLES 1 23.9484 19.6911 -22.038 HCA2 869 0 0 0 0.09 873 871 H2B SLES 1 23.3866 18.5333 -23.3047 HCA2 869 0 0 0 0.09 874 872 C1 SLES 1 22.6277 18.1095 -21.2827 CC32A 869 873 874 875 -0.01 875 873 H1B SLES 1 22.6705 18.6772 -20.3277 HCA2 872 0 0 0 0.09 876 874 H1A SLES 1 21.6337 18.2693 -21.7464 HCA2 872 0 0 0 0.09 877 875 O1 SLES 1 22.5875 16.7419 -20.7623 OC30A 872 876 0 0 -0.34 878 876 C1 SLES 1 21.2377 16.2254 -20.4702 CTL2 875 877 878 879 -0.18 879 877 H11 SLES 1 20.5401 17.0798 -20.5378 HAL2 876 0 0 0 0.09 880 878 H12 SLES 1 21.0678 15.5578 -21.3401 HAL2 876 0 0 0 0.09 881 879 C2 SLES 1 20.9773 15.4332 -19.1283 CTL2 876 880 881 882 -0.18 882 880 H21 SLES 1 21.9164 15.4086 -18.5314 HAL2 879 0 0 0 0.09 883 881 H22 SLES 1 20.701 14.3848 -19.3753 HAL2 879 0 0 0 0.09 884 882 C3 SLES 1 19.8103 16.0905 -18.2425 CTL2 879 883 884 885 -0.18 885 883 H31 SLES 1 20.2694 16.642 -17.392 HAL2 882 0 0 0 0.09 886 884 H32 SLES 1 19.2551 16.8226 -18.8622 HAL2 882 0 0 0 0.09 887 885 C4 SLES 1 18.7893 15.0215 -17.6707 CTL2 882 886 887 888 -0.18 888 886 H41 SLES 1 19.024 14.8359 -16.6018 HAL2 885 0 0 0 0.09 889 887 H42 SLES 1 18.9172 14.0642 -18.2205 HAL2 885 0 0 0 0.09 890 888 C5 SLES 1 17.2707 15.4931 -17.7977 CTL2 885 889 890 891 -0.18 891 889 H51 SLES 1 17.2444 16.5939 -17.9561 HAL2 888 0 0 0 0.09 892 890 H52 SLES 1 16.8137 15.008 -18.6903 HAL2 888 0 0 0 0.09 893 891 C6 SLES 1 16.4101 15.1405 -16.5263 CTL2 888 892 893 894 -0.18 894 892 H61 SLES 1 16.7114 15.8078 -15.6878 HAL2 891 0 0 0 0.09 895 893 H62 SLES 1 15.3355 15.3357 -16.7509 HAL2 891 0 0 0 0.09 896 894 C7 SLES 1 16.5736 13.6537 -16.0779 CTL2 891 895 896 897 -0.18 897 895 H71 SLES 1 17.5088 13.5548 -15.4834 HAL2 894 0 0 0 0.09 898 896 H72 SLES 1 16.6706 13.01 -16.9805 HAL2 894 0 0 0 0.09 899 897 C8 SLES 1 15.3807 13.1526 -15.2263 CTL2 894 898 899 900 -0.18 900 898 H81 SLES 1 15.1388 13.9171 -14.4528 HAL2 897 0 0 0 0.09 901 899 H82 SLES 1 14.4891 13.0337 -15.8833 HAL2 897 0 0 0 0.09 902 900 C9 SLES 1 15.6784 11.8022 -14.5275 CTL2 897 901 902 903 -0.18 903 901 H91 SLES 1 16.5874 11.914 -13.8938 HAL2 900 0 0 0 0.09 904 902 H92 SLES 1 15.8926 11.0321 -15.3025 HAL2 900 0 0 0 0.09 905 903 C10 SLES 1 14.5047 11.3166 -13.6444 CTL2 900 904 905 906 -0.18 906 904 H10 SLES 1 14.3054 12.0763 -12.8544 HAL2 903 0 0 0 0.09 907 905 H10 SLES 1 13.5899 11.2259 -14.2729 HAL2 903 0 0 0 0.09 908 906 C11 SLES 1 14.7943 9.94913 -12.9705 CTL2 903 907 908 909 -0.18 909 907 H11 SLES 1 15.7059 10.0469 -12.3377 HAL2 906 0 0 0 0.09 910 908 H11 SLES 1 15.0105 9.19719 -13.7635 HAL2 906 0 0 0 0.09 911 909 C12 SLES 1 13.629 9.42668 -12.0908 CTL3 906 910 911 912 -0.27 912 910 H12 SLES 1 13.9695 9.28797 -11.041 HAL3 909 0 0 0 0.09 913 911 H12 SLES 1 13.2616 8.45006 -12.4762 HAL3 909 0 0 0 0.09 914 912 H12 SLES 1 12.7849 10.1502 -12.0968 HAL3 909 0 0 0 0.09 915 913 NA SLES 1 25.632 -15.8781 -32.295 NA 0 0 0 0 1 916 914 S SLES 1 27.4889 -14.9565 -29.2861 SL 915 916 917 918 1.33 917 915 OS1 SLES 1 25.8414 -14.7284 -29.4889 OSL 914 919 0 0 -0.28 918 916 OS2 SLES 1 27.7296 -16.3737 -29.4623 O2L 914 0 0 0 -0.65 919 917 OS3 SLES 1 28.1323 -14.2121 -30.3484 O2L 914 0 0 0 -0.65 920 918 OS4 SLES 1 28.003 -14.5233 -27.9968 O2L 914 0 0 0 -0.65 921 919 C2 SLES 1 25.2173 -14.3024 -28.2046 CC32A 915 920 921 922 -0.11 922 920 H2A SLES 1 25.4451 -15.0426 -27.3877 HCA2 919 0 0 0 0.09 923 921 H2B SLES 1 25.6409 -13.3003 -27.9168 HCA2 919 0 0 0 0.09 924 922 C1 SLES 1 23.6319 -14.1837 -28.3995 CC32A 919 923 924 925 -0.01 925 923 H1B SLES 1 23.222 -15.1515 -28.7699 HCA2 922 0 0 0 0.09 926 924 H1A SLES 1 23.3995 -13.3868 -29.1439 HCA2 922 0 0 0 0.09 927 925 O1 SLES 1 22.7643 -13.8722 -27.247 OC30A 922 926 0 0 -0.34 928 926 C2 SLES 1 23.4088 -13.2974 -26.0908 CC32A 925 927 928 929 -0.01 929 927 H2A SLES 1 24.1248 -14.0951 -25.812 HCA2 926 0 0 0 0.09 930 928 H2B SLES 1 23.9744 -12.4453 -26.5305 HCA2 926 0 0 0 0.09 931 929 C1 SLES 1 22.6435 -12.8173 -24.8175 CC32A 926 930 931 932 -0.01 932 930 H1B SLES 1 22.5729 -13.6512 -24.0856 HCA2 929 0 0 0 0.09 933 931 H1A SLES 1 23.2 -11.9805 -24.3499 HCA2 929 0 0 0 0.09 934 932 O1 SLES 1 21.2469 -12.3793 -24.8372 OC30A 929 933 0 0 -0.34 935 933 C1 SLES 1 20.8954 -11.3708 -23.8206 CTL2 932 934 935 936 -0.18 936 934 H11 SLES 1 21.7498 -11.2994 -23.1233 HAL2 933 0 0 0 0.09 937 935 H12 SLES 1 20.8592 -10.4472 -24.4346 HAL2 933 0 0 0 0.09 938 936 C2 SLES 1 19.5533 -11.5219 -23.0008 CTL2 933 937 938 939 -0.18 939 937 H21 SLES 1 19.0431 -12.4625 -23.3069 HAL2 936 0 0 0 0.09 940 938 H22 SLES 1 18.8809 -10.6715 -23.2484 HAL2 936 0 0 0 0.09 941 939 C3 SLES 1 19.8014 -11.5525 -21.4146 CTL2 936 940 941 942 -0.18 942 940 H31 SLES 1 19.704 -12.6006 -21.0539 HAL2 939 0 0 0 0.09 943 941 H32 SLES 1 20.836 -11.2154 -21.2042 HAL2 939 0 0 0 0.09 944 942 C4 SLES 1 18.7883 -10.6359 -20.611 CTL2 939 943 944 945 -0.18 945 943 H41 SLES 1 18.0071 -11.2784 -20.1538 HAL2 942 0 0 0 0.09 946 944 H42 SLES 1 18.288 -9.93866 -21.3171 HAL2 942 0 0 0 0.09 947 945 C5 SLES 1 19.5036 -9.78782 -19.4648 CTL2 942 946 947 948 -0.18 948 946 H51 SLES 1 20.4942 -10.2421 -19.2414 HAL2 945 0 0 0 0.09 949 947 H52 SLES 1 19.6781 -8.7519 -19.8354 HAL2 945 0 0 0 0.09 950 948 C6 SLES 1 18.6621 -9.72102 -18.1349 CTL2 945 949 950 951 -0.18 951 949 H61 SLES 1 18.6929 -10.7155 -17.6357 HAL2 948 0 0 0 0.09 952 950 H62 SLES 1 19.1295 -8.97764 -17.4476 HAL2 948 0 0 0 0.09 953 951 C7 SLES 1 17.173 -9.32016 -18.3802 CTL2 948 952 953 954 -0.18 954 952 H71 SLES 1 16.6042 -10.2192 -18.7055 HAL2 951 0 0 0 0.09 955 953 H72 SLES 1 17.1285 -8.56997 -19.2009 HAL2 951 0 0 0 0.09 956 954 C8 SLES 1 16.4987 -8.72776 -17.1177 CTL2 951 955 956 957 -0.18 957 955 H81 SLES 1 16.7378 -9.37213 -16.2408 HAL2 954 0 0 0 0.09 958 956 H82 SLES 1 16.9167 -7.71372 -16.9238 HAL2 954 0 0 0 0.09 959 957 C9 SLES 1 14.9599 -8.62175 -17.2633 CTL2 954 958 959 960 -0.18 960 958 H91 SLES 1 14.5459 -9.63125 -17.4865 HAL2 957 0 0 0 0.09 961 959 H92 SLES 1 14.7218 -7.95522 -18.1227 HAL2 957 0 0 0 0.09 962 960 C10 SLES 1 14.2776 -8.06722 -15.9904 CTL2 957 961 962 963 -0.18 963 961 H10 SLES 1 14.4963 -8.7466 -15.1352 HAL2 960 0 0 0 0.09 964 962 H10 SLES 1 14.7068 -7.06731 -15.7539 HAL2 960 0 0 0 0.09 965 963 C11 SLES 1 12.7399 -7.93352 -16.1507 CTL2 960 964 965 966 -0.18 966 964 H11 SLES 1 12.3145 -8.93724 -16.3803 HAL2 963 0 0 0 0.09 967 965 H11 SLES 1 12.5262 -7.26781 -17.0179 HAL2 963 0 0 0 0.09 968 966 C12 SLES 1 12.0279 -7.36414 -14.8963 CTL3 963 967 968 969 -0.27 969 967 H12 SLES 1 11.2774 -8.091 -14.5146 HAL3 966 0 0 0 0.09 970 968 H12 SLES 1 11.5061 -6.41402 -15.1459 HAL3 966 0 0 0 0.09 971 969 H12 SLES 1 12.7666 -7.1615 -14.0904 HAL3 966 0 0 0 0.09 972 970 NA SLES 1 -4.14759 -25.2172 -36.0413 NA 0 0 0 0 1 973 971 S SLES 1 -6.74059 -25.821 -33.5389 SL 972 973 974 975 1.33 974 972 OS1 SLES 1 -5.45521 -24.7658 -33.3346 OSL 971 976 0 0 -0.28 975 973 OS2 SLES 1 -7.44935 -25.3771 -34.7213 O2L 971 0 0 0 -0.65 976 974 OS3 SLES 1 -6.15751 -27.1251 -33.775 O2L 971 0 0 0 -0.65 977 975 OS4 SLES 1 -7.65354 -25.8845 -32.4088 O2L 971 0 0 0 -0.65 978 976 C2 SLES 1 -5.63941 -23.962 -32.0934 CC32A 972 977 978 979 -0.11 979 977 H2A SLES 1 -6.629 -23.4258 -32.1108 HCA2 976 0 0 0 0.09 980 978 H2B SLES 1 -5.61812 -24.6589 -31.2102 HCA2 976 0 0 0 0.09 981 979 C1 SLES 1 -4.44967 -22.8966 -31.9707 CC32A 976 980 981 982 -0.01 982 980 H1B SLES 1 -4.4134 -22.2617 -32.8858 HCA2 979 0 0 0 0.09 983 981 H1A SLES 1 -3.47488 -23.4269 -31.8624 HCA2 979 0 0 0 0.09 984 982 O1 SLES 1 -4.45104 -21.9063 -30.8764 OC30A 979 983 0 0 -0.34 985 983 C2 SLES 1 -5.30013 -22.195 -29.7458 CC32A 982 984 985 986 -0.01 986 984 H2A SLES 1 -6.30134 -22.2279 -30.2184 HCA2 983 0 0 0 0.09 987 985 H2B SLES 1 -4.99641 -23.2316 -29.4764 HCA2 983 0 0 0 0.09 988 986 C1 SLES 1 -5.36188 -21.3152 -28.4576 CC32A 983 987 988 989 -0.01 989 987 H1B SLES 1 -6.15235 -20.5414 -28.5693 HCA2 986 0 0 0 0.09 990 988 H1A SLES 1 -5.6125 -21.9559 -27.5885 HCA2 986 0 0 0 0.09 991 989 O1 SLES 1 -4.25078 -20.4776 -28.0028 OC30A 986 990 0 0 -0.34 992 990 C1 SLES 1 -4.1743 -20.2819 -26.5434 CTL2 989 991 992 993 -0.18 993 991 H11 SLES 1 -5.1132 -20.6741 -26.1123 HAL2 990 0 0 0 0.09 994 992 H12 SLES 1 -3.34542 -20.9693 -26.2754 HAL2 990 0 0 0 0.09 995 993 C2 SLES 1 -3.88491 -18.8417 -25.9619 CTL2 990 994 995 996 -0.18 996 994 H21 SLES 1 -3.81093 -18.1169 -26.8033 HAL2 993 0 0 0 0.09 997 995 H22 SLES 1 -2.9061 -18.8549 -25.4343 HAL2 993 0 0 0 0.09 998 996 C3 SLES 1 -5.02503 -18.3487 -24.9443 CTL2 993 997 998 999 -0.18 999 997 H31 SLES 1 -5.67212 -17.6045 -25.4597 HAL2 996 0 0 0 0.09 1000 998 H32 SLES 1 -5.6585 -19.214 -24.6646 HAL2 996 0 0 0 0.09 1001 999 C4 SLES 1 -4.43792 -17.6936 -23.6258 CTL2 996 1000 1001 1002 -0.18 1002 1000 H41 SLES 1 -4.51631 -16.5894 -23.7072 HAL2 999 0 0 0 0.09 1003 1001 H42 SLES 1 -3.36139 -17.9547 -23.5367 HAL2 999 0 0 0 0.09 1004 1002 C5 SLES 1 -5.19865 -18.1756 -22.3091 CTL2 999 1003 1004 1005 -0.18 1005 1003 H51 SLES 1 -6.18146 -18.6105 -22.5961 HAL2 1002 0 0 0 0.09 1006 1004 H52 SLES 1 -4.60061 -18.9765 -21.8173 HAL2 1002 0 0 0 0.09 1007 1005 C6 SLES 1 -5.43914 -17.0095 -21.2776 CTL2 1002 1006 1007 1008 -0.18 1008 1006 H61 SLES 1 -6.22762 -16.3312 -21.6742 HAL2 1005 0 0 0 0.09 1009 1007 H62 SLES 1 -5.81026 -17.444 -20.32 HAL2 1005 0 0 0 0.09 1010 1008 C7 SLES 1 -4.14858 -16.1782 -20.9921 CTL2 1005 1009 1010 1011 -0.18 1011 1009 H71 SLES 1 -4.00588 -15.4374 -21.8098 HAL2 1008 0 0 0 0.09 1012 1010 H72 SLES 1 -3.2694 -16.8603 -20.9892 HAL2 1008 0 0 0 0.09 1013 1011 C8 SLES 1 -4.20956 -15.4276 -19.6383 CTL2 1008 1012 1013 1014 -0.18 1014 1012 H81 SLES 1 -5.19825 -14.9222 -19.5463 HAL2 1011 0 0 0 0.09 1015 1013 H82 SLES 1 -4.12187 -16.1657 -18.8088 HAL2 1011 0 0 0 0.09 1016 1014 C9 SLES 1 -3.08569 -14.3707 -19.4966 CTL2 1011 1015 1016 1017 -0.18 1017 1015 H91 SLES 1 -3.15595 -13.6502 -20.3429 HAL2 1014 0 0 0 0.09 1018 1016 H92 SLES 1 -2.098 -14.8804 -19.5606 HAL2 1014 0 0 0 0.09 1019 1017 C10 SLES 1 -3.16557 -13.5909 -18.1628 CTL2 1014 1018 1019 1020 -0.18 1020 1018 H10 SLES 1 -4.14432 -13.0619 -18.1089 HAL2 1017 0 0 0 0.09 1021 1019 H10 SLES 1 -3.11766 -14.3127 -17.3161 HAL2 1017 0 0 0 0.09 1022 1020 C11 SLES 1 -2.02053 -12.5547 -18.0107 CTL2 1017 1021 1022 1023 -0.18 1023 1021 H11 SLES 1 -2.07694 -11.8312 -18.8559 HAL2 1020 0 0 0 0.09 1024 1022 H11 SLES 1 -1.04407 -13.086 -18.0832 HAL2 1020 0 0 0 0.09 1025 1023 C12 SLES 1 -2.0632 -11.7676 -16.6754 CTL3 1020 1024 1025 1026 -0.27 1026 1024 H12 SLES 1 -2.15467 -10.6767 -16.8725 HAL3 1023 0 0 0 0.09 1027 1025 H12 SLES 1 -1.13301 -11.9455 -16.0919 HAL3 1023 0 0 0 0.09 1028 1026 H12 SLES 1 -2.93292 -12.0911 -16.0629 HAL3 1023 0 0 0 0.09 1029 1027 NA SLES 1 -22.2581 1.4416 -38.139 NA 0 0 0 0 1 1030 1028 S SLES 1 -19.3728 3.68182 -38.0546 SL 1029 1030 1031 1032 1.33 1031 1029 OS1 SLES 1 -19.8833 2.74652 -36.7615 OSL 1028 1033 0 0 -0.28 1032 1030 OS2 SLES 1 -19.1099 2.76411 -39.1437 O2L 1028 0 0 0 -0.65 1033 1031 OS3 SLES 1 -20.4869 4.54222 -38.3939 O2L 1028 0 0 0 -0.65 1034 1032 OS4 SLES 1 -18.1906 4.4853 -37.7876 O2L 1028 0 0 0 -0.65 1035 1033 C2 SLES 1 -18.88 2.7959 -35.6609 CC32A 1029 1034 1035 1036 -0.11 1036 1034 H2A SLES 1 -17.865 2.48413 -36.0345 HCA2 1033 0 0 0 0.09 1037 1035 H2B SLES 1 -18.8192 3.85308 -35.2802 HCA2 1033 0 0 0 0.09 1038 1036 C1 SLES 1 -19.3431 1.82061 -34.4776 CC32A 1033 1037 1038 1039 -0.01 1039 1037 H1B SLES 1 -19.4896 0.788801 -34.8722 HCA2 1036 0 0 0 0.09 1040 1038 H1A SLES 1 -20.3058 2.17967 -34.0446 HCA2 1036 0 0 0 0.09 1041 1039 O1 SLES 1 -18.4708 1.61 -33.306 OC30A 1036 1040 0 0 -0.34 1042 1040 C2 SLES 1 -17.4339 2.58997 -33.0888 CC32A 1039 1041 1042 1043 -0.01 1043 1041 H2A SLES 1 -16.8376 2.4968 -34.0176 HCA2 1040 0 0 0 0.09 1044 1042 H2B SLES 1 -17.9995 3.54835 -33.1203 HCA2 1040 0 0 0 0.09 1045 1043 C1 SLES 1 -16.478 2.58558 -31.8545 CC32A 1040 1044 1045 1046 -0.01 1046 1044 H1B SLES 1 -15.5637 1.99854 -32.0902 HCA2 1043 0 0 0 0.09 1047 1045 H1A SLES 1 -16.1803 3.62688 -31.6186 HCA2 1043 0 0 0 0.09 1048 1046 O1 SLES 1 -16.8341 1.99185 -30.5648 OC30A 1043 1047 0 0 -0.34 1049 1047 C1 SLES 1 -16.204 2.62503 -29.3918 CTL2 1046 1048 1049 1050 -0.18 1050 1048 H11 SLES 1 -15.4303 3.31693 -29.7711 HAL2 1047 0 0 0 0.09 1051 1049 H12 SLES 1 -17.0478 3.2218 -28.9878 HAL2 1047 0 0 0 0.09 1052 1050 C2 SLES 1 -15.5925 1.72084 -28.2495 CTL2 1047 1051 1052 1053 -0.18 1053 1051 H21 SLES 1 -15.701 0.650423 -28.5346 HAL2 1050 0 0 0 0.09 1054 1052 H22 SLES 1 -16.167 1.88538 -27.3118 HAL2 1050 0 0 0 0.09 1055 1053 C3 SLES 1 -14.0414 2.03652 -27.9792 CTL2 1050 1054 1055 1056 -0.18 1056 1054 H31 SLES 1 -13.4239 1.23102 -28.4354 HAL2 1053 0 0 0 0.09 1057 1055 H32 SLES 1 -13.7752 2.99112 -28.4752 HAL2 1053 0 0 0 0.09 1058 1056 C4 SLES 1 -13.6901 2.14265 -26.4372 CTL2 1053 1057 1058 1059 -0.18 1059 1057 H41 SLES 1 -13.1994 1.20073 -26.1145 HAL2 1056 0 0 0 0.09 1060 1058 H42 SLES 1 -14.6303 2.25552 -25.8556 HAL2 1056 0 0 0 0.09 1061 1059 C5 SLES 1 -12.7275 3.37182 -26.1096 CTL2 1056 1060 1061 1062 -0.18 1062 1060 H51 SLES 1 -12.2365 3.70894 -27.0492 HAL2 1059 0 0 0 0.09 1063 1061 H52 SLES 1 -13.339 4.21774 -25.7206 HAL2 1059 0 0 0 0.09 1064 1062 C6 SLES 1 -11.6151 3.0155 -25.0528 CTL2 1059 1063 1064 1065 -0.18 1065 1063 H61 SLES 1 -10.8614 2.34958 -25.5298 HAL2 1062 0 0 0 0.09 1066 1064 H62 SLES 1 -11.097 3.9529 -24.7424 HAL2 1062 0 0 0 0.09 1067 1065 C7 SLES 1 -12.1893 2.30836 -23.7845 CTL2 1062 1066 1067 1068 -0.18 1068 1066 H71 SLES 1 -12.3366 1.22826 -24.0068 HAL2 1065 0 0 0 0.09 1069 1067 H72 SLES 1 -13.1823 2.74761 -23.5411 HAL2 1065 0 0 0 0.09 1070 1068 C8 SLES 1 -11.2606 2.44631 -22.5524 CTL2 1065 1069 1070 1071 -0.18 1071 1069 H81 SLES 1 -10.2134 2.2201 -22.8585 HAL2 1068 0 0 0 0.09 1072 1070 H82 SLES 1 -11.293 3.49844 -22.1883 HAL2 1068 0 0 0 0.09 1073 1071 C9 SLES 1 -11.6662 1.49774 -21.3965 CTL2 1068 1072 1073 1074 -0.18 1074 1072 H91 SLES 1 -11.6622 0.448382 -21.7696 HAL2 1071 0 0 0 0.09 1075 1073 H92 SLES 1 -12.7027 1.74307 -21.0725 HAL2 1071 0 0 0 0.09 1076 1074 C10 SLES 1 -10.7183 1.60334 -20.1784 CTL2 1071 1075 1076 1077 -0.18 1077 1075 H10 SLES 1 -9.68524 1.33524 -20.4971 HAL2 1074 0 0 0 0.09 1078 1076 H10 SLES 1 -10.7047 2.65705 -19.8185 HAL2 1074 0 0 0 0.09 1079 1077 C11 SLES 1 -11.1454 0.674528 -19.0109 CTL2 1074 1078 1079 1080 -0.18 1080 1078 H11 SLES 1 -11.1508 -0.378686 -19.374 HAL2 1077 0 0 0 0.09 1081 1079 H11 SLES 1 -12.1853 0.93443 -18.7078 HAL2 1077 0 0 0 0.09 1082 1080 C12 SLES 1 -10.2238 0.76967 -17.7674 CTL3 1077 1081 1082 1083 -0.27 1083 1081 H12 SLES 1 -9.77655 -0.223309 -17.541 HAL3 1080 0 0 0 0.09 1084 1082 H12 SLES 1 -10.8046 1.10732 -16.8809 HAL3 1080 0 0 0 0.09 1085 1083 H12 SLES 1 -9.40147 1.4954 -17.9497 HAL3 1080 0 0 0 0.09 1086 1084 NA SLES 1 8.80826 9.52799 -42.234 NA 0 0 0 0 1 1087 1085 S SLES 1 5.24522 9.63762 -41.4321 SL 1086 1087 1088 1089 1.33 1088 1086 OS1 SLES 1 6.44496 9.18608 -40.3531 OSL 1085 1090 0 0 -0.28 1089 1087 OS2 SLES 1 5.57668 10.9762 -41.8746 O2L 1085 0 0 0 -0.65 1090 1088 OS3 SLES 1 5.3357 8.71496 -42.5443 O2L 1085 0 0 0 -0.65 1091 1089 OS4 SLES 1 3.89992 9.6172 -40.8805 O2L 1085 0 0 0 -0.65 1092 1090 C2 SLES 1 5.87991 9.04718 -38.9814 CC32A 1086 1091 1092 1093 -0.11 1093 1091 H2A SLES 1 5.36279 9.99633 -38.6669 HCA2 1090 0 0 0 0.09 1094 1092 H2B SLES 1 5.12982 8.20838 -38.9873 HCA2 1090 0 0 0 0.09 1095 1093 C1 SLES 1 7.06104 8.70943 -37.9534 CC32A 1090 1094 1095 1096 -0.01 1096 1094 H1B SLES 1 7.84915 9.49522 -38.0101 HCA2 1093 0 0 0 0.09 1097 1095 H1A SLES 1 7.51671 7.72449 -38.2091 HCA2 1093 0 0 0 0.09 1098 1096 O1 SLES 1 6.78209 8.61913 -36.5071 OC30A 1093 1097 0 0 -0.34 1099 1097 C2 SLES 1 5.40155 8.44215 -36.1258 CC32A 1096 1098 1099 1100 -0.01 1100 1098 H2A SLES 1 4.93472 9.35824 -36.5378 HCA2 1097 0 0 0 0.09 1101 1099 H2B SLES 1 5.09127 7.57137 -36.7461 HCA2 1097 0 0 0 0.09 1102 1100 C1 SLES 1 4.9259 8.23314 -34.6536 CC32A 1097 1101 1102 1103 -0.01 1103 1101 H1B SLES 1 4.69467 9.21721 -34.1908 HCA2 1100 0 0 0 0.09 1104 1102 H1A SLES 1 4.00622 7.61444 -34.6505 HCA2 1100 0 0 0 0.09 1105 1103 O1 SLES 1 5.77425 7.65589 -33.6096 OC30A 1100 1104 0 0 -0.34 1106 1104 C1 SLES 1 5.05234 6.91791 -32.5569 CTL2 1103 1105 1106 1107 -0.18 1107 1105 H11 SLES 1 3.97558 7.12582 -32.693 HAL2 1104 0 0 0 0.09 1108 1106 H12 SLES 1 5.25196 5.86719 -32.8526 HAL2 1104 0 0 0 0.09 1109 1107 C2 SLES 1 5.44616 7.1319 -31.0419 CTL2 1104 1108 1109 1110 -0.18 1110 1108 H21 SLES 1 6.25146 7.89765 -30.9792 HAL2 1107 0 0 0 0.09 1111 1109 H22 SLES 1 5.84803 6.17831 -30.6347 HAL2 1107 0 0 0 0.09 1112 1110 C3 SLES 1 4.20199 7.60513 -30.1438 CTL2 1107 1111 1112 1113 -0.18 1113 1111 H31 SLES 1 4.29928 8.69416 -29.9369 HAL2 1110 0 0 0 0.09 1114 1112 H32 SLES 1 3.26472 7.45001 -30.7145 HAL2 1110 0 0 0 0.09 1115 1113 C4 SLES 1 4.10031 6.82727 -28.7665 CTL2 1110 1114 1115 1116 -0.18 1116 1114 H41 SLES 1 4.48995 7.47822 -27.9562 HAL2 1113 0 0 0 0.09 1117 1115 H42 SLES 1 4.73864 5.91873 -28.8125 HAL2 1113 0 0 0 0.09 1118 1116 C5 SLES 1 2.60603 6.39339 -28.4149 CTL2 1113 1117 1118 1119 -0.18 1119 1117 H51 SLES 1 1.89935 6.99559 -29.0276 HAL2 1116 0 0 0 0.09 1120 1118 H52 SLES 1 2.46626 5.32189 -28.6856 HAL2 1116 0 0 0 0.09 1121 1119 C6 SLES 1 2.25295 6.58716 -26.892 CTL2 1116 1120 1121 1122 -0.18 1122 1120 H61 SLES 1 2.15425 7.67506 -26.678 HAL2 1119 0 0 0 0.09 1123 1121 H62 SLES 1 1.2686 6.10606 -26.6845 HAL2 1119 0 0 0 0.09 1124 1122 C7 SLES 1 3.32823 5.97611 -25.9388 CTL2 1119 1123 1124 1125 -0.18 1125 1123 H71 SLES 1 4.1756 6.69055 -25.8424 HAL2 1122 0 0 0 0.09 1126 1124 H72 SLES 1 3.72053 5.03638 -26.3875 HAL2 1122 0 0 0 0.09 1127 1125 C8 SLES 1 2.76828 5.66649 -24.528 CTL2 1122 1126 1127 1128 -0.18 1128 1126 H81 SLES 1 2.17707 6.54075 -24.1709 HAL2 1125 0 0 0 0.09 1129 1127 H82 SLES 1 2.08291 4.79087 -24.5927 HAL2 1125 0 0 0 0.09 1130 1128 C9 SLES 1 3.88728 5.3589 -23.5016 CTL2 1125 1129 1130 1131 -0.18 1131 1129 H91 SLES 1 4.58875 6.2229 -23.4593 HAL2 1128 0 0 0 0.09 1132 1130 H92 SLES 1 4.45995 4.46812 -23.8452 HAL2 1128 0 0 0 0.09 1133 1131 C10 SLES 1 3.3357 5.08745 -22.0819 CTL2 1128 1132 1133 1134 -0.18 1134 1132 H10 SLES 1 2.78247 5.98735 -21.7285 HAL2 1131 0 0 0 0.09 1135 1133 H10 SLES 1 2.61732 4.2378 -22.1272 HAL2 1131 0 0 0 0.09 1136 1134 C11 SLES 1 4.45665 4.74958 -21.0635 CTL2 1131 1135 1136 1137 -0.18 1137 1135 H11 SLES 1 5.16868 5.60512 -21.0167 HAL2 1134 0 0 0 0.09 1138 1136 H11 SLES 1 5.01828 3.86017 -21.4302 HAL2 1134 0 0 0 0.09 1139 1137 C12 SLES 1 3.93397 4.45579 -19.6334 CTL3 1134 1138 1139 1140 -0.27 1140 1138 H12 SLES 1 4.37658 5.17114 -18.9056 HAL3 1137 0 0 0 0.09 1141 1139 H12 SLES 1 4.20832 3.42246 -19.3263 HAL3 1137 0 0 0 0.09 1142 1140 H12 SLES 1 2.82705 4.55381 -19.5981 HAL3 1137 0 0 0 0.09 -
tests/regression/Filling/SphericalSurface/testsuite-molecules-fill-spherical-surface.at
r1dbbeb r2cc1cb 25 25 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0) 26 26 AT_CHECK([chmod u+w $file], 0) 27 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 0--min-distance 3.1 --Alignment-Axis "0,0,1"], 0, [stdout], [stderr])28 AT_CHECK([grep "20 0 out of 200 returned true from predicate" stdout], 0, [ignore], [ignore])27 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 --min-distance 3.1 --Alignment-Axis "0,0,1"], 0, [stdout], [stderr]) 28 AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore]) 29 29 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/tensid.data], 0, [ignore], [ignore]) 30 30 … … 39 39 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0) 40 40 AT_CHECK([chmod u+w $file], 0) 41 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 0--min-distance 3.1 --Alignment-Axis "0,0,1" --undo], 0, [stdout], [stderr])41 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 --min-distance 3.1 --Alignment-Axis "0,0,1" --undo], 0, [stdout], [stderr]) 42 42 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/$file], 0, [ignore], [ignore]) 43 43 … … 52 52 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0) 53 53 AT_CHECK([chmod u+w $file], 0) 54 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 0--min-distance 3.1 --Alignment-Axis "0,0,1" --undo --redo], 0, [stdout], [stderr])54 AT_CHECK([../../molecuilder --parse-tremolo-potentials tensid.potentials -i $file --select-all-molecules --rotate-to-principal-axis-system "0,0,-1" --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "0,0,0" --stretch "20.,20.,20." --select-shape-by-name "sphere1" --fill-surface --count 20 --min-distance 3.1 --Alignment-Axis "0,0,1" --undo --redo], 0, [stdout], [stderr]) 55 55 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/tensid.data], 0, [ignore], [ignore]) 56 56
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