Index: tests/regression/Potential/FitPotential/pre/torsion_common.pdb
===================================================================
--- tests/regression/Potential/FitPotential/pre/torsion_common.pdb	(revision 16c6f7843f246e0e7ac0521b380137a10e710076)
+++ tests/regression/Potential/FitPotential/pre/torsion_common.pdb	(revision 16c6f7843f246e0e7ac0521b380137a10e710076)
@@ -0,0 +1,630 @@
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:02 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:03 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:04 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
+REMARK created by molecuilder on Thu Oct 20 23:59:05 2016, time step 0
+ATOM      1 C01 0non 01          5.890   6.513   5.890  0.00  0.00           C 0
+ATOM      2 C02 0non 01          7.139   5.629   5.890  0.00  0.00           C 0
+ATOM      3 H01 0non 01          5.890   7.142   5.000  0.00  0.00           H 0
+ATOM      4 H02 0non 01          5.890   7.142   6.780  0.00  0.00           H 0
+ATOM      5 H03 0non 01          7.139   5.000   5.000  0.00  0.00           H 0
+ATOM      6 H04 0non 01          7.139   5.000   6.780  0.00  0.00           H 0
+ATOM      7 H05 0non 01          9.638   5.000   6.780  0.00  0.00           H 0
+ATOM      8 H06 0non 01          9.638   5.000   5.000  0.00  0.00           H 0
+ATOM      9 H07 0non 01          8.389   7.142   6.780  0.00  0.00           H 0
+ATOM     10 H08 0non 01          8.389   7.142   5.000  0.00  0.00           H 0
+ATOM     11 C04 0non 01          8.389   6.513   5.890  0.00  0.00           C 0
+ATOM     12 C03 0non 01          9.638   5.629   5.890  0.00  0.00           C 0
+ATOM     13 H09 0non 01          5.000   5.883   5.890  0.00  0.00           H 0
+ATOM     14 H10 0non 01         10.528   6.259   5.890  0.00  0.00           H 0
+CONECT    1   13    3    4    2                                                 
+CONECT    2    1    5    6   11                                                 
+CONECT    3    1                                                                
+CONECT    4    1                                                                
+CONECT    5    2                                                                
+CONECT    6    2                                                                
+CONECT    7   12                                                                
+CONECT    8   12                                                                
+CONECT    9   11                                                                
+CONECT   10   11                                                                
+CONECT   11    2    9   10   12                                                 
+CONECT   12    7    8   11   14                                                 
+CONECT   13    1                                                                
+CONECT   14   12                                                                
+END
