Index: tests/regression/Filling/SphericalSurface/post/tensid.data
===================================================================
--- tests/regression/Filling/SphericalSurface/post/tensid.data	(revision 1dbbebbd0643e4b6a024acbe95232cacda8a7a10)
+++ tests/regression/Filling/SphericalSurface/post/tensid.data	(revision 2cc1cbe98dd0605266ded20ff583bfaf6b64fb77)
@@ -1,11402 +1,1142 @@
 # ATOMDATA	Id	name	resName	chainID	x=3	type	neighbors=4	charge
 # Box	20	0	0	0	20	0	0	0	20
-1	NA	SLES	1	4.02107	-4.48116	43.7702	NA	0	0	0	0	1	
-2	S	SLES	1	2.20463	-1.46997	42.7784	SL	3	4	5	6	1.33	
-3	OS1	SLES	1	2.90755	-2.54803	41.7055	OSL	2	7	0	0	-0.28	
-4	OS2	SLES	1	1.26582	-2.23647	43.5712	O2L	2	0	0	0	-0.65	
-5	OS3	SLES	1	3.27709	-0.982584	43.6203	O2L	2	0	0	0	-0.65	
-6	OS4	SLES	1	1.5228	-0.350824	42.1483	O2L	2	0	0	0	-0.65	
-7	C2	SLES	1	2.50544	-2.22193	40.3083	CC32A	3	8	9	10	-0.11	
-8	H2A	SLES	1	1.38404	-2.19968	40.2127	HCA2	7	0	0	0	0.09	
-9	H2B	SLES	1	2.91359	-1.20636	40.0469	HCA2	7	0	0	0	0.09	
-10	C1	SLES	1	3.11079	-3.32089	39.3125	CC32A	7	11	12	13	-0.01	
-11	H1B	SLES	1	2.77836	-4.3381	39.6232	HCA2	10	0	0	0	0.09	
-12	H1A	SLES	1	4.22484	-3.2836	39.338	HCA2	10	0	0	0	0.09	
-13	O1	SLES	1	2.7762	-3.28401	37.8756	OC30A	10	14	0	0	-0.34	
-14	C2	SLES	1	2.25049	-2.03999	37.367	CC32A	13	15	16	17	-0.01	
-15	H2A	SLES	1	1.32657	-1.92377	37.9668	HCA2	14	0	0	0	0.09	
-16	H2B	SLES	1	3.00297	-1.2995	37.7203	HCA2	14	0	0	0	0.09	
-17	C1	SLES	1	1.92868	-1.78282	35.8612	CC32A	14	18	19	20	-0.01	
-18	H1B	SLES	1	0.871815	-2.05678	35.6513	HCA2	17	0	0	0	0.09	
-19	H1A	SLES	1	2.06794	-0.706501	35.6359	HCA2	17	0	0	0	0.09	
-20	O1	SLES	1	2.5951	-2.48853	34.7654	OC30A	17	21	0	0	-0.34	
-21	C1	SLES	1	2.71371	-1.72235	33.5113	CTL2	20	22	23	24	-0.18	
-22	H11	SLES	1	2.08795	-0.818195	33.6212	HAL2	21	0	0	0	0.09	
-23	H12	SLES	1	3.78145	-1.42177	33.5407	HAL2	21	0	0	0	0.09	
-24	C2	SLES	1	2.39291	-2.42461	32.1328	CTL2	21	25	26	27	-0.18	
-25	H21	SLES	1	2.06149	-3.46969	32.3245	HAL2	24	0	0	0	0.09	
-26	H22	SLES	1	3.32226	-2.46646	31.5236	HAL2	24	0	0	0	0.09	
-27	C3	SLES	1	1.25283	-1.65733	31.3022	CTL2	24	28	29	30	-0.18	
-28	H31	SLES	1	0.299287	-2.2244	31.3887	HAL2	27	0	0	0	0.09	
-29	H32	SLES	1	1.09385	-0.655094	31.7477	HAL2	27	0	0	0	0.09	
-30	C4	SLES	1	1.61225	-1.48709	29.7679	CTL2	27	31	32	33	-0.18	
-31	H41	SLES	1	1.04883	-2.24194	29.1806	HAL2	30	0	0	0	0.09	
-32	H42	SLES	1	2.69695	-1.68098	29.6235	HAL2	30	0	0	0	0.09	
-33	C5	SLES	1	1.26789	-0.0312294	29.2141	CTL2	30	34	35	36	-0.18	
-34	H51	SLES	1	0.55459	0.462734	29.9103	HAL2	33	0	0	0	0.09	
-35	H52	SLES	1	2.20035	0.577798	29.1906	HAL2	33	0	0	0	0.09	
-36	C6	SLES	1	0.636498	-0.0569407	27.7712	CTL2	33	37	38	39	-0.18	
-37	H61	SLES	1	-0.403207	-0.449052	27.837	HAL2	36	0	0	0	0.09	
-38	H62	SLES	1	0.585658	0.985902	27.3796	HAL2	36	0	0	0	0.09	
-39	C7	SLES	1	1.45011	-0.936645	26.7699	CTL2	36	40	41	42	-0.18	
-40	H71	SLES	1	1.17526	-2.00436	26.9189	HAL2	39	0	0	0	0.09	
-41	H72	SLES	1	2.53573	-0.827612	26.9887	HAL2	39	0	0	0	0.09	
-42	C8	SLES	1	1.19198	-0.552239	25.2917	CTL2	39	43	44	45	-0.18	
-43	H81	SLES	1	0.095189	-0.4404	25.1307	HAL2	42	0	0	0	0.09	
-44	H82	SLES	1	1.67255	0.430468	25.082	HAL2	42	0	0	0	0.09	
-45	C9	SLES	1	1.74403	-1.60753	24.3008	CTL2	42	46	47	48	-0.18	
-46	H91	SLES	1	1.2852	-2.59606	24.5302	HAL2	45	0	0	0	0.09	
-47	H92	SLES	1	2.84446	-1.69835	24.4433	HAL2	45	0	0	0	0.09	
-48	C10	SLES	1	1.4543	-1.24774	22.8243	CTL2	45	49	50	51	-0.18	
-49	H10	SLES	1	0.352407	-1.17976	22.676	HAL2	48	0	0	0	0.09	
-50	H10	SLES	1	1.89377	-0.24937	22.6003	HAL2	48	0	0	0	0.09	
-51	C11	SLES	1	2.03534	-2.29105	21.8334	CTL2	48	52	53	54	-0.18	
-52	H11	SLES	1	1.58764	-3.28637	22.0571	HAL2	51	0	0	0	0.09	
-53	H11	SLES	1	3.1344	-2.36853	21.9978	HAL2	51	0	0	0	0.09	
-54	C12	SLES	1	1.77574	-1.94986	20.3432	CTL3	51	55	56	57	-0.27	
-55	H12	SLES	1	1.19569	-2.7642	19.8556	HAL3	54	0	0	0	0.09	
-56	H12	SLES	1	2.73937	-1.82757	19.8011	HAL3	54	0	0	0	0.09	
-57	H12	SLES	1	1.19851	-1.00349	20.2576	HAL3	54	0	0	0	0.09	
-58	NA	SLES	1	-3.44974	-6.19108	43.6102	NA	0	0	0	0	1	
-59	S	SLES	1	-5.06533	-3.12802	42.4449	SL	60	61	62	63	1.33	
-60	OS1	SLES	1	-4.19357	-4.17039	41.4647	OSL	59	64	0	0	-0.28	
-61	OS2	SLES	1	-6.12647	-3.91596	43.037	O2L	59	0	0	0	-0.65	
-62	OS3	SLES	1	-4.1496	-2.68284	43.4744	O2L	59	0	0	0	-0.65	
-63	OS4	SLES	1	-5.62819	-1.97952	41.7531	O2L	59	0	0	0	-0.65	
-64	C2	SLES	1	-4.35283	-3.78741	40.0335	CC32A	60	65	66	67	-0.11	
-65	H2A	SLES	1	-5.44186	-3.75152	39.7508	HCA2	64	0	0	0	0.09	
-66	H2B	SLES	1	-3.90403	-2.76625	39.8849	HCA2	64	0	0	0	0.09	
-67	C1	SLES	1	-3.59032	-4.85275	39.1118	CC32A	64	68	69	70	-0.01	
-68	H1B	SLES	1	-3.97285	-5.87812	39.3217	HCA2	67	0	0	0	0.09	
-69	H1A	SLES	1	-2.49655	-4.82639	39.3266	HCA2	67	0	0	0	0.09	
-70	O1	SLES	1	-3.677	-4.75784	37.6417	OC30A	67	71	0	0	-0.34	
-71	C2	SLES	1	-4.10626	-3.49061	37.1009	CC32A	70	72	73	74	-0.01	
-72	H2A	SLES	1	-5.11804	-3.38924	37.5401	HCA2	71	0	0	0	0.09	
-73	H2B	SLES	1	-3.42266	-2.77094	37.605	HCA2	71	0	0	0	0.09	
-74	C1	SLES	1	-4.16817	-3.17306	35.5736	CC32A	71	75	76	77	-0.01	
-75	H1B	SLES	1	-5.17495	-3.42935	35.1776	HCA2	74	0	0	0	0.09	
-76	H1A	SLES	1	-3.99033	-2.09018	35.4175	HCA2	74	0	0	0	0.09	
-77	O1	SLES	1	-3.32766	-3.84217	34.5793	OC30A	74	78	0	0	-0.34	
-78	C1	SLES	1	-2.99688	-3.02957	33.3942	CTL2	77	79	80	81	-0.18	
-79	H11	SLES	1	-3.63015	-2.12475	33.4324	HAL2	78	0	0	0	0.09	
-80	H12	SLES	1	-1.94882	-2.73986	33.6154	HAL2	78	0	0	0	0.09	
-81	C2	SLES	1	-3.08155	-3.67559	31.9549	CTL2	78	82	83	84	-0.18	
-82	H21	SLES	1	-3.44303	-4.72427	32.0467	HAL2	81	0	0	0	0.09	
-83	H22	SLES	1	-2.06265	-3.70235	31.5103	HAL2	81	0	0	0	0.09	
-84	C3	SLES	1	-4.06296	-2.86692	30.9744	CTL2	81	85	86	87	-0.18	
-85	H31	SLES	1	-5.0187	-3.42837	30.8763	HAL2	84	0	0	0	0.09	
-86	H32	SLES	1	-4.29268	-1.88111	31.4257	HAL2	84	0	0	0	0.09	
-87	C4	SLES	1	-3.44884	-2.6412	29.5308	CTL2	84	88	89	90	-0.18	
-88	H41	SLES	1	-3.90656	-3.36795	28.8276	HAL2	87	0	0	0	0.09	
-89	H42	SLES	1	-2.35579	-2.83907	29.5641	HAL2	87	0	0	0	0.09	
-90	C5	SLES	1	-3.69123	-1.16218	28.9844	CTL2	87	91	92	93	-0.18	
-91	H51	SLES	1	-4.51085	-0.688925	29.569	HAL2	90	0	0	0	0.09	
-92	H52	SLES	1	-2.76684	-0.561033	29.1427	HAL2	90	0	0	0	0.09	
-93	C6	SLES	1	-4.06955	-1.12694	27.4557	CTL2	90	94	95	96	-0.18	
-94	H61	SLES	1	-5.10631	-1.51201	27.3295	HAL2	93	0	0	0	0.09	
-95	H62	SLES	1	-4.05103	-0.0694451	27.1024	HAL2	93	0	0	0	0.09	
-96	C7	SLES	1	-3.10036	-1.97484	26.5725	CTL2	93	97	98	99	-0.18	
-97	H71	SLES	1	-3.3989	-3.04499	26.6309	HAL2	96	0	0	0	0.09	
-98	H72	SLES	1	-2.06712	-1.88395	26.9756	HAL2	96	0	0	0	0.09	
-99	C8	SLES	1	-3.10388	-1.53178	25.0882	CTL2	96	100	101	102	-0.18	
-100	H81	SLES	1	-4.15738	-1.40408	24.7487	HAL2	99	0	0	0	0.09	
-101	H82	SLES	1	-2.59251	-0.546078	25.0014	HAL2	99	0	0	0	0.09	
-102	C9	SLES	1	-2.39463	-2.55319	24.164	CTL2	99	103	104	105	-0.18	
-103	H91	SLES	1	-2.88792	-3.54566	24.2737	HAL2	102	0	0	0	0.09	
-104	H92	SLES	1	-1.33435	-2.6592	24.4867	HAL2	102	0	0	0	0.09	
-105	C10	SLES	1	-2.42964	-2.13451	22.6751	CTL2	102	106	107	108	-0.18	
-106	H10	SLES	1	-3.49043	-2.05108	22.3457	HAL2	105	0	0	0	0.09	
-107	H10	SLES	1	-1.95633	-1.13224	22.568	HAL2	105	0	0	0	0.09	
-108	C11	SLES	1	-1.69179	-3.14421	21.7564	CTL2	105	109	110	111	-0.18	
-109	H11	SLES	1	-2.17316	-4.14334	21.862	HAL2	108	0	0	0	0.09	
-110	H11	SLES	1	-0.636544	-3.23773	22.1009	HAL2	108	0	0	0	0.09	
-111	C12	SLES	1	-1.69483	-2.74385	20.2583	CTL3	108	112	113	114	-0.27	
-112	H12	SLES	1	-2.18595	-3.53371	19.6482	HAL3	111	0	0	0	0.09	
-113	H12	SLES	1	-0.653139	-2.60947	19.8921	HAL3	111	0	0	0	0.09	
-114	H12	SLES	1	-2.2471	-1.7898	20.1137	HAL3	111	0	0	0	0.09	
-115	NA	SLES	1	-5.70866	1.97152	43.7676	NA	0	0	0	0	1	
-116	S	SLES	1	-7.21223	4.77986	41.978	SL	117	118	119	120	1.33	
-117	OS1	SLES	1	-6.3109	3.56819	41.2521	OSL	116	121	0	0	-0.28	
-118	OS2	SLES	1	-8.31463	4.12255	42.6489	O2L	116	0	0	0	-0.65	
-119	OS3	SLES	1	-6.34112	5.39999	42.9543	O2L	116	0	0	0	-0.65	
-120	OS4	SLES	1	-7.72053	5.7856	41.059	O2L	116	0	0	0	-0.65	
-121	C2	SLES	1	-6.39259	3.6823	39.7687	CC32A	117	122	123	124	-0.11	
-122	H2A	SLES	1	-7.46553	3.67383	39.4282	HCA2	121	0	0	0	0.09	
-123	H2B	SLES	1	-5.91967	4.65519	39.4587	HCA2	121	0	0	0	0.09	
-124	C1	SLES	1	-5.60365	2.45968	39.0989	CC32A	121	125	126	127	-0.01	
-125	H1B	SLES	1	-6.0135	1.49344	39.4733	HCA2	124	0	0	0	0.09	
-126	H1A	SLES	1	-4.52156	2.51679	39.3615	HCA2	124	0	0	0	0.09	
-127	O1	SLES	1	-5.61583	2.28291	37.6338	OC30A	124	128	0	0	-0.34	
-128	C2	SLES	1	-5.99617	3.43213	36.8482	CC32A	127	129	130	131	-0.01	
-129	H2A	SLES	1	-7.02657	3.62036	37.2083	HCA2	128	0	0	0	0.09	
-130	H2B	SLES	1	-5.32621	4.22708	37.2463	HCA2	128	0	0	0	0.09	
-131	C1	SLES	1	-5.977	3.46349	35.2874	CC32A	128	132	133	134	-0.01	
-132	H1B	SLES	1	-6.96717	3.14636	34.8936	HCA2	131	0	0	0	0.09	
-133	H1A	SLES	1	-5.77325	4.49772	34.9447	HCA2	131	0	0	0	0.09	
-134	O1	SLES	1	-5.09983	2.61634	34.4776	OC30A	131	135	0	0	-0.34	
-135	C1	SLES	1	-4.69703	3.19429	33.1824	CTL2	134	136	137	138	-0.18	
-136	H11	SLES	1	-5.31591	4.09546	33.021	HAL2	135	0	0	0	0.09	
-137	H12	SLES	1	-3.65641	3.51176	33.4005	HAL2	135	0	0	0	0.09	
-138	C2	SLES	1	-4.72134	2.29494	31.8836	CTL2	135	139	140	141	-0.18	
-139	H21	SLES	1	-5.10472	1.28389	32.1474	HAL2	138	0	0	0	0.09	
-140	H22	SLES	1	-3.68229	2.179	31.5048	HAL2	138	0	0	0	0.09	
-141	C3	SLES	1	-5.63912	2.91671	30.7219	CTL2	138	142	143	144	-0.18	
-142	H31	SLES	1	-6.59825	2.3541	30.6791	HAL2	141	0	0	0	0.09	
-143	H32	SLES	1	-5.87408	3.97048	30.9721	HAL2	141	0	0	0	0.09	
-144	C4	SLES	1	-4.95055	2.86805	29.2951	CTL2	141	145	146	147	-0.18	
-145	H41	SLES	1	-5.38522	2.02776	28.7145	HAL2	144	0	0	0	0.09	
-146	H42	SLES	1	-3.86402	2.67137	29.4208	HAL2	144	0	0	0	0.09	
-147	C5	SLES	1	-5.14039	4.22298	28.4748	CTL2	144	148	149	150	-0.18	
-148	H51	SLES	1	-5.97977	4.80201	28.9194	HAL2	147	0	0	0	0.09	
-149	H52	SLES	1	-4.21487	4.83592	28.5678	HAL2	147	0	0	0	0.09	
-150	C6	SLES	1	-5.44194	3.979	26.9481	CTL2	147	151	152	153	-0.18	
-151	H61	SLES	1	-6.47759	3.58521	26.8412	HAL2	150	0	0	0	0.09	
-152	H62	SLES	1	-5.38795	4.95319	26.4082	HAL2	150	0	0	0	0.09	
-153	C7	SLES	1	-4.44479	2.97561	26.2869	CTL2	150	154	155	156	-0.18	
-154	H71	SLES	1	-4.76404	1.93682	26.5251	HAL2	153	0	0	0	0.09	
-155	H72	SLES	1	-3.43138	3.13129	26.7194	HAL2	153	0	0	0	0.09	
-156	C8	SLES	1	-4.36731	3.13779	24.7483	CTL2	153	157	158	159	-0.18	
-157	H81	SLES	1	-5.40039	3.20883	24.3371	HAL2	156	0	0	0	0.09	
-158	H82	SLES	1	-3.83557	4.08673	24.5087	HAL2	156	0	0	0	0.09	
-159	C9	SLES	1	-3.63069	1.9583	24.0653	CTL2	156	160	161	162	-0.18	
-160	H91	SLES	1	-4.14562	1.00677	24.3295	HAL2	159	0	0	0	0.09	
-161	H92	SLES	1	-2.58963	1.90541	24.4563	HAL2	159	0	0	0	0.09	
-162	C10	SLES	1	-3.58484	2.09591	22.525	CTL2	159	163	164	165	-0.18	
-163	H10	SLES	1	-4.62645	2.12534	22.1314	HAL2	162	0	0	0	0.09	
-164	H10	SLES	1	-3.08981	3.05766	22.2604	HAL2	162	0	0	0	0.09	
-165	C11	SLES	1	-2.81972	0.928702	21.8467	CTL2	162	166	167	168	-0.18	
-166	H11	SLES	1	-3.32266	-0.0302035	22.1087	HAL2	165	0	0	0	0.09	
-167	H11	SLES	1	-1.78456	0.892162	22.2566	HAL2	165	0	0	0	0.09	
-168	C12	SLES	1	-2.7418	1.04637	20.3024	CTL3	165	169	170	171	-0.27	
-169	H12	SLES	1	-3.2155	0.161446	19.823	HAL3	168	0	0	0	0.09	
-170	H12	SLES	1	-1.68112	1.10306	19.9721	HAL3	168	0	0	0	0.09	
-171	H12	SLES	1	-3.26991	1.96167	19.9568	HAL3	168	0	0	0	0.09	
-172	NA	SLES	1	1.17886	7.56311	43.5143	NA	0	0	0	0	1	
-173	S	SLES	1	-0.563325	10.1665	41.6334	SL	174	175	176	177	1.33	
-174	OS1	SLES	1	0.205037	8.84975	40.9382	OSL	173	178	0	0	-0.28	
-175	OS2	SLES	1	-1.55298	9.62809	42.5434	O2L	173	0	0	0	-0.65	
-176	OS3	SLES	1	0.453617	10.8795	42.3777	O2L	173	0	0	0	-0.65	
-177	OS4	SLES	1	-1.20067	11.0633	40.6827	O2L	173	0	0	0	-0.65	
-178	C2	SLES	1	-0.105381	8.78035	39.4825	CC32A	174	179	180	181	-0.11	
-179	H2A	SLES	1	-1.21823	8.75872	39.3143	HCA2	178	0	0	0	0.09	
-180	H2B	SLES	1	0.320959	9.69381	38.9824	HCA2	178	0	0	0	0.09	
-181	C1	SLES	1	0.560597	7.46281	38.8609	CC32A	178	182	183	184	-0.01	
-182	H1B	SLES	1	0.206622	6.56225	39.4136	HCA2	181	0	0	0	0.09	
-183	H1A	SLES	1	1.67076	7.52274	38.9452	HCA2	181	0	0	0	0.09	
-184	O1	SLES	1	0.319496	7.1053	37.4495	OC30A	181	185	0	0	-0.34	
-185	C2	SLES	1	-0.169632	8.15761	36.5916	CC32A	184	186	187	188	-0.01	
-186	H2A	SLES	1	-1.13007	8.41719	37.0784	HCA2	185	0	0	0	0.09	
-187	H2B	SLES	1	0.560078	8.97746	36.7779	HCA2	185	0	0	0	0.09	
-188	C1	SLES	1	-0.393058	7.99376	35.0552	CC32A	185	189	190	191	-0.01	
-189	H1B	SLES	1	-1.43476	7.6571	34.8614	HCA2	188	0	0	0	0.09	
-190	H1A	SLES	1	-0.237234	8.97131	34.5565	HCA2	188	0	0	0	0.09	
-191	O1	SLES	1	0.341159	7.02879	34.2351	OC30A	188	192	0	0	-0.34	
-192	C1	SLES	1	0.542091	7.4297	32.8305	CTL2	191	193	194	195	-0.18	
-193	H11	SLES	1	-0.0875194	8.32025	32.6525	HAL2	192	0	0	0	0.09	
-194	H12	SLES	1	1.60635	7.74346	32.8444	HAL2	192	0	0	0	0.09	
-195	C2	SLES	1	0.309393	6.37656	31.6759	CTL2	192	196	197	198	-0.18	
-196	H21	SLES	1	-0.0359507	5.41707	32.1219	HAL2	195	0	0	0	0.09	
-197	H22	SLES	1	1.27603	6.18611	31.1603	HAL2	195	0	0	0	0.09	
-198	C3	SLES	1	-0.773068	6.8735	30.599	CTL2	195	199	200	201	-0.18	
-199	H31	SLES	1	-1.73142	6.33624	30.7757	HAL2	198	0	0	0	0.09	
-200	H32	SLES	1	-0.958301	7.95622	30.7461	HAL2	198	0	0	0	0.09	
-201	C4	SLES	1	-0.315031	6.62876	29.1015	CTL2	198	202	203	204	-0.18	
-202	H41	SLES	1	-0.841009	5.73483	28.7061	HAL2	201	0	0	0	0.09	
-203	H42	SLES	1	0.77631	6.41979	29.0832	HAL2	201	0	0	0	0.09	
-204	C5	SLES	1	-0.619813	7.87561	28.1543	CTL2	201	205	206	207	-0.18	
-205	H51	SLES	1	-1.37548	8.52813	28.6448	HAL2	204	0	0	0	0.09	
-206	H52	SLES	1	0.313523	8.46995	28.0255	HAL2	204	0	0	0	0.09	
-207	C6	SLES	1	-1.15684	7.45163	26.7354	CTL2	204	208	209	210	-0.18	
-208	H61	SLES	1	-2.19946	7.0759	26.8395	HAL2	207	0	0	0	0.09	
-209	H62	SLES	1	-1.18006	8.34914	26.074	HAL2	207	0	0	0	0.09	
-210	C7	SLES	1	-0.282211	6.34693	26.0624	CTL2	207	211	212	213	-0.18	
-211	H71	SLES	1	-0.568395	5.35498	26.477	HAL2	210	0	0	0	0.09	
-212	H72	SLES	1	0.787266	6.52766	26.3111	HAL2	210	0	0	0	0.09	
-213	C8	SLES	1	-0.443592	6.31401	24.5221	CTL2	210	214	215	216	-0.18	
-214	H81	SLES	1	-1.52747	6.36134	24.2684	HAL2	213	0	0	0	0.09	
-215	H82	SLES	1	0.0516128	7.2109	24.0851	HAL2	213	0	0	0	0.09	
-216	C9	SLES	1	0.168967	5.03902	23.89	CTL2	213	217	218	219	-0.18	
-217	H91	SLES	1	-0.305827	4.14219	24.3489	HAL2	216	0	0	0	0.09	
-218	H92	SLES	1	1.25772	5.00697	24.1205	HAL2	216	0	0	0	0.09	
-219	C10	SLES	1	-0.0241095	4.98239	22.3561	CTL2	216	220	221	222	-0.18	
-220	H10	SLES	1	-1.114	4.99087	22.1262	HAL2	219	0	0	0	0.09	
-221	H10	SLES	1	0.431033	5.88987	21.8986	HAL2	219	0	0	0	0.09	
-222	C11	SLES	1	0.617411	3.71939	21.7227	CTL2	219	223	224	225	-0.18	
-223	H11	SLES	1	0.154075	2.81464	22.1786	HAL2	222	0	0	0	0.09	
-224	H11	SLES	1	1.7034	3.70606	21.9704	HAL2	222	0	0	0	0.09	
-225	C12	SLES	1	0.45524	3.64161	20.1825	CTL3	222	226	227	228	-0.27	
-226	H12	SLES	1	-0.0938985	2.71706	19.8979	HAL3	225	0	0	0	0.09	
-227	H12	SLES	1	1.45209	3.62784	19.6891	HAL3	225	0	0	0	0.09	
-228	H12	SLES	1	-0.113235	4.52074	19.8082	HAL3	225	0	0	0	0.09	
-229	NA	SLES	1	9.88637	4.83569	42.7897	NA	0	0	0	0	1	
-230	S	SLES	1	7.88235	7.57771	41.4422	SL	231	232	233	234	1.33	
-231	OS1	SLES	1	8.46294	6.29456	40.5346	OSL	230	235	0	0	-0.28	
-232	OS2	SLES	1	7.07555	6.99977	42.497	O2L	230	0	0	0	-0.65	
-233	OS3	SLES	1	9.04471	8.2271	42.0113	O2L	230	0	0	0	-0.65	
-234	OS4	SLES	1	7.09625	8.54168	40.6891	O2L	230	0	0	0	-0.65	
-235	C2	SLES	1	7.87166	6.32031	39.1671	CC32A	231	236	237	238	-0.11	
-236	H2A	SLES	1	6.74727	6.32674	39.2207	HCA2	235	0	0	0	0.09	
-237	H2B	SLES	1	8.21694	7.25612	38.6462	HCA2	235	0	0	0	0.09	
-238	C1	SLES	1	8.36627	5.0334	38.3516	CC32A	235	239	240	241	-0.01	
-239	H1B	SLES	1	8.10258	4.10607	38.9104	HCA2	238	0	0	0	0.09	
-240	H1A	SLES	1	9.47266	5.07042	38.2187	HCA2	238	0	0	0	0.09	
-241	O1	SLES	1	7.84364	4.76779	36.9973	OC30A	238	242	0	0	-0.34	
-242	C2	SLES	1	7.22531	5.87879	36.3147	CC32A	241	243	244	245	-0.01	
-243	H2A	SLES	1	6.38637	6.12291	36.9954	HCA2	242	0	0	0	0.09	
-244	H2B	SLES	1	7.9998	6.67388	36.4004	HCA2	242	0	0	0	0.09	
-245	C1	SLES	1	6.70089	5.81391	34.8456	CC32A	242	246	247	248	-0.01	
-246	H1B	SLES	1	5.63249	5.50641	34.8419	HCA2	245	0	0	0	0.09	
-247	H1A	SLES	1	6.78304	6.81786	34.3831	HCA2	245	0	0	0	0.09	
-248	O1	SLES	1	7.23328	4.89005	33.8427	OC30A	245	249	0	0	-0.34	
-249	C1	SLES	1	7.16628	5.3739	32.4515	CTL2	248	250	251	252	-0.18	
-250	H11	SLES	1	6.5389	6.28361	32.4527	HAL2	249	0	0	0	0.09	
-251	H12	SLES	1	8.22094	5.66931	32.2734	HAL2	249	0	0	0	0.09	
-252	C2	SLES	1	6.68293	4.39806	31.3068	CTL2	249	253	254	255	-0.18	
-253	H21	SLES	1	6.40518	3.41838	31.7562	HAL2	252	0	0	0	0.09	
-254	H22	SLES	1	7.52421	4.22462	30.6006	HAL2	252	0	0	0	0.09	
-255	C3	SLES	1	5.42472	4.97777	30.4949	CTL2	252	256	257	258	-0.18	
-256	H31	SLES	1	4.50501	4.44583	30.8257	HAL2	255	0	0	0	0.09	
-257	H32	SLES	1	5.30192	6.05211	30.7376	HAL2	255	0	0	0	0.09	
-258	C4	SLES	1	5.57367	4.81897	28.9249	CTL2	255	259	260	261	-0.18	
-259	H41	SLES	1	4.9559	3.95966	28.5901	HAL2	258	0	0	0	0.09	
-260	H42	SLES	1	6.63408	4.59429	28.6798	HAL2	258	0	0	0	0.09	
-261	C5	SLES	1	5.12394	6.12672	28.1297	CTL2	258	262	263	264	-0.18	
-262	H51	SLES	1	4.49733	6.7595	28.7963	HAL2	261	0	0	0	0.09	
-263	H52	SLES	1	6.03008	6.71305	27.8539	HAL2	261	0	0	0	0.09	
-264	C6	SLES	1	4.30792	5.79992	26.8225	CTL2	261	265	266	267	-0.18	
-265	H61	SLES	1	3.29587	5.43502	27.1083	HAL2	264	0	0	0	0.09	
-266	H62	SLES	1	4.18049	6.7369	26.2315	HAL2	264	0	0	0	0.09	
-267	C7	SLES	1	5.00288	4.7253	25.9278	CTL2	264	268	269	270	-0.18	
-268	H71	SLES	1	4.77608	3.71425	26.3329	HAL2	267	0	0	0	0.09	
-269	H72	SLES	1	6.10496	4.87334	25.9709	HAL2	267	0	0	0	0.09	
-270	C8	SLES	1	4.54215	4.79034	24.4503	CTL2	267	271	272	273	-0.18	
-271	H81	SLES	1	3.43131	4.87043	24.4184	HAL2	270	0	0	0	0.09	
-272	H82	SLES	1	4.96683	5.70461	23.9766	HAL2	270	0	0	0	0.09	
-273	C9	SLES	1	4.98353	3.54738	23.6376	CTL2	270	274	275	276	-0.18	
-274	H91	SLES	1	4.58315	2.63148	24.1287	HAL2	273	0	0	0	0.09	
-275	H92	SLES	1	6.09501	3.48391	23.6466	HAL2	273	0	0	0	0.09	
-276	C10	SLES	1	4.49231	3.58886	22.1711	CTL2	273	277	278	279	-0.18	
-277	H10	SLES	1	3.37917	3.6288	22.1615	HAL2	276	0	0	0	0.09	
-278	H10	SLES	1	4.87399	4.5156	21.6859	HAL2	276	0	0	0	0.09	
-279	C11	SLES	1	4.96214	2.3575	21.352	CTL2	276	280	281	282	-0.18	
-280	H11	SLES	1	4.57219	1.4337	21.8375	HAL2	279	0	0	0	0.09	
-281	H11	SLES	1	6.07483	2.31167	21.3796	HAL2	279	0	0	0	0.09	
-282	C12	SLES	1	4.49941	2.37777	19.8722	CTL3	279	283	284	285	-0.27	
-283	H12	SLES	1	3.87978	1.48142	19.6486	HAL3	282	0	0	0	0.09	
-284	H12	SLES	1	5.37957	2.37879	19.192	HAL3	282	0	0	0	0.09	
-285	H12	SLES	1	3.89321	3.28727	19.6685	HAL3	282	0	0	0	0.09	
-286	NA	SLES	1	13.4481	-3.75482	41.9181	NA	0	0	0	0	1	
-287	S	SLES	1	11.4363	-0.768159	41.2993	SL	288	289	290	291	1.33	
-288	OS1	SLES	1	11.8984	-1.8603	40.1156	OSL	287	292	0	0	-0.28	
-289	OS2	SLES	1	10.6978	-1.52591	42.2881	O2L	287	0	0	0	-0.65	
-290	OS3	SLES	1	12.662	-0.262467	41.8813	O2L	287	0	0	0	-0.65	
-291	OS4	SLES	1	10.6254	0.337607	40.8155	O2L	287	0	0	0	-0.65	
-292	C2	SLES	1	11.2005	-1.55862	38.8342	CC32A	288	293	294	295	-0.11	
-293	H2A	SLES	1	10.0849	-1.5429	38.9837	HCA2	292	0	0	0	0.09	
-294	H2B	SLES	1	11.5343	-0.545616	38.4755	HCA2	292	0	0	0	0.09	
-295	C1	SLES	1	11.5842	-2.67085	37.7472	CC32A	292	296	297	298	-0.01	
-296	H1B	SLES	1	11.335	-3.68437	38.1376	HCA2	295	0	0	0	0.09	
-297	H1A	SLES	1	12.6769	-2.6282	37.5299	HCA2	295	0	0	0	0.09	
-298	O1	SLES	1	10.9458	-2.65869	36.4167	OC30A	295	299	0	0	-0.34	
-299	C2	SLES	1	10.3126	-1.42541	36.0158	CC32A	298	300	301	302	-0.01	
-300	H2A	SLES	1	9.53978	-1.30361	36.7999	HCA2	299	0	0	0	0.09	
-301	H2B	SLES	1	11.1179	-0.675967	36.1865	HCA2	299	0	0	0	0.09	
-302	C1	SLES	1	9.67003	-1.19405	34.6119	CC32A	299	303	304	305	-0.01	
-303	H1B	SLES	1	8.59499	-1.47607	34.6404	HCA2	302	0	0	0	0.09	
-304	H1A	SLES	1	9.7487	-0.120917	34.3459	HCA2	302	0	0	0	0.09	
-305	O1	SLES	1	10.0886	-1.91443	33.4083	OC30A	302	306	0	0	-0.34	
-306	C1	SLES	1	9.92653	-1.16812	32.1471	CTL2	305	307	308	309	-0.18	
-307	H11	SLES	1	9.33242	-0.265087	32.3767	HAL2	306	0	0	0	0.09	
-308	H12	SLES	1	10.9729	-0.862356	31.9398	HAL2	306	0	0	0	0.09	
-309	C2	SLES	1	9.32008	-1.89399	30.8816	CTL2	306	310	311	312	-0.18	
-310	H21	SLES	1	9.04631	-2.9373	31.1561	HAL2	309	0	0	0	0.09	
-311	H22	SLES	1	10.0956	-1.94156	30.086	HAL2	309	0	0	0	0.09	
-312	C3	SLES	1	8.02108	-1.14532	30.3067	CTL2	309	313	314	315	-0.18	
-313	H31	SLES	1	7.11344	-1.71514	30.6063	HAL2	312	0	0	0	0.09	
-314	H32	SLES	1	7.95459	-0.136723	30.7611	HAL2	312	0	0	0	0.09	
-315	C4	SLES	1	8.03803	-0.998312	28.7286	CTL2	312	316	317	318	-0.18	
-316	H41	SLES	1	7.36665	-1.76506	28.2887	HAL2	315	0	0	0	0.09	
-317	H42	SLES	1	9.06713	-1.18969	28.3553	HAL2	315	0	0	0	0.09	
-318	C5	SLES	1	7.57042	0.446854	28.2411	CTL2	315	319	320	321	-0.18	
-319	H51	SLES	1	7.02113	0.948839	29.068	HAL2	318	0	0	0	0.09	
-320	H52	SLES	1	8.47081	1.05956	28.007	HAL2	318	0	0	0	0.09	
-321	C6	SLES	1	6.64149	0.395008	26.97	CTL2	318	322	323	324	-0.18	
-322	H61	SLES	1	5.64388	-0.000601	27.2655	HAL2	321	0	0	0	0.09	
-323	H62	SLES	1	6.49879	1.43114	26.5833	HAL2	321	0	0	0	0.09	
-324	C7	SLES	1	7.2256	-0.497151	25.8293	CTL2	321	325	326	327	-0.18	
-325	H71	SLES	1	6.99797	-1.56353	26.0502	HAL2	324	0	0	0	0.09	
-326	H72	SLES	1	8.33195	-0.379774	25.8058	HAL2	324	0	0	0	0.09	
-327	C8	SLES	1	6.65019	-0.137851	24.4367	CTL2	324	328	329	330	-0.18	
-328	H81	SLES	1	5.54372	-0.0335032	24.5157	HAL2	327	0	0	0	0.09	
-329	H82	SLES	1	7.06616	0.84346	24.1133	HAL2	327	0	0	0	0.09	
-330	C9	SLES	1	6.98257	-1.20657	23.3654	CTL2	327	331	332	333	-0.18	
-331	H91	SLES	1	6.59215	-2.19328	23.7035	HAL2	330	0	0	0	0.09	
-332	H92	SLES	1	8.0884	-1.29018	23.2672	HAL2	330	0	0	0	0.09	
-333	C10	SLES	1	6.37688	-0.87199	21.9817	CTL2	330	334	335	336	-0.18	
-334	H10	SLES	1	5.26854	-0.81131	22.0749	HAL2	333	0	0	0	0.09	
-335	H10	SLES	1	6.7495	0.124567	21.653	HAL2	333	0	0	0	0.09	
-336	C11	SLES	1	6.73748	-1.9286	20.904	CTL2	333	337	338	339	-0.18	
-337	H11	SLES	1	6.35673	-2.92215	21.2341	HAL2	336	0	0	0	0.09	
-338	H11	SLES	1	7.8466	-1.99853	20.8272	HAL2	336	0	0	0	0.09	
-339	C12	SLES	1	6.15837	-1.61271	19.5006	CTL3	336	340	341	342	-0.27	
-340	H12	SLES	1	5.49282	-2.43739	19.1626	HAL3	339	0	0	0	0.09	
-341	H12	SLES	1	6.9806	-1.49492	18.7608	HAL3	339	0	0	0	0.09	
-342	H12	SLES	1	5.5689	-0.670426	19.5282	HAL3	339	0	0	0	0.09	
-343	NA	SLES	1	9.76064	-12.457	41.2509	NA	0	0	0	0	1	
-344	S	SLES	1	7.8725	-9.33328	41.0844	SL	345	346	347	348	1.33	
-345	OS1	SLES	1	8.41003	-10.187	39.7466	OSL	344	349	0	0	-0.28	
-346	OS2	SLES	1	7.03674	-10.2429	41.8405	O2L	344	0	0	0	-0.65	
-347	OS3	SLES	1	9.05477	-8.99894	41.8506	O2L	344	0	0	0	-0.65	
-348	OS4	SLES	1	7.12917	-8.12402	40.7688	O2L	344	0	0	0	-0.65	
-349	C2	SLES	1	7.82986	-9.61228	38.5002	CC32A	345	350	351	352	-0.11	
-350	H2A	SLES	1	6.70619	-9.58435	38.5614	HCA2	349	0	0	0	0.09	
-351	H2B	SLES	1	8.21435	-8.56173	38.3787	HCA2	349	0	0	0	0.09	
-352	C1	SLES	1	8.28069	-10.5018	37.2467	CC32A	349	353	354	355	-0.01	
-353	H1B	SLES	1	7.9778	-11.5623	37.4059	HCA2	352	0	0	0	0.09	
-354	H1A	SLES	1	9.3886	-10.4583	37.1293	HCA2	352	0	0	0	0.09	
-355	O1	SLES	1	7.7579	-10.2033	35.8993	OC30A	352	356	0	0	-0.34	
-356	C2	SLES	1	7.18734	-8.89216	35.7042	CC32A	355	357	358	359	-0.01	
-357	H2A	SLES	1	6.35354	-8.89844	36.4333	HCA2	356	0	0	0	0.09	
-358	H2B	SLES	1	7.99103	-8.22203	36.0842	HCA2	356	0	0	0	0.09	
-359	C1	SLES	1	6.67124	-8.36427	34.3286	CC32A	356	360	361	362	-0.01	
-360	H1B	SLES	1	5.59192	-8.60562	34.2152	HCA2	359	0	0	0	0.09	
-361	H1A	SLES	1	6.79497	-7.26348	34.2894	HCA2	359	0	0	0	0.09	
-362	O1	SLES	1	7.17502	-8.84823	33.0422	OC30A	359	363	0	0	-0.34	
-363	C1	SLES	1	7.13642	-7.86214	31.9467	CTL2	362	364	365	366	-0.18	
-364	H11	SLES	1	6.54428	-7.00044	32.3045	HAL2	363	0	0	0	0.09	
-365	H12	SLES	1	8.20283	-7.56115	31.8879	HAL2	363	0	0	0	0.09	
-366	C2	SLES	1	6.62424	-8.30062	30.5179	CTL2	363	367	368	369	-0.18	
-367	H21	SLES	1	6.30607	-9.36652	30.556	HAL2	366	0	0	0	0.09	
-368	H22	SLES	1	7.46326	-8.21947	29.7926	HAL2	366	0	0	0	0.09	
-369	C3	SLES	1	5.39488	-7.4048	30.0034	CTL2	366	370	371	372	-0.18	
-370	H31	SLES	1	4.4532	-7.98793	30.1106	HAL2	369	0	0	0	0.09	
-371	H32	SLES	1	5.31153	-6.50395	30.6435	HAL2	369	0	0	0	0.09	
-372	C4	SLES	1	5.54878	-6.95003	28.4929	CTL2	369	373	374	375	-0.18	
-373	H41	SLES	1	4.90099	-7.58904	27.8572	HAL2	372	0	0	0	0.09	
-374	H42	SLES	1	6.60154	-7.10263	28.1713	HAL2	372	0	0	0	0.09	
-375	C5	SLES	1	5.155	-5.42051	28.2686	CTL2	372	376	377	378	-0.18	
-376	H51	SLES	1	4.54833	-5.07123	29.1332	HAL2	375	0	0	0	0.09	
-377	H52	SLES	1	6.08483	-4.80803	28.2334	HAL2	375	0	0	0	0.09	
-378	C6	SLES	1	4.33637	-5.18545	26.9435	CTL2	375	379	380	381	-0.18	
-379	H61	SLES	1	3.30911	-5.59371	27.0744	HAL2	378	0	0	0	0.09	
-380	H62	SLES	1	4.24904	-4.08875	26.7616	HAL2	378	0	0	0	0.09	
-381	C7	SLES	1	4.99607	-5.85634	25.6973	CTL2	378	382	383	384	-0.18	
-382	H71	SLES	1	4.72792	-6.93598	25.682	HAL2	381	0	0	0	0.09	
-383	H72	SLES	1	6.10267	-5.77843	25.7851	HAL2	381	0	0	0	0.09	
-384	C8	SLES	1	4.54864	-5.20787	24.3636	CTL2	381	385	386	387	-0.18	
-385	H81	SLES	1	3.44192	-5.07953	24.3743	HAL2	384	0	0	0	0.09	
-386	H82	SLES	1	5.0113	-4.19842	24.2766	HAL2	384	0	0	0	0.09	
-387	C9	SLES	1	4.94793	-6.05592	23.13	CTL2	384	388	389	390	-0.18	
-388	H91	SLES	1	4.50936	-7.07452	23.2323	HAL2	387	0	0	0	0.09	
-389	H92	SLES	1	6.05608	-6.16013	23.1046	HAL2	387	0	0	0	0.09	
-390	C10	SLES	1	4.46905	-5.43229	21.7977	CTL2	387	391	392	393	-0.18	
-391	H10	SLES	1	3.35835	-5.34947	21.8134	HAL2	390	0	0	0	0.09	
-392	H10	SLES	1	4.8893	-4.40523	21.7051	HAL2	390	0	0	0	0.09	
-393	C11	SLES	1	4.89727	-6.26828	20.5625	CTL2	390	394	395	396	-0.18	
-394	H11	SLES	1	4.46886	-7.29237	20.6564	HAL2	393	0	0	0	0.09	
-395	H11	SLES	1	6.00716	-6.36344	20.561	HAL2	393	0	0	0	0.09	
-396	C12	SLES	1	4.44613	-5.66007	19.2093	CTL3	393	397	398	399	-0.27	
-397	H12	SLES	1	3.7943	-6.37615	18.6618	HAL3	396	0	0	0	0.09	
-398	H12	SLES	1	5.33049	-5.42968	18.5751	HAL3	396	0	0	0	0.09	
-399	H12	SLES	1	3.8766	-4.72023	19.378	HAL3	396	0	0	0	0.09	
-400	NA	SLES	1	1.04409	-16.5187	40.9649	NA	0	0	0	0	1	
-401	S	SLES	1	-0.698472	-13.3155	40.7335	SL	402	403	404	405	1.33	
-402	OS1	SLES	1	0.0745747	-14.0675	39.4512	OSL	401	406	0	0	-0.28	
-403	OS2	SLES	1	-1.68947	-14.2532	41.2195	O2L	401	0	0	0	-0.65	
-404	OS3	SLES	1	0.314921	-13.1018	41.7454	O2L	401	0	0	0	-0.65	
-405	OS4	SLES	1	-1.33512	-12.0524	40.3965	O2L	401	0	0	0	-0.65	
-406	C2	SLES	1	-0.231723	-13.3589	38.1766	CC32A	402	407	408	409	-0.11	
-407	H2A	SLES	1	-1.34406	-13.289	38.0186	HCA2	406	0	0	0	0.09	
-408	H2B	SLES	1	0.194041	-12.3189	38.2349	HCA2	406	0	0	0	0.09	
-409	C1	SLES	1	0.438742	-14.1504	36.956	CC32A	406	410	411	412	-0.01	
-410	H1B	SLES	1	0.0851723	-15.2071	36.9496	HCA2	409	0	0	0	0.09	
-411	H1A	SLES	1	1.54854	-14.1435	37.0631	HCA2	409	0	0	0	0.09	
-412	O1	SLES	1	0.202252	-13.71	35.5675	OC30A	409	413	0	0	-0.34	
-413	C2	SLES	1	-0.286765	-12.3637	35.3918	CC32A	412	414	415	416	-0.01	
-414	H2A	SLES	1	-1.24908	-12.4002	35.939	HCA2	413	0	0	0	0.09	
-415	H2B	SLES	1	0.440693	-11.7651	35.9849	HCA2	413	0	0	0	0.09	
-416	C1	SLES	1	-0.50565	-11.6928	33.9992	CC32A	413	417	418	419	-0.01	
-417	H1B	SLES	1	-1.54611	-11.8771	33.6534	HCA2	416	0	0	0	0.09	
-418	H1A	SLES	1	-0.35054	-10.5992	34.0914	HCA2	416	0	0	0	0.09	
-419	O1	SLES	1	0.232847	-12.08	32.796	OC30A	416	420	0	0	-0.34	
-420	C1	SLES	1	0.436759	-10.9987	31.8147	CTL2	419	421	422	423	-0.18	
-421	H11	SLES	1	-0.194251	-10.1483	32.1308	HAL2	420	0	0	0	0.09	
-422	H12	SLES	1	1.50031	-10.739	31.9956	HAL2	420	0	0	0	0.09	
-423	C2	SLES	1	0.209446	-11.2848	30.2776	CTL2	420	424	425	426	-0.18	
-424	H21	SLES	1	-0.135077	-12.3353	30.1494	HAL2	423	0	0	0	0.09	
-425	H22	SLES	1	1.17789	-11.1743	29.7423	HAL2	423	0	0	0	0.09	
-426	C3	SLES	1	-0.871125	-10.2951	29.6209	CTL2	423	427	428	429	-0.18	
-427	H31	SLES	1	-1.82881	-10.8451	29.4844	HAL2	426	0	0	0	0.09	
-428	H32	SLES	1	-1.05905	-9.45271	30.3161	HAL2	426	0	0	0	0.09	
-429	C4	SLES	1	-0.408486	-9.71321	28.221	CTL2	426	430	431	432	-0.18	
-430	H41	SLES	1	-0.931485	-10.2644	27.4118	HAL2	429	0	0	0	0.09	
-431	H42	SLES	1	0.683342	-9.88071	28.099	HAL2	429	0	0	0	0.09	
-432	C5	SLES	1	-0.713326	-8.15442	28.0726	CTL2	429	433	434	435	-0.18	
-433	H51	SLES	1	-1.47171	-7.85893	28.8308	HAL2	432	0	0	0	0.09	
-434	H52	SLES	1	0.219095	-7.58119	28.2798	HAL2	432	0	0	0	0.09	
-435	C6	SLES	1	-1.24558	-7.76667	26.6416	CTL2	432	436	437	438	-0.18	
-436	H61	SLES	1	-2.28768	-8.14118	26.5283	HAL2	435	0	0	0	0.09	
-437	H62	SLES	1	-1.2689	-6.65535	26.5528	HAL2	435	0	0	0	0.09	
-438	C7	SLES	1	-0.366777	-8.3501	25.4902	CTL2	435	439	440	441	-0.18	
-439	H71	SLES	1	-0.651986	-9.41166	25.3185	HAL2	438	0	0	0	0.09	
-440	H72	SLES	1	0.701632	-8.32733	25.8006	HAL2	438	0	0	0	0.09	
-441	C8	SLES	1	-0.523885	-7.56594	24.1636	CTL2	438	442	443	444	-0.18	
-442	H81	SLES	1	-1.60716	-7.39233	23.9692	HAL2	441	0	0	0	0.09	
-443	H82	SLES	1	-0.029393	-6.57326	24.2669	HAL2	441	0	0	0	0.09	
-444	C9	SLES	1	0.0930999	-8.31575	22.9563	CTL2	441	445	446	447	-0.18	
-445	H91	SLES	1	-0.38104	-9.31993	22.8717	HAL2	444	0	0	0	0.09	
-446	H92	SLES	1	1.18128	-8.4641	23.139	HAL2	444	0	0	0	0.09	
-447	C10	SLES	1	-0.0956706	-7.5551	21.6225	CTL2	444	448	449	450	-0.18	
-448	H10	SLES	1	-1.18494	-7.42706	21.4279	HAL2	447	0	0	0	0.09	
-449	H10	SLES	1	0.358793	-6.5426	21.7138	HAL2	447	0	0	0	0.09	
-450	C11	SLES	1	0.550253	-8.29399	20.4205	CTL2	447	451	452	453	-0.18	
-451	H11	SLES	1	0.0875952	-9.30331	20.3292	HAL2	450	0	0	0	0.09	
-452	H11	SLES	1	1.63559	-8.43556	20.6277	HAL2	450	0	0	0	0.09	
-453	C12	SLES	1	0.392451	-7.54799	19.0703	CTL3	450	454	455	456	-0.27	
-454	H12	SLES	1	-0.153947	-8.18367	18.339	HAL3	453	0	0	0	0.09	
-455	H12	SLES	1	1.39067	-7.29915	18.6472	HAL3	453	0	0	0	0.09	
-456	H12	SLES	1	-0.176865	-6.60385	19.2138	HAL3	453	0	0	0	0.09	
-457	NA	SLES	1	-8.45055	-14.0612	41.0238	NA	0	0	0	0	1	
-458	S	SLES	1	-9.96544	-10.8262	40.2554	SL	459	460	461	462	1.33	
-459	OS1	SLES	1	-8.96854	-11.6767	39.2112	OSL	458	463	0	0	-0.28	
-460	OS2	SLES	1	-11.0764	-11.7026	40.5637	O2L	458	0	0	0	-0.65	
-461	OS3	SLES	1	-9.18395	-10.5832	41.4499	O2L	458	0	0	0	-0.65	
-462	OS4	SLES	1	-10.4609	-9.56679	39.7236	O2L	458	0	0	0	-0.65	
-463	C2	SLES	1	-8.96456	-11.0367	37.8655	CC32A	459	464	465	466	-0.11	
-464	H2A	SLES	1	-10.0133	-10.9427	37.4674	HCA2	463	0	0	0	0.09	
-465	H2B	SLES	1	-8.51731	-10.0085	37.9603	HCA2	463	0	0	0	0.09	
-466	C1	SLES	1	-8.08266	-11.9198	36.8614	CC32A	463	467	468	469	-0.01	
-467	H1B	SLES	1	-8.47124	-12.9638	36.8336	HCA2	466	0	0	0	0.09	
-468	H1A	SLES	1	-7.02222	-11.9402	37.2052	HCA2	466	0	0	0	0.09	
-469	O1	SLES	1	-7.99756	-11.5564	35.4336	OC30A	466	470	0	0	-0.34	
-470	C2	SLES	1	-8.37995	-10.2088	35.0867	CC32A	469	471	472	473	-0.01	
-471	H2A	SLES	1	-9.43775	-10.1832	35.4142	HCA2	470	0	0	0	0.09	
-472	H2B	SLES	1	-7.77152	-9.59806	35.7912	HCA2	470	0	0	0	0.09	
-473	C1	SLES	1	-8.267	-9.61613	33.6468	CC32A	470	474	475	476	-0.01	
-474	H1B	SLES	1	-9.21622	-9.78909	33.0944	HCA2	473	0	0	0	0.09	
-475	H1A	SLES	1	-8.08888	-8.52414	33.7135	HCA2	473	0	0	0	0.09	
-476	O1	SLES	1	-7.30526	-10.0969	32.6535	OC30A	473	477	0	0	-0.34	
-477	C1	SLES	1	-6.85027	-9.08286	31.6845	CTL2	476	478	479	480	-0.18	
-478	H11	SLES	1	-7.49759	-8.19639	31.8123	HAL2	477	0	0	0	0.09	
-479	H12	SLES	1	-5.84004	-8.84525	32.0773	HAL2	477	0	0	0	0.09	
-480	C2	SLES	1	-6.7553	-9.45344	30.1516	CTL2	477	481	482	483	-0.18	
-481	H21	SLES	1	-7.10874	-10.4989	30.0067	HAL2	480	0	0	0	0.09	
-482	H22	SLES	1	-5.69094	-9.40465	29.8333	HAL2	480	0	0	0	0.09	
-483	C3	SLES	1	-7.62721	-8.47248	29.2264	CTL2	480	484	485	486	-0.18	
-484	H31	SLES	1	-8.55598	-9.00035	28.915	HAL2	483	0	0	0	0.09	
-485	H32	SLES	1	-7.92359	-7.58471	29.8199	HAL2	483	0	0	0	0.09	
-486	C4	SLES	1	-6.85138	-7.98975	27.9313	CTL2	483	487	488	489	-0.18	
-487	H41	SLES	1	-7.21204	-8.57232	27.058	HAL2	486	0	0	0	0.09	
-488	H42	SLES	1	-5.76687	-8.1973	28.057	HAL2	486	0	0	0	0.09	
-489	C5	SLES	1	-7.05085	-6.43412	27.6398	CTL2	486	490	491	492	-0.18	
-490	H51	SLES	1	-7.94068	-6.0709	28.1999	HAL2	489	0	0	0	0.09	
-491	H52	SLES	1	-6.16088	-5.87806	28.0136	HAL2	489	0	0	0	0.09	
-492	C6	SLES	1	-7.24753	-6.11675	26.1095	CTL2	489	493	494	495	-0.18	
-493	H61	SLES	1	-8.25621	-6.46558	25.7933	HAL2	492	0	0	0	0.09	
-494	H62	SLES	1	-7.20405	-5.01254	25.9602	HAL2	492	0	0	0	0.09	
-495	C7	SLES	1	-6.1683	-6.79444	25.2071	CTL2	492	496	497	498	-0.18	
-496	H71	SLES	1	-6.455	-7.85523	25.0331	HAL2	495	0	0	0	0.09	
-497	H72	SLES	1	-5.19109	-6.78555	25.7394	HAL2	495	0	0	0	0.09	
-498	C8	SLES	1	-6.00436	-6.08668	23.839	CTL2	495	499	500	501	-0.18	
-499	H81	SLES	1	-7.01256	-5.89224	23.4064	HAL2	498	0	0	0	0.09	
-500	H82	SLES	1	-5.5017	-5.10505	23.995	HAL2	498	0	0	0	0.09	
-501	C9	SLES	1	-5.17574	-6.92578	22.8342	CTL2	498	502	503	504	-0.18	
-502	H91	SLES	1	-5.66303	-7.91838	22.7014	HAL2	501	0	0	0	0.09	
-503	H92	SLES	1	-4.15917	-7.09587	23.2551	HAL2	501	0	0	0	0.09	
-504	C10	SLES	1	-5.04216	-6.24095	21.4534	CTL2	501	505	506	507	-0.18	
-505	H10	SLES	1	-6.05809	-6.09181	21.0216	HAL2	504	0	0	0	0.09	
-506	H10	SLES	1	-4.57514	-5.23906	21.588	HAL2	504	0	0	0	0.09	
-507	C11	SLES	1	-4.18596	-7.06972	20.4594	CTL2	504	508	509	510	-0.18	
-508	H11	SLES	1	-4.66083	-8.06819	20.3228	HAL2	507	0	0	0	0.09	
-509	H11	SLES	1	-3.17714	-7.23149	20.9033	HAL2	507	0	0	0	0.09	
-510	C12	SLES	1	-4.01927	-6.40142	19.0701	CTL3	507	511	512	513	-0.27	
-511	H12	SLES	1	-4.42303	-7.06287	18.2721	HAL3	510	0	0	0	0.09	
-512	H12	SLES	1	-2.94398	-6.20875	18.8604	HAL3	510	0	0	0	0.09	
-513	H12	SLES	1	-4.56546	-5.43355	19.038	HAL3	510	0	0	0	0.09	
-514	NA	SLES	1	-14.6026	-6.15921	41.2421	NA	0	0	0	0	1	
-515	S	SLES	1	-15.8297	-3.07695	39.711	SL	516	517	518	519	1.33	
-516	OS1	SLES	1	-14.7475	-4.12938	38.9841	OSL	515	520	0	0	-0.28	
-517	OS2	SLES	1	-17.0163	-3.85238	40.0083	O2L	515	0	0	0	-0.65	
-518	OS3	SLES	1	-15.204	-2.64289	40.9425	O2L	515	0	0	0	-0.65	
-519	OS4	SLES	1	-16.183	-1.92171	38.9016	O2L	515	0	0	0	-0.65	
-520	C2	SLES	1	-14.5295	-3.74422	37.5612	CC32A	516	521	522	523	-0.11	
-521	H2A	SLES	1	-15.509	-3.69536	37.0086	HCA2	520	0	0	0	0.09	
-522	H2B	SLES	1	-14.046	-2.72843	37.5362	HCA2	520	0	0	0	0.09	
-523	C1	SLES	1	-13.5681	-4.81833	36.8628	CC32A	520	524	525	526	-0.01	
-524	H1B	SLES	1	-14.0034	-5.83914	36.9641	HCA2	523	0	0	0	0.09	
-525	H1A	SLES	1	-12.5659	-4.80499	37.3513	HCA2	523	0	0	0	0.09	
-526	O1	SLES	1	-13.2733	-4.72208	35.42	OC30A	523	527	0	0	-0.34	
-527	C2	SLES	1	-13.5348	-3.44973	34.7912	CC32A	526	528	529	530	-0.01	
-528	H2A	SLES	1	-14.6242	-3.33646	34.9562	HCA2	527	0	0	0	0.09	
-529	H2B	SLES	1	-12.9954	-2.73832	35.4563	HCA2	527	0	0	0	0.09	
-530	C1	SLES	1	-13.1988	-3.13113	33.3003	CC32A	527	531	532	533	-0.01	
-531	H1B	SLES	1	-14.073	-3.37538	32.6583	HCA2	530	0	0	0	0.09	
-532	H1A	SLES	1	-12.9745	-2.05041	33.1986	HCA2	530	0	0	0	0.09	
-533	O1	SLES	1	-12.1389	-3.80995	32.5529	OC30A	530	534	0	0	-0.34	
-534	C1	SLES	1	-11.5057	-3.00107	31.4952	CTL2	533	535	536	537	-0.18	
-535	H11	SLES	1	-12.1171	-2.08882	31.3724	HAL2	534	0	0	0	0.09	
-536	H12	SLES	1	-10.5463	-2.72386	31.979	HAL2	534	0	0	0	0.09	
-537	C2	SLES	1	-11.2253	-3.64573	30.0803	CTL2	534	538	539	540	-0.18	
-538	H21	SLES	1	-11.6101	-4.69007	30.0728	HAL2	537	0	0	0	0.09	
-539	H22	SLES	1	-10.1267	-3.68447	29.9121	HAL2	537	0	0	0	0.09	
-540	C3	SLES	1	-11.9127	-2.82526	28.8833	CTL2	537	541	542	543	-0.18	
-541	H31	SLES	1	-12.8175	-3.37532	28.5413	HAL2	540	0	0	0	0.09	
-542	H32	SLES	1	-12.2393	-1.8369	29.2637	HAL2	540	0	0	0	0.09	
-543	C4	SLES	1	-10.9459	-2.60653	27.6465	CTL2	540	544	545	546	-0.18	
-544	H41	SLES	1	-11.216	-3.32764	26.847	HAL2	543	0	0	0	0.09	
-545	H42	SLES	1	-9.90044	-2.81736	27.9588	HAL2	543	0	0	0	0.09	
-546	C5	SLES	1	-11.023	-1.12462	27.061	CTL2	543	547	548	549	-0.18	
-547	H51	SLES	1	-11.9598	-0.641804	27.4171	HAL2	546	0	0	0	0.09	
-548	H52	SLES	1	-10.1635	-0.534514	27.4533	HAL2	546	0	0	0	0.09	
-549	C6	SLES	1	-10.9957	-1.08457	25.4865	CTL2	546	550	551	552	-0.18	
-550	H61	SLES	1	-11.9696	-1.45728	25.0972	HAL2	549	0	0	0	0.09	
-551	H62	SLES	1	-10.875	-0.0272857	25.1533	HAL2	549	0	0	0	0.09	
-552	C7	SLES	1	-9.84195	-1.94371	24.8791	CTL2	549	553	554	555	-0.18	
-553	H71	SLES	1	-10.1577	-3.01025	24.8554	HAL2	552	0	0	0	0.09	
-554	H72	SLES	1	-8.9459	-1.86517	25.5343	HAL2	552	0	0	0	0.09	
-555	C8	SLES	1	-9.45915	-1.50031	23.445	CTL2	552	556	557	558	-0.18	
-556	H81	SLES	1	-10.3886	-1.36005	22.8469	HAL2	555	0	0	0	0.09	
-557	H82	SLES	1	-8.93145	-0.520727	23.4957	HAL2	555	0	0	0	0.09	
-558	C9	SLES	1	-8.54809	-2.52986	22.7307	CTL2	555	559	560	561	-0.18	
-559	H91	SLES	1	-9.06427	-3.51643	22.7067	HAL2	558	0	0	0	0.09	
-560	H92	SLES	1	-7.60749	-2.64852	23.3144	HAL2	558	0	0	0	0.09	
-561	C10	SLES	1	-8.19483	-2.11047	21.2841	CTL2	558	562	563	564	-0.18	
-562	H10	SLES	1	-9.13443	-2.01439	20.6936	HAL2	561	0	0	0	0.09	
-563	H10	SLES	1	-7.69848	-1.11387	21.3053	HAL2	561	0	0	0	0.09	
-564	C11	SLES	1	-7.25738	-3.12866	20.5823	CTL2	561	565	566	567	-0.18	
-565	H11	SLES	1	-7.76108	-4.12203	20.5575	HAL2	564	0	0	0	0.09	
-566	H11	SLES	1	-6.3271	-3.23476	21.1858	HAL2	564	0	0	0	0.09	
-567	C12	SLES	1	-6.87108	-2.72796	19.135	CTL3	564	568	569	570	-0.27	
-568	H12	SLES	1	-7.19803	-3.5118	18.4166	HAL3	567	0	0	0	0.09	
-569	H12	SLES	1	-5.7688	-2.60587	19.0489	HAL3	567	0	0	0	0.09	
-570	H12	SLES	1	-7.35677	-1.7674	18.8565	HAL3	567	0	0	0	0.09	
-571	NA	SLES	1	-14.9235	4.0506	41.388	NA	0	0	0	0	1	
-572	S	SLES	1	-16.0123	6.75032	39.1797	SL	573	574	575	576	1.33	
-573	OS1	SLES	1	-14.9759	5.51493	38.7247	OSL	572	577	0	0	-0.28	
-574	OS2	SLES	1	-17.2321	6.11411	39.6324	O2L	572	0	0	0	-0.65	
-575	OS3	SLES	1	-15.3702	7.42756	40.2868	O2L	572	0	0	0	-0.65	
-576	OS4	SLES	1	-16.3134	7.70386	38.124	O2L	572	0	0	0	-0.65	
-577	C2	SLES	1	-14.7391	5.55518	37.2541	CC32A	573	578	579	580	-0.11	
-578	H2A	SLES	1	-15.7146	5.51771	36.6936	HCA2	577	0	0	0	0.09	
-579	H2B	SLES	1	-14.2116	6.51706	37.0035	HCA2	577	0	0	0	0.09	
-580	C1	SLES	1	-13.8244	4.31032	36.8304	CC32A	577	581	582	583	-0.01	
-581	H1B	SLES	1	-14.304	3.35896	37.157	HCA2	580	0	0	0	0.09	
-582	H1A	SLES	1	-12.8234	4.39265	37.3145	HCA2	580	0	0	0	0.09	
-583	O1	SLES	1	-13.5234	4.06176	35.4072	OC30A	580	584	0	0	-0.34	
-584	C2	SLES	1	-13.728	5.16661	34.5017	CC32A	583	585	586	587	-0.01	
-585	H2A	SLES	1	-14.8117	5.36044	34.6239	HCA2	584	0	0	0	0.09	
-586	H2B	SLES	1	-13.1591	5.98778	34.993	HCA2	584	0	0	0	0.09	
-587	C1	SLES	1	-13.3761	5.12158	32.9814	CC32A	584	588	589	590	-0.01	
-588	H1B	SLES	1	-14.2591	4.77418	32.402	HCA2	587	0	0	0	0.09	
-589	H1A	SLES	1	-13.1046	6.14002	32.6383	HCA2	587	0	0	0	0.09	
-590	O1	SLES	1	-12.3456	4.24585	32.421	OC30A	587	591	0	0	-0.34	
-591	C1	SLES	1	-11.676	4.76415	31.2139	CTL2	590	592	593	594	-0.18	
-592	H11	SLES	1	-12.2468	5.64915	30.8791	HAL2	591	0	0	0	0.09	
-593	H12	SLES	1	-10.7062	5.10386	31.6327	HAL2	591	0	0	0	0.09	
-594	C2	SLES	1	-11.4218	3.80195	29.9868	CTL2	591	595	596	597	-0.18	
-595	H21	SLES	1	-11.8519	2.80073	30.2135	HAL2	594	0	0	0	0.09	
-596	H22	SLES	1	-10.3257	3.6795	29.8446	HAL2	594	0	0	0	0.09	
-597	C3	SLES	1	-12.0708	4.35541	28.6264	CTL2	594	598	599	600	-0.18	
-598	H31	SLES	1	-12.9983	3.7804	28.4085	HAL2	597	0	0	0	0.09	
-599	H32	SLES	1	-12.3545	5.41741	28.7673	HAL2	597	0	0	0	0.09	
-600	C4	SLES	1	-11.0934	4.24471	27.3835	CTL2	597	601	602	603	-0.18	
-601	H41	SLES	1	-11.3935	3.37202	26.7666	HAL2	600	0	0	0	0.09	
-602	H42	SLES	1	-10.0586	4.06692	27.7477	HAL2	600	0	0	0	0.09	
-603	C5	SLES	1	-11.1048	5.5555	26.4744	CTL2	600	604	605	606	-0.18	
-604	H51	SLES	1	-12.0201	6.14598	26.7	HAL2	603	0	0	0	0.09	
-605	H52	SLES	1	-10.2209	6.18285	26.7315	HAL2	603	0	0	0	0.09	
-606	C6	SLES	1	-11.0732	5.23348	24.9327	CTL2	603	607	608	609	-0.18	
-607	H61	SLES	1	-12.0618	4.82305	24.6275	HAL2	606	0	0	0	0.09	
-608	H62	SLES	1	-10.9059	6.18056	24.3684	HAL2	606	0	0	0	0.09	
-609	C7	SLES	1	-9.95712	4.21036	24.5507	CTL2	606	610	611	612	-0.18	
-610	H71	SLES	1	-10.3191	3.18092	24.7674	HAL2	609	0	0	0	0.09	
-611	H72	SLES	1	-9.05954	4.3987	25.181	HAL2	609	0	0	0	0.09	
-612	C8	SLES	1	-9.55303	4.29775	23.0579	CTL2	609	613	614	615	-0.18	
-613	H81	SLES	1	-10.4745	4.33667	22.4328	HAL2	612	0	0	0	0.09	
-614	H82	SLES	1	-8.98311	5.23984	22.8897	HAL2	612	0	0	0	0.09	
-615	C9	SLES	1	-8.68669	3.09471	22.6079	CTL2	612	616	617	618	-0.18	
-616	H91	SLES	1	-9.24545	2.15144	22.8038	HAL2	615	0	0	0	0.09	
-617	H92	SLES	1	-7.7531	3.07302	23.2141	HAL2	615	0	0	0	0.09	
-618	C10	SLES	1	-8.31313	3.15711	21.1079	CTL2	615	619	620	621	-0.18	
-619	H10	SLES	1	-9.2467	3.15524	20.5003	HAL2	618	0	0	0	0.09	
-620	H10	SLES	1	-7.77374	4.11035	20.9069	HAL2	618	0	0	0	0.09	
-621	C11	SLES	1	-7.41995	1.96689	20.668	CTL2	618	622	623	624	-0.18	
-622	H11	SLES	1	-7.96654	1.01628	20.8647	HAL2	621	0	0	0	0.09	
-623	H11	SLES	1	-6.49616	1.96239	21.2905	HAL2	621	0	0	0	0.09	
-624	C12	SLES	1	-7.01421	2.00955	19.1719	CTL3	621	625	626	627	-0.27	
-625	H12	SLES	1	-7.37395	1.09679	18.6477	HAL3	624	0	0	0	0.09	
-626	H12	SLES	1	-5.90751	2.06214	19.073	HAL3	624	0	0	0	0.09	
-627	H12	SLES	1	-7.45702	2.90067	18.676	HAL3	624	0	0	0	0.09	
-628	NA	SLES	1	-9.25791	12.7554	41.2756	NA	0	0	0	0	1	
-629	S	SLES	1	-10.5336	15.042	38.7272	SL	630	631	632	633	1.33	
-630	OS1	SLES	1	-9.60757	13.6839	38.4023	OSL	629	634	0	0	-0.28	
-631	OS2	SLES	1	-11.7047	14.5765	39.4409	O2L	629	0	0	0	-0.65	
-632	OS3	SLES	1	-9.7303	15.8797	39.5929	O2L	629	0	0	0	-0.65	
-633	OS4	SLES	1	-10.9375	15.792	37.5487	O2L	629	0	0	0	-0.65	
-634	C2	SLES	1	-9.56316	13.4283	36.935	CC32A	630	635	636	637	-0.11	
-635	H2A	SLES	1	-10.6041	13.3415	36.5154	HCA2	634	0	0	0	0.09	
-636	H2B	SLES	1	-9.04073	14.292	36.4377	HCA2	634	0	0	0	0.09	
-637	C1	SLES	1	-8.75398	12.0741	36.6573	CC32A	634	638	639	640	-0.01	
-638	H1B	SLES	1	-9.21874	11.2325	37.2207	HCA2	637	0	0	0	0.09	
-639	H1A	SLES	1	-7.69621	12.1888	36.9907	HCA2	637	0	0	0	0.09	
-640	O1	SLES	1	-8.64951	11.5408	35.2852	OC30A	637	641	0	0	-0.34	
-641	C2	SLES	1	-8.93309	12.4622	34.2113	CC32A	640	642	643	644	-0.01	
-642	H2A	SLES	1	-9.98444	12.7388	34.4234	HCA2	641	0	0	0	0.09	
-643	H2B	SLES	1	-8.27767	13.3274	34.4585	HCA2	641	0	0	0	0.09	
-644	C1	SLES	1	-8.78398	12.1068	32.6985	CC32A	641	645	646	647	-0.01	
-645	H1B	SLES	1	-9.74617	11.7072	32.3104	HCA2	644	0	0	0	0.09	
-646	H1A	SLES	1	-8.52538	13.0232	32.1311	HCA2	644	0	0	0	0.09	
-647	O1	SLES	1	-7.86542	11.0813	32.2009	OC30A	644	648	0	0	-0.34	
-648	C1	SLES	1	-7.3417	11.3192	30.8433	CTL2	647	649	650	651	-0.18	
-649	H11	SLES	1	-7.92114	12.1557	30.4124	HAL2	648	0	0	0	0.09	
-650	H12	SLES	1	-6.3147	11.6754	31.0662	HAL2	648	0	0	0	0.09	
-651	C2	SLES	1	-7.28212	10.1269	29.8084	CTL2	648	652	653	654	-0.18	
-652	H21	SLES	1	-7.71253	9.21441	30.2783	HAL2	651	0	0	0	0.09	
-653	H22	SLES	1	-6.21869	9.91566	29.5612	HAL2	651	0	0	0	0.09	
-654	C3	SLES	1	-8.08389	10.447	28.4544	CTL2	651	655	656	657	-0.18	
-655	H31	SLES	1	-9.05067	9.89617	28.4682	HAL2	654	0	0	0	0.09	
-656	H32	SLES	1	-8.31089	11.5311	28.4166	HAL2	654	0	0	0	0.09	
-657	C4	SLES	1	-7.2811	10.0437	27.1486	CTL2	654	658	659	660	-0.18	
-658	H41	SLES	1	-7.68821	9.08827	26.7569	HAL2	657	0	0	0	0.09	
-659	H42	SLES	1	-6.21426	9.87868	27.4125	HAL2	657	0	0	0	0.09	
-660	C5	SLES	1	-7.36662	11.1549	26.0072	CTL2	657	661	662	663	-0.18	
-661	H51	SLES	1	-8.22435	11.8301	26.2213	HAL2	660	0	0	0	0.09	
-662	H52	SLES	1	-6.43613	11.7671	26.0265	HAL2	660	0	0	0	0.09	
-663	C6	SLES	1	-7.54708	10.5427	24.567	CTL2	660	664	665	666	-0.18	
-664	H61	SLES	1	-8.58035	10.14	24.4708	HAL2	663	0	0	0	0.09	
-665	H62	SLES	1	-7.42294	11.353	23.811	HAL2	663	0	0	0	0.09	
-666	C7	SLES	1	-6.52542	9.40199	24.2617	CTL2	663	667	668	669	-0.18	
-667	H71	SLES	1	-6.89055	8.45593	24.7193	HAL2	666	0	0	0	0.09	
-668	H72	SLES	1	-5.54754	9.65456	24.7289	HAL2	666	0	0	0	0.09	
-669	C8	SLES	1	-6.3166	9.17853	22.7432	CTL2	666	670	671	672	-0.18	
-670	H81	SLES	1	-7.30987	9.15101	22.2391	HAL2	669	0	0	0	0.09	
-671	H82	SLES	1	-5.74204	10.0361	22.3248	HAL2	669	0	0	0	0.09	
-672	C9	SLES	1	-5.55731	7.86309	22.4375	CTL2	669	673	674	675	-0.18	
-673	H91	SLES	1	-6.11724	7.009	22.8818	HAL2	672	0	0	0	0.09	
-674	H92	SLES	1	-4.55396	7.90317	22.9183	HAL2	672	0	0	0	0.09	
-675	C10	SLES	1	-5.38052	7.61557	20.9207	CTL2	672	676	677	678	-0.18	
-676	H10	SLES	1	-6.38483	7.55212	20.4431	HAL2	675	0	0	0	0.09	
-677	H10	SLES	1	-4.84012	8.47957	20.4718	HAL2	675	0	0	0	0.09	
-678	C11	SLES	1	-4.5929	6.31304	20.6189	CTL2	675	679	680	681	-0.18	
-679	H11	SLES	1	-5.1409	5.45121	21.064	HAL2	678	0	0	0	0.09	
-680	H11	SLES	1	-3.59654	6.37365	21.1134	HAL2	678	0	0	0	0.09	
-681	C12	SLES	1	-4.38436	6.04505	19.1059	CTL3	678	682	683	684	-0.27	
-682	H12	SLES	1	-4.8399	5.07152	18.8194	HAL3	681	0	0	0	0.09	
-683	H12	SLES	1	-3.29885	6.01295	18.8651	HAL3	681	0	0	0	0.09	
-684	H12	SLES	1	-4.85774	6.84922	18.5015	HAL3	681	0	0	0	0.09	
-685	NA	SLES	1	0.404653	16.9	40.8204	NA	0	0	0	0	1	
-686	S	SLES	1	-1.30273	19.0229	38.3855	SL	687	688	689	690	1.33	
-687	OS1	SLES	1	-0.522559	17.5887	38.0087	OSL	686	691	0	0	-0.28	
-688	OS2	SLES	1	-2.30867	18.693	39.3738	O2L	686	0	0	0	-0.65	
-689	OS3	SLES	1	-0.298977	19.885	38.9735	O2L	686	0	0	0	-0.65	
-690	OS4	SLES	1	-1.92267	19.6878	37.2506	O2L	686	0	0	0	-0.65	
-691	C2	SLES	1	-0.806966	17.2016	36.5982	CC32A	687	692	693	694	-0.11	
-692	H2A	SLES	1	-1.91664	17.1397	36.4194	HCA2	691	0	0	0	0.09	
-693	H2B	SLES	1	-0.371436	17.9851	35.918	HCA2	691	0	0	0	0.09	
-694	C1	SLES	1	-0.130477	15.7824	36.2915	CC32A	691	695	696	697	-0.01	
-695	H1B	SLES	1	-0.494589	15.0232	37.0215	HCA2	694	0	0	0	0.09	
-696	H1A	SLES	1	0.978023	15.8632	36.3801	HCA2	694	0	0	0	0.09	
-697	O1	SLES	1	-0.346476	15.124	34.9885	OC30A	694	698	0	0	-0.34	
-698	C2	SLES	1	-0.819828	15.9615	33.9128	CC32A	697	699	700	701	-0.01	
-699	H2A	SLES	1	-1.78871	16.3178	34.3142	HCA2	698	0	0	0	0.09	
-700	H2B	SLES	1	-0.0932636	16.8048	33.9281	HCA2	698	0	0	0	0.09	
-701	C1	SLES	1	-1.01585	15.4648	32.4458	CC32A	698	702	703	704	-0.01	
-702	H1B	SLES	1	-2.05406	15.0902	32.3121	HCA2	701	0	0	0	0.09	
-703	H1A	SLES	1	-0.850796	16.3102	31.7481	HCA2	701	0	0	0	0.09	
-704	O1	SLES	1	-0.267464	14.3465	31.8696	OC30A	701	705	0	0	-0.34	
-705	C1	SLES	1	-0.0413455	14.4312	30.415	CTL2	704	706	707	708	-0.18	
-706	H11	SLES	1	-0.667354	15.2591	30.0355	HAL2	705	0	0	0	0.09	
-707	H12	SLES	1	1.02261	14.7442	30.3786	HAL2	705	0	0	0	0.09	
-708	C2	SLES	1	-0.25378	13.1503	29.5149	CTL2	705	709	710	711	-0.18	
-709	H21	SLES	1	-0.607378	12.3103	30.1538	HAL2	708	0	0	0	0.09	
-710	H22	SLES	1	0.721837	12.8551	29.0703	HAL2	708	0	0	0	0.09	
-711	C3	SLES	1	-1.31666	13.3958	28.3366	CTL2	708	712	713	714	-0.18	
-712	H31	SLES	1	-2.27821	12.9068	28.6096	HAL2	711	0	0	0	0.09	
-713	H32	SLES	1	-1.5041	14.4839	28.24	HAL2	711	0	0	0	0.09	
-714	C4	SLES	1	-0.832057	12.8312	26.9371	CTL2	711	715	716	717	-0.18	
-715	H41	SLES	1	-1.35122	11.8705	26.7376	HAL2	714	0	0	0	0.09	
-716	H42	SLES	1	0.259361	12.6271	26.984	HAL2	714	0	0	0	0.09	
-717	C5	SLES	1	-1.11943	13.8396	25.7349	CTL2	714	718	719	720	-0.18	
-718	H51	SLES	1	-1.88349	14.5809	26.0575	HAL2	717	0	0	0	0.09	
-719	H52	SLES	1	-0.183726	14.3947	25.4956	HAL2	717	0	0	0	0.09	
-720	C6	SLES	1	-1.63119	13.1137	24.4339	CTL2	717	721	722	723	-0.18	
-721	H61	SLES	1	-2.67565	12.7661	24.5994	HAL2	720	0	0	0	0.09	
-722	H62	SLES	1	-1.64228	13.8448	23.592	HAL2	720	0	0	0	0.09	
-723	C7	SLES	1	-0.745093	11.8917	24.0342	CTL2	720	724	725	726	-0.18	
-724	H71	SLES	1	-1.03899	11.0134	24.6506	HAL2	723	0	0	0	0.09	
-725	H72	SLES	1	0.319838	12.1262	24.2561	HAL2	723	0	0	0	0.09	
-726	C8	SLES	1	-0.878965	11.5221	22.5358	CTL2	723	727	728	729	-0.18	
-727	H81	SLES	1	-1.95812	11.509	22.259	HAL2	726	0	0	0	0.09	
-728	H82	SLES	1	-0.375712	12.3035	21.922	HAL2	726	0	0	0	0.09	
-729	C9	SLES	1	-0.255684	10.142	22.2088	CTL2	726	730	731	732	-0.18	
-730	H91	SLES	1	-0.73892	9.36553	22.8443	HAL2	729	0	0	0	0.09	
-731	H92	SLES	1	0.828767	10.165	22.4596	HAL2	729	0	0	0	0.09	
-732	C10	SLES	1	-0.421369	9.75059	20.7212	CTL2	729	733	734	735	-0.18	
-733	H10	SLES	1	-1.50698	9.70472	20.476	HAL2	732	0	0	0	0.09	
-734	H10	SLES	1	0.0421989	10.5377	20.0843	HAL2	732	0	0	0	0.09	
-735	C11	SLES	1	0.230897	8.38192	20.3907	CTL2	732	736	737	738	-0.18	
-736	H11	SLES	1	-0.240832	7.59713	21.0253	HAL2	735	0	0	0	0.09	
-737	H11	SLES	1	1.31229	8.42695	20.6543	HAL2	735	0	0	0	0.09	
-738	C12	SLES	1	0.096218	7.96863	18.9022	CTL3	735	739	740	741	-0.27	
-739	H12	SLES	1	-0.448089	7.00228	18.8171	HAL3	738	0	0	0	0.09	
-740	H12	SLES	1	1.10171	7.85084	18.4413	HAL3	738	0	0	0	0.09	
-741	H12	SLES	1	-0.465165	8.74261	18.3348	HAL3	738	0	0	0	0.09	
-742	NA	SLES	1	10.8582	15.1672	40.0517	NA	0	0	0	0	1	
-743	S	SLES	1	8.75279	17.468	38.148	SL	744	745	746	747	1.33	
-744	OS1	SLES	1	9.34158	16.0147	37.5574	OSL	743	748	0	0	-0.28	
-745	OS2	SLES	1	7.98793	17.1465	39.3351	O2L	743	0	0	0	-0.65	
-746	OS3	SLES	1	9.91289	18.256	38.5084	O2L	743	0	0	0	-0.65	
-747	OS4	SLES	1	7.92392	18.2081	37.2101	O2L	743	0	0	0	-0.65	
-748	C2	SLES	1	8.71494	15.7001	36.2426	CC32A	744	749	750	751	-0.11	
-749	H2A	SLES	1	7.59248	15.699	36.3278	HCA2	748	0	0	0	0.09	
-750	H2B	SLES	1	9.02339	16.4891	35.502	HCA2	748	0	0	0	0.09	
-751	C1	SLES	1	9.22027	14.2638	35.745	CC32A	748	752	753	754	-0.01	
-752	H1B	SLES	1	8.99412	13.4936	36.518	HCA2	751	0	0	0	0.09	
-753	H1A	SLES	1	10.3216	14.2876	35.573	HCA2	751	0	0	0	0.09	
-754	O1	SLES	1	8.66981	13.6708	34.5108	OC30A	751	755	0	0	-0.34	
-755	C2	SLES	1	8.00676	14.5736	33.6009	CC32A	754	756	757	758	-0.01	
-756	H2A	SLES	1	7.17976	14.9592	34.2288	HCA2	755	0	0	0	0.09	
-757	H2B	SLES	1	8.76321	15.3797	33.4693	HCA2	755	0	0	0	0.09	
-758	C1	SLES	1	7.44658	14.1477	32.2073	CC32A	755	759	760	761	-0.01	
-759	H1B	SLES	1	6.3864	13.8292	32.3106	HCA2	758	0	0	0	0.09	
-760	H1A	SLES	1	7.49187	15.0121	31.515	HCA2	758	0	0	0	0.09	
-761	O1	SLES	1	7.97584	13.0193	31.4395	OC30A	758	762	0	0	-0.34	
-762	C1	SLES	1	7.86116	13.1529	29.9756	CTL2	761	763	764	765	-0.18	
-763	H11	SLES	1	7.21162	14.0247	29.7778	HAL2	762	0	0	0	0.09	
-764	H12	SLES	1	8.90323	13.4156	29.6994	HAL2	762	0	0	0	0.09	
-765	C2	SLES	1	7.37297	11.9218	29.1141	CTL2	762	766	767	768	-0.18	
-766	H21	SLES	1	7.13126	11.0742	29.7938	HAL2	765	0	0	0	0.09	
-767	H22	SLES	1	8.19989	11.5986	28.4446	HAL2	765	0	0	0	0.09	
-768	C3	SLES	1	6.08032	12.2664	28.226	CTL2	765	769	770	771	-0.18	
-769	H31	SLES	1	5.1829	11.8133	28.7032	HAL2	768	0	0	0	0.09	
-770	H32	SLES	1	5.93715	13.3652	28.2075	HAL2	768	0	0	0	0.09	
-771	C4	SLES	1	6.19283	11.7371	26.7362	CTL2	768	772	773	774	-0.18	
-772	H41	SLES	1	5.5882	10.8116	26.6368	HAL2	771	0	0	0	0.09	
-773	H42	SLES	1	7.25185	11.4791	26.5196	HAL2	771	0	0	0	0.09	
-774	C5	SLES	1	5.69049	12.8068	25.6647	CTL2	771	775	776	777	-0.18	
-775	H51	SLES	1	5.06568	13.5701	26.179	HAL2	774	0	0	0	0.09	
-776	H52	SLES	1	6.57442	13.3257	25.2284	HAL2	774	0	0	0	0.09	
-777	C6	SLES	1	4.84956	12.1605	24.5	CTL2	774	778	779	780	-0.18	
-778	H61	SLES	1	3.85455	11.857	24.8961	HAL2	777	0	0	0	0.09	
-779	H62	SLES	1	4.68378	12.9253	23.7056	HAL2	777	0	0	0	0.09	
-780	C7	SLES	1	5.54781	10.9148	23.8684	CTL2	777	781	782	783	-0.18	
-781	H71	SLES	1	5.35665	10.027	24.5111	HAL2	780	0	0	0	0.09	
-782	H72	SLES	1	6.64661	11.0886	23.8406	HAL2	780	0	0	0	0.09	
-783	C8	SLES	1	5.04783	10.6141	22.4334	CTL2	780	784	785	786	-0.18	
-784	H81	SLES	1	3.93489	10.6642	22.4175	HAL2	783	0	0	0	0.09	
-785	H82	SLES	1	5.43737	11.395	21.7412	HAL2	783	0	0	0	0.09	
-786	C9	SLES	1	5.49894	9.22018	21.9295	CTL2	783	787	788	789	-0.18	
-787	H91	SLES	1	5.13416	8.44235	22.6382	HAL2	786	0	0	0	0.09	
-788	H92	SLES	1	6.61152	9.18069	21.9192	HAL2	786	0	0	0	0.09	
-789	C10	SLES	1	4.96937	8.89874	20.5119	CTL2	786	790	791	792	-0.18	
-790	H10	SLES	1	3.85569	8.91521	20.5273	HAL2	789	0	0	0	0.09	
-791	H10	SLES	1	5.31533	9.68815	19.8068	HAL2	789	0	0	0	0.09	
-792	C11	SLES	1	5.44845	7.51507	19.9982	CTL2	789	793	794	795	-0.18	
-793	H11	SLES	1	5.09415	6.72841	20.703	HAL2	792	0	0	0	0.09	
-794	H11	SLES	1	6.56228	7.4972	20.0016	HAL2	792	0	0	0	0.09	
-795	C12	SLES	1	4.94753	7.17032	18.5717	CTL3	792	796	797	798	-0.27	
-796	H12	SLES	1	4.34482	6.23556	18.5892	HAL3	795	0	0	0	0.09	
-797	H12	SLES	1	5.80964	7.02342	17.8843	HAL3	795	0	0	0	0.09	
-798	H12	SLES	1	4.3139	7.99307	18.1746	HAL3	795	0	0	0	0.09	
-799	NA	SLES	1	18.8954	8.1911	39.089	NA	0	0	0	0	1	
-800	S	SLES	1	16.6475	10.848	37.9762	SL	801	802	803	804	1.33	
-801	OS1	SLES	1	17.0184	9.48346	37.0774	OSL	800	805	0	0	-0.28	
-802	OS2	SLES	1	16.0876	10.3745	39.2252	O2L	800	0	0	0	-0.65	
-803	OS3	SLES	1	17.9053	11.521	38.2244	O2L	800	0	0	0	-0.65	
-804	OS4	SLES	1	15.7172	11.7603	37.3307	O2L	800	0	0	0	-0.65	
-805	C2	SLES	1	16.1457	9.40637	35.8721	CC32A	801	806	807	808	-0.11	
-806	H2A	SLES	1	15.0594	9.43784	36.1657	HCA2	805	0	0	0	0.09	
-807	H2B	SLES	1	16.3703	10.2892	35.2115	HCA2	805	0	0	0	0.09	
-808	C1	SLES	1	16.4525	8.04733	35.0818	CC32A	805	809	810	811	-0.01	
-809	H1B	SLES	1	16.3158	7.1746	35.7611	HCA2	808	0	0	0	0.09	
-810	H1A	SLES	1	17.5041	8.05289	34.7112	HCA2	808	0	0	0	0.09	
-811	O1	SLES	1	15.6497	7.67977	33.8993	OC30A	808	812	0	0	-0.34	
-812	C2	SLES	1	14.8985	8.74137	33.2738	CC32A	811	813	814	815	-0.01	
-813	H2A	SLES	1	14.2264	9.05653	34.0958	HCA2	812	0	0	0	0.09	
-814	H2B	SLES	1	15.6732	9.52651	33.1228	HCA2	812	0	0	0	0.09	
-815	C1	SLES	1	14.0691	8.56432	31.963	CC32A	812	816	817	818	-0.01	
-816	H1B	SLES	1	13.0252	8.27721	32.2155	HCA2	815	0	0	0	0.09	
-817	H1A	SLES	1	14.0494	9.52471	31.4099	HCA2	815	0	0	0	0.09	
-818	O1	SLES	1	14.3724	7.55075	30.9513	OC30A	815	819	0	0	-0.34	
-819	C1	SLES	1	14.0064	7.91852	29.5711	CTL2	818	820	821	822	-0.18	
-820	H11	SLES	1	13.3941	8.83653	29.6299	HAL2	819	0	0	0	0.09	
-821	H12	SLES	1	14.9977	8.17874	29.1458	HAL2	819	0	0	0	0.09	
-822	C2	SLES	1	13.2873	6.85999	28.6446	CTL2	819	823	824	825	-0.18	
-823	H21	SLES	1	13.1132	5.92628	29.2248	HAL2	822	0	0	0	0.09	
-824	H22	SLES	1	13.9562	6.61311	27.7912	HAL2	822	0	0	0	0.09	
-825	C3	SLES	1	11.8834	7.39322	28.0761	CTL2	822	826	827	828	-0.18	
-826	H31	SLES	1	11.0569	6.90755	28.6412	HAL2	825	0	0	0	0.09	
-827	H32	SLES	1	11.8158	8.48608	28.2473	HAL2	825	0	0	0	0.09	
-828	C4	SLES	1	11.6897	7.10186	26.5302	CTL2	825	829	830	831	-0.18	
-829	H41	SLES	1	11.0142	6.22918	26.4106	HAL2	828	0	0	0	0.09	
-830	H42	SLES	1	12.6721	6.83821	26.0826	HAL2	828	0	0	0	0.09	
-831	C5	SLES	1	11.0787	8.34707	25.7422	CTL2	828	832	833	834	-0.18	
-832	H51	SLES	1	10.6109	9.04441	26.4717	HAL2	831	0	0	0	0.09	
-833	H52	SLES	1	11.9039	8.89176	25.229	HAL2	831	0	0	0	0.09	
-834	C6	SLES	1	9.99966	7.92784	24.6739	CTL2	831	835	836	837	-0.18	
-835	H61	SLES	1	9.07324	7.60655	25.2008	HAL2	834	0	0	0	0.09	
-836	H62	SLES	1	9.74753	8.81467	24.0467	HAL2	834	0	0	0	0.09	
-837	C7	SLES	1	10.485	6.77006	23.7453	CTL2	834	838	839	840	-0.18	
-838	H71	SLES	1	10.3511	5.80047	24.2742	HAL2	837	0	0	0	0.09	
-839	H72	SLES	1	11.5704	6.90094	23.5374	HAL2	837	0	0	0	0.09	
-840	C8	SLES	1	9.71601	6.72058	22.4016	CTL2	837	841	842	843	-0.18	
-841	H81	SLES	1	8.62449	6.81809	22.6028	HAL2	840	0	0	0	0.09	
-842	H82	SLES	1	10.0283	7.58442	21.7716	HAL2	840	0	0	0	0.09	
-843	C9	SLES	1	9.97147	5.40653	21.6216	CTL2	840	844	845	846	-0.18	
-844	H91	SLES	1	9.68666	4.54208	22.2634	HAL2	843	0	0	0	0.09	
-845	H92	SLES	1	11.0587	5.32367	21.3966	HAL2	843	0	0	0	0.09	
-846	C10	SLES	1	9.1751	5.33506	20.2972	CTL2	843	847	848	849	-0.18	
-847	H10	SLES	1	8.08615	5.39446	20.524	HAL2	846	0	0	0	0.09	
-848	H10	SLES	1	9.44289	6.21115	19.6641	HAL2	846	0	0	0	0.09	
-849	C11	SLES	1	9.45696	4.03152	19.5039	CTL2	846	850	851	852	-0.18	
-850	H11	SLES	1	9.18112	3.15854	20.1387	HAL2	849	0	0	0	0.09	
-851	H11	SLES	1	10.5493	3.96776	19.2952	HAL2	849	0	0	0	0.09	
-852	C12	SLES	1	8.6855	3.93728	18.1621	CTL3	849	853	854	855	-0.27	
-853	H12	SLES	1	8.03226	3.03696	18.1542	HAL3	852	0	0	0	0.09	
-854	H12	SLES	1	9.39795	3.86567	17.3108	HAL3	852	0	0	0	0.09	
-855	H12	SLES	1	8.04958	4.83767	18.0171	HAL3	852	0	0	0	0.09	
-856	NA	SLES	1	22.2908	-1.92498	38.0985	NA	0	0	0	0	1	
-857	S	SLES	1	20.1503	1.02257	37.8144	SL	858	859	860	861	1.33	
-858	OS1	SLES	1	20.3595	-0.11577	36.6029	OSL	857	862	0	0	-0.28	
-859	OS2	SLES	1	19.6552	0.303069	38.9697	O2L	857	0	0	0	-0.65	
-860	OS3	SLES	1	21.4658	1.5586	38.095	O2L	857	0	0	0	-0.65	
-861	OS4	SLES	1	19.2379	2.10284	37.4753	O2L	857	0	0	0	-0.65	
-862	C2	SLES	1	19.3954	0.128299	35.4933	CC32A	858	863	864	865	-0.11	
-863	H2A	SLES	1	18.3389	0.144441	35.8815	HCA2	862	0	0	0	0.09	
-864	H2B	SLES	1	19.6289	1.12712	35.0305	HCA2	862	0	0	0	0.09	
-865	C1	SLES	1	19.5495	-1.02647	34.3939	CC32A	862	866	867	868	-0.01	
-866	H1B	SLES	1	19.4055	-2.02403	34.8692	HCA2	865	0	0	0	0.09	
-867	H1A	SLES	1	20.5681	-0.987248	33.9424	HCA2	865	0	0	0	0.09	
-868	O1	SLES	1	18.637	-1.0734	33.2349	OC30A	865	869	0	0	-0.34	
-869	C2	SLES	1	17.9144	0.138676	32.9329	CC32A	868	870	871	872	-0.01	
-870	H2A	SLES	1	17.3288	0.289177	33.861	HCA2	869	0	0	0	0.09	
-871	H2B	SLES	1	18.7268	0.898811	32.8942	HCA2	869	0	0	0	0.09	
-872	C1	SLES	1	16.9787	0.307652	31.6946	CC32A	869	873	874	875	-0.01	
-873	H1B	SLES	1	15.9397	0.0214639	31.9677	HCA2	872	0	0	0	0.09	
-874	H1A	SLES	1	16.9824	1.3691	31.3754	HCA2	872	0	0	0	0.09	
-875	O1	SLES	1	17.1359	-0.46032	30.4584	OC30A	872	876	0	0	-0.34	
-876	C1	SLES	1	16.6929	0.23164	29.234	CTL2	875	877	878	879	-0.18	
-877	H11	SLES	1	16.1501	1.14038	29.5515	HAL2	876	0	0	0	0.09	
-878	H12	SLES	1	17.6647	0.533911	28.7919	HAL2	876	0	0	0	0.09	
-879	C2	SLES	1	15.8362	-0.549778	28.1608	CTL2	876	880	881	882	-0.18	
-880	H21	SLES	1	15.6436	-1.58209	28.5296	HAL2	879	0	0	0	0.09	
-881	H22	SLES	1	16.4209	-0.626584	27.218	HAL2	879	0	0	0	0.09	
-882	C3	SLES	1	14.4328	0.167352	27.8533	CTL2	879	883	884	885	-0.18	
-883	H31	SLES	1	13.6202	-0.394156	28.3659	HAL2	882	0	0	0	0.09	
-884	H32	SLES	1	14.4524	1.19374	28.2709	HAL2	882	0	0	0	0.09	
-885	C4	SLES	1	14.1042	0.248201	26.3049	CTL2	882	886	887	888	-0.18	
-886	H41	SLES	1	13.3643	-0.539802	26.0526	HAL2	885	0	0	0	0.09	
-887	H42	SLES	1	15.0302	0.0467279	25.7243	HAL2	885	0	0	0	0.09	
-888	C5	SLES	1	13.5213	1.66921	25.8739	CTL2	885	889	890	891	-0.18	
-889	H51	SLES	1	13.1578	2.20252	26.78	HAL2	888	0	0	0	0.09	
-890	H52	SLES	1	14.3405	2.27627	25.4251	HAL2	888	0	0	0	0.09	
-891	C6	SLES	1	12.3391	1.5593	24.8387	CTL2	888	892	893	894	-0.18	
-892	H61	SLES	1	11.4353	1.17121	25.3599	HAL2	891	0	0	0	0.09	
-893	H62	SLES	1	12.1011	2.57757	24.4515	HAL2	891	0	0	0	0.09	
-894	C7	SLES	1	12.6739	0.623201	23.6346	CTL2	891	895	896	897	-0.18	
-895	H71	SLES	1	12.515	-0.434158	23.9419	HAL2	894	0	0	0	0.09	
-896	H72	SLES	1	13.7469	0.745272	23.3661	HAL2	894	0	0	0	0.09	
-897	C8	SLES	1	11.8045	0.920828	22.3875	CTL2	894	898	899	900	-0.18	
-898	H81	SLES	1	10.7403	1.02261	22.7014	HAL2	897	0	0	0	0.09	
-899	H82	SLES	1	12.1262	1.88989	21.9425	HAL2	897	0	0	0	0.09	
-900	C9	SLES	1	11.9112	-0.19008	21.3129	CTL2	897	901	902	903	-0.18	
-901	H91	SLES	1	11.6177	-1.16379	21.7669	HAL2	900	0	0	0	0.09	
-902	H92	SLES	1	12.9703	-0.271956	20.9796	HAL2	900	0	0	0	0.09	
-903	C10	SLES	1	11.0145	0.0830618	20.0822	CTL2	900	904	905	906	-0.18	
-904	H10	SLES	1	9.95222	0.141802	20.4121	HAL2	903	0	0	0	0.09	
-905	H10	SLES	1	11.2926	1.0669	19.6408	HAL2	903	0	0	0	0.09	
-906	C11	SLES	1	11.1472	-1.01587	18.9947	CTL2	903	907	908	909	-0.18	
-907	H11	SLES	1	10.8615	-1.99669	19.439	HAL2	906	0	0	0	0.09	
-908	H11	SLES	1	12.214	-1.08317	18.681	HAL2	906	0	0	0	0.09	
-909	C12	SLES	1	10.2725	-0.762083	17.7397	CTL3	906	910	911	912	-0.27	
-910	H12	SLES	1	9.56114	-1.60368	17.5878	HAL3	909	0	0	0	0.09	
-911	H12	SLES	1	10.9124	-0.671106	16.8344	HAL3	909	0	0	0	0.09	
-912	H12	SLES	1	9.68975	0.177433	17.8575	HAL3	909	0	0	0	0.09	
-913	NA	SLES	1	20.2591	-12.4325	37.2436	NA	0	0	0	0	1	
-914	S	SLES	1	18.3036	-9.36744	37.6064	SL	915	916	917	918	1.33	
-915	OS1	SLES	1	18.5076	-10.195	36.1639	OSL	914	919	0	0	-0.28	
-916	OS2	SLES	1	17.713	-10.3075	38.5365	O2L	914	0	0	0	-0.65	
-917	OS3	SLES	1	19.6317	-9.00205	38.0526	O2L	914	0	0	0	-0.65	
-918	OS4	SLES	1	17.4708	-8.17955	37.5071	O2L	914	0	0	0	-0.65	
-919	C2	SLES	1	17.6142	-9.6299	35.1138	CC32A	915	920	921	922	-0.11	
-920	H2A	SLES	1	16.5425	-9.63707	35.4583	HCA2	919	0	0	0	0.09	
-921	H2B	SLES	1	17.9255	-8.56718	34.9139	HCA2	919	0	0	0	0.09	
-922	C1	SLES	1	17.7568	-10.4965	33.7742	CC32A	919	923	924	925	-0.01	
-923	H1B	SLES	1	17.5342	-11.5669	33.9896	HCA2	922	0	0	0	0.09	
-924	H1A	SLES	1	18.797	-10.418	33.3803	HCA2	922	0	0	0	0.09	
-925	O1	SLES	1	16.9009	-10.205	32.6078	OC30A	922	926	0	0	-0.34	
-926	C2	SLES	1	16.2629	-8.91079	32.5827	CC32A	925	927	928	929	-0.01	
-927	H2A	SLES	1	15.642	-8.94779	33.4993	HCA2	926	0	0	0	0.09	
-928	H2B	SLES	1	17.1176	-8.2188	32.7562	HCA2	926	0	0	0	0.09	
-929	C1	SLES	1	15.3999	-8.38966	31.3907	CC32A	926	930	931	932	-0.01	
-930	H1B	SLES	1	14.3343	-8.66341	31.5512	HCA2	929	0	0	0	0.09	
-931	H1A	SLES	1	15.4786	-7.28532	31.3373	HCA2	929	0	0	0	0.09	
-932	O1	SLES	1	15.574	-8.84901	30.0118	OC30A	929	933	0	0	-0.34	
-933	C1	SLES	1	15.2308	-7.85708	28.9763	CTL2	932	934	935	936	-0.18	
-934	H11	SLES	1	14.7249	-7.01654	29.4849	HAL2	933	0	0	0	0.09	
-935	H12	SLES	1	16.2385	-7.52294	28.6534	HAL2	933	0	0	0	0.09	
-936	C2	SLES	1	14.3852	-8.30136	27.7178	CTL2	933	937	938	939	-0.18	
-937	H21	SLES	1	14.1172	-9.37679	27.8199	HAL2	936	0	0	0	0.09	
-938	H22	SLES	1	15.01	-8.18938	26.8047	HAL2	936	0	0	0	0.09	
-939	C3	SLES	1	13.0409	-7.44039	27.5449	CTL2	936	940	941	942	-0.18	
-940	H31	SLES	1	12.174	-8.05301	27.8788	HAL2	939	0	0	0	0.09	
-941	H32	SLES	1	13.0975	-6.54694	28.1981	HAL2	939	0	0	0	0.09	
-942	C4	SLES	1	12.7934	-6.97073	26.0514	CTL2	939	943	944	945	-0.18	
-943	H41	SLES	1	12.0237	-7.62505	25.5915	HAL2	942	0	0	0	0.09	
-944	H42	SLES	1	13.7339	-7.08857	25.4712	HAL2	942	0	0	0	0.09	
-945	C5	SLES	1	12.3128	-5.45259	25.9564	CTL2	942	946	947	948	-0.18	
-946	H51	SLES	1	11.9359	-5.12813	26.9515	HAL2	945	0	0	0	0.09	
-947	H52	SLES	1	13.1856	-4.81149	25.6955	HAL2	945	0	0	0	0.09	
-948	C6	SLES	1	11.1783	-5.23382	24.8857	CTL2	945	949	950	951	-0.18	
-949	H61	SLES	1	10.2298	-5.67447	25.2669	HAL2	948	0	0	0	0.09	
-950	H62	SLES	1	11.0168	-4.13912	24.7478	HAL2	948	0	0	0	0.09	
-951	C7	SLES	1	11.5186	-5.87548	23.5034	CTL2	948	952	953	954	-0.18	
-952	H71	SLES	1	11.2858	-6.96274	23.541	HAL2	951	0	0	0	0.09	
-953	H72	SLES	1	12.6086	-5.76406	23.3089	HAL2	951	0	0	0	0.09	
-954	C8	SLES	1	10.7292	-5.23199	22.3362	CTL2	951	955	956	957	-0.18	
-955	H81	SLES	1	9.65829	-5.13794	22.629	HAL2	954	0	0	0	0.09	
-956	H82	SLES	1	11.126	-4.20817	22.1494	HAL2	954	0	0	0	0.09	
-957	C9	SLES	1	10.8259	-6.05884	21.0296	CTL2	954	958	959	960	-0.18	
-958	H91	SLES	1	10.4565	-7.09116	21.225	HAL2	957	0	0	0	0.09	
-959	H92	SLES	1	11.8938	-6.12863	20.7226	HAL2	957	0	0	0	0.09	
-960	C10	SLES	1	10.0072	-5.44116	19.8714	CTL2	957	961	962	963	-0.18	
-961	H10	SLES	1	8.93495	-5.39275	20.1694	HAL2	960	0	0	0	0.09	
-962	H10	SLES	1	10.3611	-4.40101	19.6901	HAL2	960	0	0	0	0.09	
-963	C11	SLES	1	10.1311	-6.25505	18.556	CTL2	960	964	965	966	-0.18	
-964	H11	SLES	1	9.76951	-7.29249	18.7407	HAL2	963	0	0	0	0.09	
-965	H11	SLES	1	11.2065	-6.31591	18.2718	HAL2	963	0	0	0	0.09	
-966	C12	SLES	1	9.3343	-5.65178	17.3704	CTL3	963	967	968	969	-0.27	
-967	H12	SLES	1	8.58523	-6.38386	16.9958	HAL3	966	0	0	0	0.09	
-968	H12	SLES	1	10.0218	-5.38987	16.5361	HAL3	966	0	0	0	0.09	
-969	H12	SLES	1	8.80006	-4.73114	17.6915	HAL3	966	0	0	0	0.09	
-970	NA	SLES	1	13.4091	-20.7249	36.6436	NA	0	0	0	0	1	
-971	S	SLES	1	11.5732	-17.6368	37.3097	SL	972	973	974	975	1.33	
-972	OS1	SLES	1	11.9645	-18.1941	35.7788	OSL	971	976	0	0	-0.28	
-973	OS2	SLES	1	10.7962	-18.6844	37.9393	O2L	971	0	0	0	-0.65	
-974	OS3	SLES	1	12.8292	-17.4671	38.0099	O2L	971	0	0	0	-0.65	
-975	OS4	SLES	1	10.8262	-16.3893	37.3243	O2L	971	0	0	0	-0.65	
-976	C2	SLES	1	11.2792	-17.3742	34.7403	CC32A	972	977	978	979	-0.11	
-977	H2A	SLES	1	10.1672	-17.3609	34.9148	HCA2	976	0	0	0	0.09	
-978	H2B	SLES	1	11.6702	-16.3208	34.8014	HCA2	976	0	0	0	0.09	
-979	C1	SLES	1	11.5916	-17.984	33.2924	CC32A	976	980	981	982	-0.01	
-980	H1B	SLES	1	11.2853	-19.0549	33.2579	HCA2	979	0	0	0	0.09	
-981	H1A	SLES	1	12.684	-17.9158	33.0794	HCA2	979	0	0	0	0.09	
-982	O1	SLES	1	10.9486	-17.4133	32.0929	OC30A	979	983	0	0	-0.34	
-983	C2	SLES	1	10.387	-16.091	32.229	CC32A	982	984	985	986	-0.01	
-984	H2A	SLES	1	9.62647	-16.2492	33.0186	HCA2	983	0	0	0	0.09	
-985	H2B	SLES	1	11.2358	-15.5132	32.6592	HCA2	983	0	0	0	0.09	
-986	C1	SLES	1	9.75224	-15.29	31.0488	CC32A	983	987	988	989	-0.01	
-987	H1B	SLES	1	8.66265	-15.504	30.9934	HCA2	986	0	0	0	0.09	
-988	H1A	SLES	1	9.8925	-14.2049	31.2258	HCA2	986	0	0	0	0.09	
-989	O1	SLES	1	10.1219	-15.4962	29.6475	OC30A	986	990	0	0	-0.34	
-990	C1	SLES	1	9.99778	-14.3045	28.7882	CTL2	989	991	992	993	-0.18	
-991	H11	SLES	1	9.45885	-13.5364	29.372	HAL2	990	0	0	0	0.09	
-992	H12	SLES	1	11.0592	-13.9966	28.6895	HAL2	990	0	0	0	0.09	
-993	C2	SLES	1	9.34356	-14.4379	27.3563	CTL2	990	994	995	996	-0.18	
-994	H21	SLES	1	9.01034	-15.489	27.2042	HAL2	993	0	0	0	0.09	
-995	H22	SLES	1	10.111	-14.2072	26.5854	HAL2	993	0	0	0	0.09	
-996	C3	SLES	1	8.08798	-13.4564	27.1597	CTL2	993	997	998	999	-0.18	
-997	H31	SLES	1	7.14991	-14.0503	27.2352	HAL2	996	0	0	0	0.09	
-998	H32	SLES	1	8.08306	-12.7079	27.977	HAL2	996	0	0	0	0.09	
-999	C4	SLES	1	8.10582	-12.6983	25.768	CTL2	996	1000	1001	1002	-0.18	
-1000	H41	SLES	1	7.38843	-13.1924	25.08	HAL2	999	0	0	0	0.09	
-1001	H42	SLES	1	9.12007	-12.7796	25.321	HAL2	999	0	0	0	0.09	
-1002	C5	SLES	1	7.72151	-11.156	25.9036	CTL2	999	1003	1004	1005	-0.18	
-1003	H51	SLES	1	7.2067	-10.9942	26.8763	HAL2	1002	0	0	0	0.09	
-1004	H52	SLES	1	8.65518	-10.5483	25.9054	HAL2	1002	0	0	0	0.09	
-1005	C6	SLES	1	6.78494	-10.6523	24.7414	CTL2	1002	1006	1007	1008	-0.18	
-1006	H61	SLES	1	5.76728	-11.0801	24.8844	HAL2	1005	0	0	0	0.09	
-1007	H62	SLES	1	6.70146	-9.54186	24.7992	HAL2	1005	0	0	0	0.09	
-1008	C7	SLES	1	7.31007	-11.0495	23.3255	CTL2	1005	1009	1010	1011	-0.18	
-1009	H71	SLES	1	7.02129	-12.1029	23.1139	HAL2	1008	0	0	0	0.09	
-1010	H72	SLES	1	8.42127	-10.9902	23.3196	HAL2	1008	0	0	0	0.09	
-1011	C8	SLES	1	6.74995	-10.1392	22.2043	CTL2	1008	1012	1013	1014	-0.18	
-1012	H81	SLES	1	5.65192	-10.0173	22.3487	HAL2	1011	0	0	0	0.09	
-1013	H82	SLES	1	7.22125	-9.13311	22.283	HAL2	1011	0	0	0	0.09	
-1014	C9	SLES	1	7.01375	-10.7127	20.7894	CTL2	1011	1015	1016	1017	-0.18	
-1015	H91	SLES	1	6.56772	-11.7309	20.7213	HAL2	1014	0	0	0	0.09	
-1016	H92	SLES	1	8.11227	-10.808	20.6355	HAL2	1014	0	0	0	0.09	
-1017	C10	SLES	1	6.422	-9.82702	19.6674	CTL2	1014	1018	1019	1020	-0.18	
-1018	H10	SLES	1	5.31962	-9.75062	19.8077	HAL2	1017	0	0	0	0.09	
-1019	H10	SLES	1	6.8509	-8.80257	19.7485	HAL2	1017	0	0	0	0.09	
-1020	C11	SLES	1	6.71466	-10.3883	18.2507	CTL2	1017	1021	1022	1023	-0.18	
-1021	H11	SLES	1	6.27783	-11.4101	18.1723	HAL2	1020	0	0	0	0.09	
-1022	H11	SLES	1	7.81737	-10.4797	18.1218	HAL2	1020	0	0	0	0.09	
-1023	C12	SLES	1	6.14825	-9.51337	17.1025	CTL3	1020	1024	1025	1026	-0.27	
-1024	H12	SLES	1	5.43377	-10.1012	16.485	HAL3	1023	0	0	0	0.09	
-1025	H12	SLES	1	6.97235	-9.15544	16.4467	HAL3	1023	0	0	0	0.09	
-1026	H12	SLES	1	5.61528	-8.6296	17.5161	HAL3	1023	0	0	0	0.09	
-1027	NA	SLES	1	3.39474	-24.885	36.3496	NA	0	0	0	0	1	
-1028	S	SLES	1	1.62918	-21.7346	36.9048	SL	1029	1030	1031	1032	1.33	
-1029	OS1	SLES	1	2.33246	-22.1823	35.4514	OSL	1028	1033	0	0	-0.28	
-1030	OS2	SLES	1	0.670612	-22.7702	37.2307	O2L	1028	0	0	0	-0.65	
-1031	OS3	SLES	1	2.69661	-21.7264	37.8831	O2L	1028	0	0	0	-0.65	
-1032	OS4	SLES	1	0.969666	-20.4389	36.8813	O2L	1028	0	0	0	-0.65	
-1033	C2	SLES	1	1.95268	-21.2224	34.3769	CC32A	1029	1034	1035	1036	-0.11	
-1034	H2A	SLES	1	0.83298	-21.1379	34.2974	HCA2	1033	0	0	0	0.09	
-1035	H2B	SLES	1	2.37686	-20.2123	34.634	HCA2	1033	0	0	0	0.09	
-1036	C1	SLES	1	2.55713	-21.7235	32.9807	CC32A	1033	1037	1038	1039	-0.01	
-1037	H1B	SLES	1	2.20798	-22.7598	32.7666	HCA2	1036	0	0	0	0.09	
-1038	H1A	SLES	1	3.67114	-21.722	33.027	HCA2	1036	0	0	0	0.09	
-1039	O1	SLES	1	2.24176	-20.9999	31.7337	OC30A	1036	1040	0	0	-0.34	
-1040	C2	SLES	1	1.73832	-19.6551	31.8775	CC32A	1039	1041	1042	1043	-0.01	
-1041	H2A	SLES	1	0.808197	-19.8232	32.455	HCA2	1040	0	0	0	0.09	
-1042	H2B	SLES	1	2.49534	-19.1859	32.5454	HCA2	1040	0	0	0	0.09	
-1043	C1	SLES	1	1.43937	-18.7053	30.6751	CC32A	1040	1044	1045	1046	-0.01	
-1044	H1B	SLES	1	0.381985	-18.8278	30.3542	HCA2	1043	0	0	0	0.09	
-1045	H1A	SLES	1	1.59501	-17.6545	30.9914	HCA2	1043	0	0	0	0.09	
-1046	O1	SLES	1	2.11111	-18.8143	29.379	OC30A	1043	1047	0	0	-0.34	
-1047	C1	SLES	1	2.25561	-17.5448	28.6431	CTL2	1046	1048	1049	1050	-0.18	
-1048	H11	SLES	1	1.63984	-16.792	29.1677	HAL2	1047	0	0	0	0.09	
-1049	H12	SLES	1	3.32655	-17.3131	28.8182	HAL2	1047	0	0	0	0.09	
-1050	C2	SLES	1	1.94402	-17.4989	27.0949	CTL2	1047	1051	1052	1053	-0.18	
-1051	H21	SLES	1	1.59708	-18.503	26.7629	HAL2	1050	0	0	0	0.09	
-1052	H22	SLES	1	2.88063	-17.2611	26.5446	HAL2	1050	0	0	0	0.09	
-1053	C3	SLES	1	0.82453	-16.4088	26.7248	CTL2	1050	1054	1055	1056	-0.18	
-1054	H31	SLES	1	-0.137075	-16.932	26.525	HAL2	1053	0	0	0	0.09	
-1055	H32	SLES	1	0.672326	-15.7379	27.5936	HAL2	1053	0	0	0	0.09	
-1056	C4	SLES	1	1.20599	-15.5336	25.4596	CTL2	1053	1057	1058	1059	-0.18	
-1057	H41	SLES	1	0.640858	-15.9071	24.5803	HAL2	1056	0	0	0	0.09	
-1058	H42	SLES	1	2.28997	-15.6537	25.2461	HAL2	1056	0	0	0	0.09	
-1059	C5	SLES	1	0.88711	-13.9842	25.6657	CTL2	1056	1060	1061	1062	-0.18	
-1060	H51	SLES	1	0.17105	-13.8699	26.5093	HAL2	1059	0	0	0	0.09	
-1061	H52	SLES	1	1.82734	-13.4538	25.9408	HAL2	1059	0	0	0	0.09	
-1062	C6	SLES	1	0.274279	-13.3076	24.3819	CTL2	1059	1063	1064	1065	-0.18	
-1063	H61	SLES	1	-0.771019	-13.6657	24.247	HAL2	1062	0	0	0	0.09	
-1064	H62	SLES	1	0.241593	-12.2036	24.5351	HAL2	1062	0	0	0	0.09	
-1065	C7	SLES	1	1.08978	-13.6171	23.0867	CTL2	1062	1066	1067	1068	-0.18	
-1066	H71	SLES	1	0.799679	-14.6217	22.7067	HAL2	1065	0	0	0	0.09	
-1067	H72	SLES	1	2.17375	-13.6443	23.337	HAL2	1065	0	0	0	0.09	
-1068	C8	SLES	1	0.855745	-12.5697	21.9697	CTL2	1065	1069	1070	1071	-0.18	
-1069	H81	SLES	1	-0.237377	-12.3758	21.8755	HAL2	1068	0	0	0	0.09	
-1070	H82	SLES	1	1.35126	-11.6145	22.2569	HAL2	1068	0	0	0	0.09	
-1071	C9	SLES	1	1.40739	-13.0339	20.5983	CTL2	1068	1072	1073	1074	-0.18	
-1072	H91	SLES	1	0.933283	-14.0041	20.3258	HAL2	1071	0	0	0	0.09	
-1073	H92	SLES	1	2.50465	-13.2006	20.6862	HAL2	1071	0	0	0	0.09	
-1074	C10	SLES	1	1.14143	-12.0085	19.4709	CTL2	1071	1075	1076	1077	-0.18	
-1075	H10	SLES	1	0.0424904	-11.8591	19.367	HAL2	1074	0	0	0	0.09	
-1076	H10	SLES	1	1.59623	-11.0319	19.7528	HAL2	1074	0	0	0	0.09	
-1077	C11	SLES	1	1.72221	-12.4626	18.1054	CTL2	1074	1078	1079	1080	-0.18	
-1078	H11	SLES	1	1.25922	-13.4362	17.8246	HAL2	1077	0	0	0	0.09	
-1079	H11	SLES	1	2.81798	-12.628	18.2189	HAL2	1077	0	0	0	0.09	
-1080	C12	SLES	1	1.48632	-11.4475	16.9572	CTL3	1077	1081	1082	1083	-0.27	
-1081	H12	SLES	1	0.902511	-11.9206	16.137	HAL3	1080	0	0	0	0.09	
-1082	H12	SLES	1	2.45837	-11.0981	16.5444	HAL3	1080	0	0	0	0.09	
-1083	H12	SLES	1	0.922133	-10.5652	17.3304	HAL3	1080	0	0	0	0.09	
-1084	NA	SLES	1	-7.53703	-23.976	36.3377	NA	0	0	0	0	1	
-1085	S	SLES	1	-9.15264	-20.6993	36.3975	SL	1086	1087	1088	1089	1.33	
-1086	OS1	SLES	1	-8.14504	-21.2357	35.171	OSL	1085	1090	0	0	-0.28	
-1087	OS2	SLES	1	-10.2344	-21.6582	36.4861	O2L	1085	0	0	0	-0.65	
-1088	OS3	SLES	1	-8.36358	-20.7339	37.6111	O2L	1085	0	0	0	-0.65	
-1089	OS4	SLES	1	-9.69027	-19.3635	36.1949	O2L	1085	0	0	0	-0.65	
-1090	C2	SLES	1	-8.17597	-20.2845	34.0245	CC32A	1086	1091	1092	1093	-0.11	
-1091	H2A	SLES	1	-9.23182	-20.1276	33.6671	HCA2	1090	0	0	0	0.09	
-1092	H2B	SLES	1	-7.75697	-19.298	34.3674	HCA2	1090	0	0	0	0.09	
-1093	C1	SLES	1	-7.28189	-20.8659	32.8293	CC32A	1090	1094	1095	1096	-0.01	
-1094	H1B	SLES	1	-7.64098	-21.8824	32.5471	HCA2	1093	0	0	0	0.09	
-1095	H1A	SLES	1	-6.21711	-20.9378	33.1521	HCA2	1093	0	0	0	0.09	
-1096	O1	SLES	1	-7.22491	-20.1599	31.5346	OC30A	1093	1097	0	0	-0.34	
-1097	C2	SLES	1	-7.64971	-18.7807	31.5323	CC32A	1096	1098	1099	1100	-0.01	
-1098	H2A	SLES	1	-8.70365	-18.8689	31.8614	HCA2	1097	0	0	0	0.09	
-1099	H2B	SLES	1	-7.05017	-18.3438	32.3624	HCA2	1097	0	0	0	0.09	
-1100	C1	SLES	1	-7.57155	-17.8488	30.2822	CC32A	1097	1101	1102	1103	-0.01	
-1101	H1B	SLES	1	-8.52227	-17.9094	29.7091	HCA2	1100	0	0	0	0.09	
-1102	H1A	SLES	1	-7.42371	-16.8019	30.615	HCA2	1100	0	0	0	0.09	
-1103	O1	SLES	1	-6.60897	-18.0406	29.1962	OC30A	1100	1104	0	0	-0.34	
-1104	C1	SLES	1	-6.19505	-16.8059	28.5047	CTL2	1103	1105	1106	1107	-0.18	
-1105	H11	SLES	1	-6.86565	-15.9984	28.8502	HAL2	1104	0	0	0	0.09	
-1106	H12	SLES	1	-5.18717	-16.6415	28.9388	HAL2	1104	0	0	0	0.09	
-1107	C2	SLES	1	-6.10865	-16.7848	26.9273	CTL2	1104	1108	1109	1110	-0.18	
-1108	H21	SLES	1	-6.43403	-17.7727	26.5311	HAL2	1107	0	0	0	0.09	
-1109	H22	SLES	1	-5.05015	-16.6266	26.6254	HAL2	1107	0	0	0	0.09	
-1110	C3	SLES	1	-7.01951	-15.6335	26.2767	CTL2	1107	1111	1112	1113	-0.18	
-1111	H31	SLES	1	-7.93672	-16.0966	25.8495	HAL2	1110	0	0	0	0.09	
-1112	H32	SLES	1	-7.33359	-14.9286	27.0721	HAL2	1110	0	0	0	0.09	
-1113	C4	SLES	1	-6.27387	-14.8234	25.1365	CTL2	1110	1114	1115	1116	-0.18	
-1114	H41	SLES	1	-6.62866	-15.1839	24.1484	HAL2	1113	0	0	0	0.09	
-1115	H42	SLES	1	-5.18243	-15.0222	25.2017	HAL2	1113	0	0	0	0.09	
-1116	C5	SLES	1	-6.52106	-13.2507	25.2382	CTL2	1113	1117	1118	1119	-0.18	
-1117	H51	SLES	1	-7.41382	-13.0639	25.875	HAL2	1116	0	0	0	0.09	
-1118	H52	SLES	1	-5.64267	-12.7768	25.7329	HAL2	1116	0	0	0	0.09	
-1119	C6	SLES	1	-6.74569	-12.5727	23.8342	CTL2	1116	1120	1121	1122	-0.18	
-1120	H61	SLES	1	-7.7479	-12.8636	23.4469	HAL2	1119	0	0	0	0.09	
-1121	H62	SLES	1	-6.73546	-11.4649	23.9613	HAL2	1119	0	0	0	0.09	
-1122	C7	SLES	1	-5.65894	-12.9741	22.7873	CTL2	1119	1123	1124	1125	-0.18	
-1123	H71	SLES	1	-5.91753	-13.9677	22.3588	HAL2	1122	0	0	0	0.09	
-1124	H72	SLES	1	-4.67583	-13.0666	23.3004	HAL2	1122	0	0	0	0.09	
-1125	C8	SLES	1	-5.53219	-11.9468	21.6348	CTL2	1122	1126	1127	1128	-0.18	
-1126	H81	SLES	1	-6.55081	-11.6828	21.2686	HAL2	1125	0	0	0	0.09	
-1127	H82	SLES	1	-5.05572	-11.0188	22.0254	HAL2	1125	0	0	0	0.09	
-1128	C9	SLES	1	-4.69263	-12.487	20.4501	CTL2	1125	1129	1130	1131	-0.18	
-1129	H91	SLES	1	-5.15314	-13.4308	20.0793	HAL2	1128	0	0	0	0.09	
-1130	H92	SLES	1	-3.66648	-12.7243	20.811	HAL2	1128	0	0	0	0.09	
-1131	C10	SLES	1	-4.59573	-11.4797	19.2799	CTL2	1128	1132	1133	1134	-0.18	
-1132	H10	SLES	1	-5.62078	-11.26	18.9034	HAL2	1131	0	0	0	0.09	
-1133	H10	SLES	1	-4.15573	-10.5279	19.6549	HAL2	1131	0	0	0	0.09	
-1134	C11	SLES	1	-3.72876	-12.0118	18.1081	CTL2	1131	1135	1136	1137	-0.18	
-1135	H11	SLES	1	-4.17674	-12.96	17.7322	HAL2	1134	0	0	0	0.09	
-1136	H11	SLES	1	-2.71031	-12.2469	18.4934	HAL2	1134	0	0	0	0.09	
-1137	C12	SLES	1	-3.59841	-11.0174	16.9254	CTL3	1134	1138	1139	1140	-0.27	
-1138	H12	SLES	1	-3.9931	-11.4741	15.9911	HAL3	1137	0	0	0	0.09	
-1139	H12	SLES	1	-2.53171	-10.7462	16.7642	HAL3	1137	0	0	0	0.09	
-1140	H12	SLES	1	-4.17223	-10.0886	17.1356	HAL3	1137	0	0	0	0.09	
-1141	NA	SLES	1	-17.0078	-18.1394	36.5209	NA	0	0	0	0	1	
-1142	S	SLES	1	-18.3092	-14.7988	35.8159	SL	1143	1144	1145	1146	1.33	
-1143	OS1	SLES	1	-17.1184	-15.5602	34.9161	OSL	1142	1147	0	0	-0.28	
-1144	OS2	SLES	1	-19.4648	-15.6713	35.7853	O2L	1142	0	0	0	-0.65	
-1145	OS3	SLES	1	-17.7968	-14.7078	37.1671	O2L	1142	0	0	0	-0.65	
-1146	OS4	SLES	1	-18.6745	-13.4759	35.3353	O2L	1142	0	0	0	-0.65	
-1147	C2	SLES	1	-16.8267	-14.7798	33.6807	CC32A	1143	1148	1149	1150	-0.11	
-1148	H2A	SLES	1	-17.767	-14.6138	33.0846	HCA2	1147	0	0	0	0.09	
-1149	H2B	SLES	1	-16.4043	-13.7809	33.9807	HCA2	1147	0	0	0	0.09	
-1150	C1	SLES	1	-15.7569	-15.5747	32.7921	CC32A	1147	1151	1152	1153	-0.01	
-1151	H1B	SLES	1	-16.1362	-16.5982	32.5677	HCA2	1150	0	0	0	0.09	
-1152	H1A	SLES	1	-14.7933	-15.6621	33.3461	HCA2	1150	0	0	0	0.09	
-1153	O1	SLES	1	-15.3699	-15.0626	31.4632	OC30A	1150	1154	0	0	-0.34	
-1154	C2	SLES	1	-15.6633	-13.6752	31.1957	CC32A	1153	1155	1156	1157	-0.01	
-1155	H2A	SLES	1	-16.7663	-13.6549	31.2949	HCA2	1154	0	0	0	0.09	
-1156	H2B	SLES	1	-15.2145	-13.1613	32.0753	HCA2	1154	0	0	0	0.09	
-1157	C1	SLES	1	-15.2453	-12.9348	29.8863	CC32A	1154	1158	1159	1160	-0.01	
-1158	H1B	SLES	1	-16.0572	-13.0203	29.1315	HCA2	1157	0	0	0	0.09	
-1159	H1A	SLES	1	-15.0797	-11.8618	30.1096	HCA2	1157	0	0	0	0.09	
-1160	O1	SLES	1	-14.0978	-13.3333	29.0695	OC30A	1157	1161	0	0	-0.34	
-1161	C1	SLES	1	-13.4429	-12.2345	28.3362	CTL2	1160	1162	1163	1164	-0.18	
-1162	H11	SLES	1	-14.098	-11.3488	28.423	HAL2	1161	0	0	0	0.09	
-1163	H12	SLES	1	-12.5374	-12.0693	28.9559	HAL2	1161	0	0	0	0.09	
-1164	C2	SLES	1	-13.0278	-12.4408	26.8258	CTL2	1161	1165	1166	1167	-0.18	
-1165	H21	SLES	1	-13.348	-13.4541	26.4949	HAL2	1164	0	0	0	0.09	
-1166	H22	SLES	1	-11.92	-12.3885	26.7451	HAL2	1164	0	0	0	0.09	
-1167	C3	SLES	1	-13.6793	-11.3417	25.8531	CTL2	1164	1168	1169	1170	-0.18	
-1168	H31	SLES	1	-14.5239	-11.8064	25.2973	HAL2	1167	0	0	0	0.09	
-1169	H32	SLES	1	-14.0899	-10.5147	26.4661	HAL2	1167	0	0	0	0.09	
-1170	C4	SLES	1	-12.6446	-10.745	24.8112	CTL2	1167	1171	1172	1173	-0.18	
-1171	H41	SLES	1	-12.8154	-11.2199	23.8226	HAL2	1170	0	0	0	0.09	
-1172	H42	SLES	1	-11.6123	-10.9956	25.1376	HAL2	1170	0	0	0	0.09	
-1173	C5	SLES	1	-12.7699	-9.16198	24.6589	CTL2	1170	1174	1175	1176	-0.18	
-1174	H51	SLES	1	-13.7562	-8.83582	25.0568	HAL2	1173	0	0	0	0.09	
-1175	H52	SLES	1	-11.9762	-8.67487	25.2702	HAL2	1173	0	0	0	0.09	
-1176	C6	SLES	1	-12.6368	-8.67661	23.1662	CTL2	1173	1177	1178	1179	-0.18	
-1177	H61	SLES	1	-13.5576	-8.96058	22.6089	HAL2	1176	0	0	0	0.09	
-1178	H62	SLES	1	-12.5571	-7.56445	23.1528	HAL2	1176	0	0	0	0.09	
-1179	C7	SLES	1	-11.3947	-9.28394	22.4406	CTL2	1176	1180	1181	1182	-0.18	
-1180	H71	SLES	1	-11.6436	-10.3113	22.0937	HAL2	1179	0	0	0	0.09	
-1181	H72	SLES	1	-10.5521	-9.36012	23.1635	HAL2	1179	0	0	0	0.09	
-1182	C8	SLES	1	-10.9415	-8.43829	21.2244	CTL2	1179	1183	1184	1185	-0.18	
-1183	H81	SLES	1	-11.8344	-8.16986	20.6144	HAL2	1182	0	0	0	0.09	
-1184	H82	SLES	1	-10.4781	-7.49383	21.5903	HAL2	1182	0	0	0	0.09	
-1185	C9	SLES	1	-9.92345	-9.18789	20.3288	CTL2	1182	1186	1187	1188	-0.18	
-1186	H91	SLES	1	-10.3768	-10.1462	19.9875	HAL2	1185	0	0	0	0.09	
-1187	H92	SLES	1	-9.01978	-9.43109	20.9319	HAL2	1185	0	0	0	0.09	
-1188	C10	SLES	1	-9.49734	-8.36281	19.0915	CTL2	1185	1189	1190	1191	-0.18	
-1189	H10	SLES	1	-10.3982	-8.13927	18.4756	HAL2	1188	0	0	0	0.09	
-1190	H10	SLES	1	-9.06419	-7.39488	19.4314	HAL2	1188	0	0	0	0.09	
-1191	C11	SLES	1	-8.45458	-9.10408	18.2133	CTL2	1188	1192	1193	1194	-0.18	
-1192	H11	SLES	1	-8.89499	-10.0682	17.8703	HAL2	1191	0	0	0	0.09	
-1193	H11	SLES	1	-7.5633	-9.34127	18.8381	HAL2	1191	0	0	0	0.09	
-1194	C12	SLES	1	-7.9944	-8.29546	16.9728	CTL3	1191	1195	1196	1197	-0.27	
-1195	H12	SLES	1	-8.22367	-8.85559	16.0395	HAL3	1194	0	0	0	0.09	
-1196	H12	SLES	1	-6.8981	-8.11209	17.0159	HAL3	1194	0	0	0	0.09	
-1197	H12	SLES	1	-8.51645	-7.31457	16.9346	HAL3	1194	0	0	0	0.09	
-1198	NA	SLES	1	-22.9559	-8.53707	36.7726	NA	0	0	0	0	1	
-1199	S	SLES	1	-23.8546	-5.3626	35.2024	SL	1200	1201	1202	1203	1.33	
-1200	OS1	SLES	1	-22.6349	-6.37525	34.66	OSL	1199	1204	0	0	-0.28	
-1201	OS2	SLES	1	-25.0712	-6.14831	35.195	O2L	1199	0	0	0	-0.65	
-1202	OS3	SLES	1	-23.5072	-5.0061	36.5621	O2L	1199	0	0	0	-0.65	
-1203	OS4	SLES	1	-24.0373	-4.15927	34.4068	O2L	1199	0	0	0	-0.65	
-1204	C2	SLES	1	-22.1236	-5.90691	33.341	CC32A	1200	1205	1206	1207	-0.11	
-1205	H2A	SLES	1	-22.9642	-5.8201	32.5974	HCA2	1204	0	0	0	0.09	
-1206	H2B	SLES	1	-21.6536	-4.89392	33.4795	HCA2	1204	0	0	0	0.09	
-1207	C1	SLES	1	-21.0279	-6.94228	32.7995	CC32A	1204	1208	1209	1210	-0.01	
-1208	H1B	SLES	1	-21.467	-7.96508	32.7454	HCA2	1207	0	0	0	0.09	
-1209	H1A	SLES	1	-20.152	-6.96329	33.489	HCA2	1207	0	0	0	0.09	
-1210	O1	SLES	1	-20.4351	-6.76153	31.4602	OC30A	1207	1211	0	0	-0.34	
-1211	C2	SLES	1	-20.5673	-5.45257	30.8671	CC32A	1210	1212	1213	1214	-0.01	
-1212	H2A	SLES	1	-21.6677	-5.34377	30.8041	HCA2	1211	0	0	0	0.09	
-1213	H2B	SLES	1	-20.1864	-4.78493	31.6724	HCA2	1211	0	0	0	0.09	
-1214	C1	SLES	1	-19.9257	-5.04719	29.5028	CC32A	1211	1215	1216	1217	-0.01	
-1215	H1B	SLES	1	-20.6423	-5.24817	28.6768	HCA2	1214	0	0	0	0.09	
-1216	H1A	SLES	1	-19.6932	-3.96349	29.5154	HCA2	1214	0	0	0	0.09	
-1217	O1	SLES	1	-18.7264	-5.68557	28.9579	OC30A	1214	1218	0	0	-0.34	
-1218	C1	SLES	1	-17.8898	-4.81821	28.1083	CTL2	1217	1219	1220	1221	-0.18	
-1219	H11	SLES	1	-18.4684	-3.89713	27.9132	HAL2	1218	0	0	0	0.09	
-1220	H12	SLES	1	-17.0567	-4.57532	28.7999	HAL2	1218	0	0	0	0.09	
-1221	C2	SLES	1	-17.3112	-5.37863	26.7491	CTL2	1218	1222	1223	1224	-0.18	
-1222	H21	SLES	1	-17.6778	-6.41866	26.5981	HAL2	1221	0	0	0	0.09	
-1223	H22	SLES	1	-16.2017	-5.41288	26.8153	HAL2	1221	0	0	0	0.09	
-1224	C3	SLES	1	-17.7359	-4.4846	25.4846	CTL2	1221	1225	1226	1227	-0.18	
-1225	H31	SLES	1	-18.5436	-5.00859	24.9266	HAL2	1224	0	0	0	0.09	
-1226	H32	SLES	1	-18.1433	-3.51907	25.8453	HAL2	1224	0	0	0	0.09	
-1227	C4	SLES	1	-16.5309	-4.19733	24.4959	CTL2	1224	1228	1229	1230	-0.18	
-1228	H41	SLES	1	-16.6201	-4.868	23.6159	HAL2	1227	0	0	0	0.09	
-1229	H42	SLES	1	-15.5737	-4.43179	25.0094	HAL2	1227	0	0	0	0.09	
-1230	C5	SLES	1	-16.4937	-2.68271	23.9966	CTL2	1227	1231	1232	1233	-0.18	
-1231	H51	SLES	1	-17.4883	-2.21724	24.1742	HAL2	1230	0	0	0	0.09	
-1232	H52	SLES	1	-15.7412	-2.12151	24.5964	HAL2	1230	0	0	0	0.09	
-1233	C6	SLES	1	-16.1339	-2.54881	22.4688	CTL2	1230	1234	1235	1236	-0.18	
-1234	H61	SLES	1	-17.0004	-2.8926	21.8605	HAL2	1233	0	0	0	0.09	
-1235	H62	SLES	1	-15.9535	-1.47415	22.2322	HAL2	1233	0	0	0	0.09	
-1236	C7	SLES	1	-14.8711	-3.37603	22.0695	CTL2	1233	1237	1238	1239	-0.18	
-1237	H71	SLES	1	-15.1665	-4.43762	21.916	HAL2	1236	0	0	0	0.09	
-1238	H72	SLES	1	-14.1348	-3.34137	22.9031	HAL2	1236	0	0	0	0.09	
-1239	C8	SLES	1	-14.1968	-2.84973	20.778	CTL2	1236	1240	1241	1242	-0.18	
-1240	H81	SLES	1	-14.9796	-2.66922	20.006	HAL2	1239	0	0	0	0.09	
-1241	H82	SLES	1	-13.6993	-1.87764	20.9975	HAL2	1239	0	0	0	0.09	
-1242	C9	SLES	1	-13.1473	-3.83942	20.2129	CTL2	1239	1243	1244	1245	-0.18	
-1243	H91	SLES	1	-13.6391	-4.82014	20.0215	HAL2	1242	0	0	0	0.09	
-1244	H92	SLES	1	-12.3507	-3.99755	20.9744	HAL2	1242	0	0	0	0.09	
-1245	C10	SLES	1	-12.499	-3.33617	18.9015	CTL2	1242	1246	1247	1248	-0.18	
-1246	H10	SLES	1	-13.293	-3.20018	18.1321	HAL2	1245	0	0	0	0.09	
-1247	H10	SLES	1	-12.026	-2.34518	19.0866	HAL2	1245	0	0	0	0.09	
-1248	C11	SLES	1	-11.4265	-4.31541	18.3549	CTL2	1245	1249	1250	1251	-0.18	
-1249	H11	SLES	1	-11.9059	-5.30293	18.1649	HAL2	1248	0	0	0	0.09	
-1250	H11	SLES	1	-10.6443	-4.46214	19.1344	HAL2	1248	0	0	0	0.09	
-1251	C12	SLES	1	-10.7456	-3.83095	17.0487	CTL3	1248	1252	1253	1254	-0.27	
-1252	H12	SLES	1	-10.907	-4.56879	16.2321	HAL3	1251	0	0	0	0.09	
-1253	H12	SLES	1	-9.651	-3.70959	17.2054	HAL3	1251	0	0	0	0.09	
-1254	H12	SLES	1	-11.1686	-2.85299	16.7313	HAL3	1251	0	0	0	0.09	
-1255	NA	SLES	1	-24.0435	2.874	36.9558	NA	0	0	0	0	1	
-1256	S	SLES	1	-24.6616	5.60124	34.6041	SL	1257	1258	1259	1260	1.33	
-1257	OS1	SLES	1	-23.5212	4.39503	34.3764	OSL	1256	1261	0	0	-0.28	
-1258	OS2	SLES	1	-25.9377	4.93333	34.7556	O2L	1256	0	0	0	-0.65	
-1259	OS3	SLES	1	-24.3039	6.2656	35.8399	O2L	1256	0	0	0	-0.65	
-1260	OS4	SLES	1	-24.7359	6.57205	33.5241	O2L	1256	0	0	0	-0.65	
-1261	C2	SLES	1	-22.9567	4.47171	32.9995	CC32A	1257	1262	1263	1264	-0.11	
-1262	H2A	SLES	1	-23.7778	4.42888	32.2307	HCA2	1261	0	0	0	0.09	
-1263	H2B	SLES	1	-22.4078	5.44822	32.8924	HCA2	1261	0	0	0	0.09	
-1264	C1	SLES	1	-21.9417	3.25315	32.7743	CC32A	1261	1265	1266	1267	-0.01	
-1265	H1B	SLES	1	-22.4615	2.28637	32.9665	HCA2	1264	0	0	0	0.09	
-1266	H1A	SLES	1	-21.0793	3.34296	33.4753	HCA2	1264	0	0	0	0.09	
-1267	O1	SLES	1	-21.3189	3.04126	31.4532	OC30A	1264	1268	0	0	-0.34	
-1268	C2	SLES	1	-21.3369	4.16177	30.544	CC32A	1267	1269	1270	1271	-0.01	
-1269	H2A	SLES	1	-22.424	4.33326	30.4191	HCA2	1268	0	0	0	0.09	
-1270	H2B	SLES	1	-20.9135	4.98215	31.1661	HCA2	1268	0	0	0	0.09	
-1271	C1	SLES	1	-20.6471	4.15638	29.1435	CC32A	1268	1272	1273	1274	-0.01	
-1272	H1B	SLES	1	-21.3669	3.80582	28.3721	HCA2	1271	0	0	0	0.09	
-1273	H1A	SLES	1	-20.3277	5.18682	28.8889	HCA2	1271	0	0	0	0.09	
-1274	O1	SLES	1	-19.4966	3.31189	28.818	OC30A	1271	1275	0	0	-0.34	
-1275	C1	SLES	1	-18.5816	3.86847	27.8046	CTL2	1274	1276	1277	1278	-0.18	
-1276	H11	SLES	1	-19.081	4.75013	27.3637	HAL2	1275	0	0	0	0.09	
-1277	H12	SLES	1	-17.7405	4.21643	28.4393	HAL2	1275	0	0	0	0.09	
-1278	C2	SLES	1	-18.0329	2.9381	26.6515	CTL2	1275	1279	1280	1281	-0.18	
-1279	H21	SLES	1	-18.4806	1.92455	26.7568	HAL2	1278	0	0	0	0.09	
-1280	H22	SLES	1	-16.9308	2.83862	26.761	HAL2	1278	0	0	0	0.09	
-1281	C3	SLES	1	-18.3674	3.50936	25.1886	CTL2	1278	1282	1283	1284	-0.18	
-1282	H31	SLES	1	-19.2077	2.92258	24.755	HAL2	1281	0	0	0	0.09	
-1283	H32	SLES	1	-18.6997	4.56272	25.2793	HAL2	1281	0	0	0	0.09	
-1284	C4	SLES	1	-17.1305	3.44356	24.1997	CTL2	1281	1285	1286	1287	-0.18	
-1285	H41	SLES	1	-17.2624	2.57929	23.5158	HAL2	1284	0	0	0	0.09	
-1286	H42	SLES	1	-16.2021	3.27658	24.7872	HAL2	1284	0	0	0	0.09	
-1287	C5	SLES	1	-16.9641	4.7735	23.3346	CTL2	1284	1288	1289	1290	-0.18	
-1288	H51	SLES	1	-17.9199	5.34225	23.3556	HAL2	1287	0	0	0	0.09	
-1289	H52	SLES	1	-16.1764	5.41095	23.7973	HAL2	1287	0	0	0	0.09	
-1290	C6	SLES	1	-16.575	4.48589	21.8355	CTL2	1287	1291	1292	1293	-0.18	
-1291	H61	SLES	1	-17.4587	4.06444	21.3058	HAL2	1290	0	0	0	0.09	
-1292	H62	SLES	1	-16.3051	5.44796	21.3406	HAL2	1290	0	0	0	0.09	
-1293	C7	SLES	1	-15.3785	3.49172	21.7007	CTL2	1290	1294	1295	1296	-0.18	
-1294	H71	SLES	1	-15.757	2.45141	21.8114	HAL2	1293	0	0	0	0.09	
-1295	H72	SLES	1	-14.6525	3.68242	22.5222	HAL2	1293	0	0	0	0.09	
-1296	C8	SLES	1	-14.6472	3.61903	20.3411	CTL2	1293	1297	1298	1299	-0.18	
-1297	H81	SLES	1	-15.4028	3.65495	19.5231	HAL2	1296	0	0	0	0.09	
-1298	H82	SLES	1	-14.0754	4.57472	20.3236	HAL2	1296	0	0	0	0.09	
-1299	C9	SLES	1	-13.6742	2.44197	20.08	CTL2	1296	1300	1301	1302	-0.18	
-1300	H91	SLES	1	-14.2414	1.4847	20.1271	HAL2	1299	0	0	0	0.09	
-1301	H92	SLES	1	-12.9029	2.42391	20.8827	HAL2	1299	0	0	0	0.09	
-1302	C10	SLES	1	-12.9704	2.54391	18.7061	CTL2	1299	1303	1304	1305	-0.18	
-1303	H10	SLES	1	-13.7408	2.53845	17.9016	HAL2	1302	0	0	0	0.09	
-1304	H10	SLES	1	-12.421	3.51091	18.6498	HAL2	1302	0	0	0	0.09	
-1305	C11	SLES	1	-11.9738	1.37993	18.4611	CTL2	1302	1306	1307	1308	-0.18	
-1306	H11	SLES	1	-12.5293	0.415528	18.5116	HAL2	1305	0	0	0	0.09	
-1307	H11	SLES	1	-11.2162	1.37852	19.2778	HAL2	1305	0	0	0	0.09	
-1308	C12	SLES	1	-11.2392	1.46263	17.098	CTL3	1305	1309	1310	1311	-0.27	
-1309	H12	SLES	1	-11.4494	0.555201	16.49	HAL3	1308	0	0	0	0.09	
-1310	H12	SLES	1	-10.1405	1.53737	17.2551	HAL3	1308	0	0	0	0.09	
-1311	H12	SLES	1	-11.5774	2.35623	16.5295	HAL3	1308	0	0	0	0.09	
-1312	NA	SLES	1	-19.9491	13.7375	36.9512	NA	0	0	0	0	1	
-1313	S	SLES	1	-20.6085	15.8757	34.0627	SL	1314	1315	1316	1317	1.33	
-1314	OS1	SLES	1	-19.5837	14.5502	34.0451	OSL	1313	1318	0	0	-0.28	
-1315	OS2	SLES	1	-21.9064	15.3829	34.4751	O2L	1313	0	0	0	-0.65	
-1316	OS3	SLES	1	-20.083	16.7778	35.0659	O2L	1313	0	0	0	-0.65	
-1317	OS4	SLES	1	-20.723	16.5659	32.7879	O2L	1313	0	0	0	-0.65	
-1318	C2	SLES	1	-19.1564	14.2466	32.6502	CC32A	1314	1319	1320	1321	-0.11	
-1319	H2A	SLES	1	-20.0516	14.0987	31.984	HCA2	1318	0	0	0	0.09	
-1320	H2B	SLES	1	-18.5543	15.1152	32.264	HCA2	1318	0	0	0	0.09	
-1321	C1	SLES	1	-18.2568	12.9213	32.6482	CC32A	1318	1322	1323	1324	-0.01	
-1322	H1B	SLES	1	-18.8208	12.0795	33.1119	HCA2	1321	0	0	0	0.09	
-1323	H1A	SLES	1	-17.3242	13.0947	33.2342	HCA2	1321	0	0	0	0.09	
-1324	O1	SLES	1	-17.7862	12.3464	31.3731	OC30A	1321	1325	0	0	-0.34	
-1325	C2	SLES	1	-17.8172	13.2167	30.2223	CC32A	1324	1326	1327	1328	-0.01	
-1326	H2A	SLES	1	-18.8968	13.453	30.1474	HCA2	1325	0	0	0	0.09	
-1327	H2B	SLES	1	-17.2772	14.1185	30.5891	HCA2	1325	0	0	0	0.09	
-1328	C1	SLES	1	-17.2737	12.8166	28.8145	CC32A	1325	1329	1330	1331	-0.01	
-1329	H1B	SLES	1	-18.0901	12.3611	28.2127	HCA2	1328	0	0	0	0.09	
-1330	H1A	SLES	1	-16.9103	13.7236	28.2912	HCA2	1328	0	0	0	0.09	
-1331	O1	SLES	1	-16.2234	11.8169	28.6133	OC30A	1328	1332	0	0	-0.34	
-1332	C1	SLES	1	-15.3783	12.0312	27.4243	CTL2	1331	1333	1334	1335	-0.18	
-1333	H11	SLES	1	-15.8567	12.8256	26.8233	HAL2	1332	0	0	0	0.09	
-1334	H12	SLES	1	-14.4555	12.4406	27.8849	HAL2	1332	0	0	0	0.09	
-1335	C2	SLES	1	-15.0146	10.808	26.4929	CTL2	1332	1336	1337	1338	-0.18	
-1336	H21	SLES	1	-15.5191	9.89375	26.8782	HAL2	1335	0	0	0	0.09	
-1337	H22	SLES	1	-13.9166	10.6363	26.534	HAL2	1335	0	0	0	0.09	
-1338	C3	SLES	1	-15.4537	11.0451	24.9666	CTL2	1335	1339	1340	1341	-0.18	
-1339	H31	SLES	1	-16.3721	10.4522	24.7587	HAL2	1338	0	0	0	0.09	
-1340	H32	SLES	1	-15.7008	12.1159	24.8239	HAL2	1338	0	0	0	0.09	
-1341	C4	SLES	1	-14.33	10.6336	23.9273	CTL2	1338	1342	1343	1344	-0.18	
-1342	H41	SLES	1	-14.5899	9.64794	23.488	HAL2	1341	0	0	0	0.09	
-1343	H42	SLES	1	-13.3611	10.5257	24.4609	HAL2	1341	0	0	0	0.09	
-1344	C5	SLES	1	-14.1589	11.6999	22.7532	CTL2	1341	1345	1346	1347	-0.18	
-1345	H51	SLES	1	-15.0657	12.3429	22.7117	HAL2	1344	0	0	0	0.09	
-1346	H52	SLES	1	-13.2861	12.3535	22.9812	HAL2	1344	0	0	0	0.09	
-1347	C6	SLES	1	-13.9435	11.0312	21.3433	CTL2	1344	1348	1349	1350	-0.18	
-1348	H61	SLES	1	-14.9031	10.5795	21.0056	HAL2	1347	0	0	0	0.09	
-1349	H62	SLES	1	-13.6581	11.8197	20.6084	HAL2	1347	0	0	0	0.09	
-1350	C7	SLES	1	-12.8389	9.92762	21.3592	CTL2	1347	1351	1352	1353	-0.18	
-1351	H71	SLES	1	-13.276	8.98241	21.7507	HAL2	1350	0	0	0	0.09	
-1352	H72	SLES	1	-12.0225	10.2397	22.048	HAL2	1350	0	0	0	0.09	
-1353	C8	SLES	1	-12.2407	9.66171	19.9553	CTL2	1350	1354	1355	1356	-0.18	
-1354	H81	SLES	1	-13.0704	9.57236	19.2169	HAL2	1353	0	0	0	0.09	
-1355	H82	SLES	1	-11.6083	10.5293	19.6589	HAL2	1353	0	0	0	0.09	
-1356	C9	SLES	1	-11.3835	8.37195	19.9118	CTL2	1353	1357	1358	1359	-0.18	
-1357	H91	SLES	1	-12.0085	7.50936	20.2368	HAL2	1356	0	0	0	0.09	
-1358	H92	SLES	1	-10.5386	8.47351	20.6297	HAL2	1356	0	0	0	0.09	
-1359	C10	SLES	1	-10.8159	8.08065	18.5024	CTL2	1356	1360	1361	1362	-0.18	
-1360	H10	SLES	1	-11.6617	7.95583	17.7884	HAL2	1359	0	0	0	0.09	
-1361	H10	SLES	1	-10.2088	8.9521	18.1676	HAL2	1359	0	0	0	0.09	
-1362	C11	SLES	1	-9.93268	6.80518	18.4695	CTL2	1359	1363	1364	1365	-0.18	
-1363	H11	SLES	1	-10.5462	5.93542	18.7985	HAL2	1362	0	0	0	0.09	
-1364	H11	SLES	1	-9.09878	6.92739	19.1979	HAL2	1362	0	0	0	0.09	
-1365	C12	SLES	1	-9.3347	6.495	17.0728	CTL3	1362	1366	1367	1368	-0.27	
-1366	H12	SLES	1	-9.66777	5.49274	16.7237	HAL3	1365	0	0	0	0.09	
-1367	H12	SLES	1	-8.22327	6.50339	17.1176	HAL3	1365	0	0	0	0.09	
-1368	H12	SLES	1	-9.66516	7.25588	16.3325	HAL3	1365	0	0	0	0.09	
-1369	NA	SLES	1	-11.4483	21.8082	36.68	NA	0	0	0	0	1	
-1370	S	SLES	1	-12.511	23.4747	33.6069	SL	1371	1372	1373	1374	1.33	
-1371	OS1	SLES	1	-11.5998	22.0695	33.6553	OSL	1370	1375	0	0	-0.28	
-1372	OS2	SLES	1	-13.7343	23.1931	34.3293	O2L	1370	0	0	0	-0.65	
-1373	OS3	SLES	1	-11.7421	24.4779	34.3131	O2L	1370	0	0	0	-0.65	
-1374	OS4	SLES	1	-12.8241	23.944	32.2667	O2L	1370	0	0	0	-0.65	
-1375	C2	SLES	1	-11.4721	21.4897	32.2886	CC32A	1371	1376	1377	1378	-0.11	
-1376	H2A	SLES	1	-12.4873	21.3207	31.8325	HCA2	1375	0	0	0	0.09	
-1377	H2B	SLES	1	-10.8998	22.2142	31.6453	HCA2	1375	0	0	0	0.09	
-1378	C1	SLES	1	-10.6802	20.1	32.3743	CC32A	1375	1379	1380	1381	-0.01	
-1379	H1B	SLES	1	-11.1986	19.4113	33.0806	HCA2	1378	0	0	0	0.09	
-1380	H1A	SLES	1	-9.64232	20.2765	32.7413	HCA2	1378	0	0	0	0.09	
-1381	O1	SLES	1	-10.5051	19.2705	31.1663	OC30A	1378	1382	0	0	-0.34	
-1382	C2	SLES	1	-10.7005	19.9292	29.8972	CC32A	1381	1383	1384	1385	-0.01	
-1383	H2A	SLES	1	-11.7559	20.2566	29.9734	HCA2	1382	0	0	0	0.09	
-1384	H2B	SLES	1	-10.0408	20.8215	29.9862	HCA2	1382	0	0	0	0.09	
-1385	C1	SLES	1	-10.468	19.2409	28.5154	CC32A	1382	1386	1387	1388	-0.01	
-1386	H1B	SLES	1	-11.4141	18.7736	28.1652	HCA2	1385	0	0	0	0.09	
-1387	H1A	SLES	1	-10.1534	20.0036	27.7751	HCA2	1385	0	0	0	0.09	
-1388	O1	SLES	1	-9.54573	18.121	28.3208	OC30A	1385	1389	0	0	-0.34	
-1389	C1	SLES	1	-8.93466	18.0421	26.9813	CTL2	1388	1390	1391	1392	-0.18	
-1390	H11	SLES	1	-9.4665	18.7656	26.3373	HAL2	1389	0	0	0	0.09	
-1391	H12	SLES	1	-7.91491	18.4294	27.1848	HAL2	1389	0	0	0	0.09	
-1392	C2	SLES	1	-8.84072	16.6469	26.2458	CTL2	1389	1393	1394	1395	-0.18	
-1393	H21	SLES	1	-9.32076	15.8678	26.8794	HAL2	1392	0	0	0	0.09	
-1394	H22	SLES	1	-7.76958	16.3752	26.1218	HAL2	1392	0	0	0	0.09	
-1395	C3	SLES	1	-9.55054	16.6617	24.8056	CTL2	1392	1396	1397	1398	-0.18	
-1396	H31	SLES	1	-10.5293	16.1375	24.8797	HAL2	1395	0	0	0	0.09	
-1397	H32	SLES	1	-9.74874	17.7116	24.5112	HAL2	1395	0	0	0	0.09	
-1398	C4	SLES	1	-8.67955	15.9671	23.6781	CTL2	1395	1399	1400	1401	-0.18	
-1399	H41	SLES	1	-9.08483	14.952	23.4849	HAL2	1398	0	0	0	0.09	
-1400	H42	SLES	1	-7.63505	15.8554	24.0408	HAL2	1398	0	0	0	0.09	
-1401	C5	SLES	1	-8.66863	16.7936	22.3137	CTL2	1398	1402	1403	1404	-0.18	
-1402	H51	SLES	1	-9.52137	17.5079	22.315	HAL2	1401	0	0	0	0.09	
-1403	H52	SLES	1	-7.72663	17.3854	22.2557	HAL2	1401	0	0	0	0.09	
-1404	C6	SLES	1	-8.77559	15.8748	21.0387	CTL2	1401	1405	1406	1407	-0.18	
-1405	H61	SLES	1	-9.81044	15.4708	20.9684	HAL2	1404	0	0	0	0.09	
-1406	H62	SLES	1	-8.58618	16.4928	20.1301	HAL2	1404	0	0	0	0.09	
-1407	C7	SLES	1	-7.76489	14.6847	21.0636	CTL2	1404	1408	1409	1410	-0.18	
-1408	H71	SLES	1	-8.17985	13.8695	21.6969	HAL2	1407	0	0	0	0.09	
-1409	H72	SLES	1	-6.81154	15.0265	21.5247	HAL2	1407	0	0	0	0.09	
-1410	C8	SLES	1	-7.4693	14.1232	19.6505	CTL2	1407	1411	1412	1413	-0.18	
-1411	H81	SLES	1	-8.43037	13.9925	19.1022	HAL2	1410	0	0	0	0.09	
-1412	H82	SLES	1	-6.84989	14.859	19.0888	HAL2	1410	0	0	0	0.09	
-1413	C9	SLES	1	-6.72458	12.7654	19.6972	CTL2	1410	1414	1415	1416	-0.18	
-1414	H91	SLES	1	-7.33089	12.0387	20.2842	HAL2	1413	0	0	0	0.09	
-1415	H92	SLES	1	-5.75173	12.903	20.2208	HAL2	1413	0	0	0	0.09	
-1416	C10	SLES	1	-6.46163	12.1811	18.289	CTL2	1413	1417	1418	1419	-0.18	
-1417	H10	SLES	1	-7.4362	12.0215	17.7737	HAL2	1416	0	0	0	0.09	
-1418	H10	SLES	1	-5.87429	12.9166	17.694	HAL2	1416	0	0	0	0.09	
-1419	C11	SLES	1	-5.68857	10.8365	18.3385	CTL2	1416	1420	1421	1422	-0.18	
-1420	H11	SLES	1	-6.28321	10.1023	18.9288	HAL2	1419	0	0	0	0.09	
-1421	H11	SLES	1	-4.72305	10.9972	18.8703	HAL2	1419	0	0	0	0.09	
-1422	C12	SLES	1	-5.39467	10.2328	16.9407	CTL3	1419	1423	1424	1425	-0.27	
-1423	H12	SLES	1	-5.85513	9.22423	16.8507	HAL3	1422	0	0	0	0.09	
-1424	H12	SLES	1	-4.29758	10.1368	16.7841	HAL3	1422	0	0	0	0.09	
-1425	H12	SLES	1	-5.81088	10.8848	16.1421	HAL3	1422	0	0	0	0.09	
-1426	NA	SLES	1	-0.232203	25.4495	36.1158	NA	0	0	0	0	1	
-1427	S	SLES	1	-1.8995	26.9811	33.248	SL	1428	1429	1430	1431	1.33	
-1428	OS1	SLES	1	-1.11432	25.5015	33.2074	OSL	1427	1432	0	0	-0.28	
-1429	OS2	SLES	1	-2.92118	26.8733	34.2688	O2L	1427	0	0	0	-0.65	
-1430	OS3	SLES	1	-0.904676	27.9541	33.648	O2L	1427	0	0	0	-0.65	
-1431	OS4	SLES	1	-2.50098	27.3789	31.9853	O2L	1427	0	0	0	-0.65	
-1432	C2	SLES	1	-1.37657	24.8133	31.912	CC32A	1428	1433	1434	1435	-0.11	
-1433	H2A	SLES	1	-2.48331	24.7105	31.7339	HCA2	1432	0	0	0	0.09	
-1434	H2B	SLES	1	-0.929841	25.4296	31.0833	HCA2	1432	0	0	0	0.09	
-1435	C1	SLES	1	-0.696159	23.3633	31.935	CC32A	1432	1436	1437	1438	-0.01	
-1436	H1B	SLES	1	-1.07225	22.7819	32.8081	HCA2	1435	0	0	0	0.09	
-1437	H1A	SLES	1	0.410847	23.4649	32.0209	HCA2	1435	0	0	0	0.09	
-1438	O1	SLES	1	-0.891874	22.4344	30.8051	OC30A	1435	1439	0	0	-0.34	
-1439	C2	SLES	1	-1.34761	23.014	29.5645	CC32A	1438	1440	1441	1442	-0.01	
-1440	H2A	SLES	1	-2.32253	23.4469	29.8628	HCA2	1439	0	0	0	0.09	
-1441	H2B	SLES	1	-0.620875	23.8422	29.4056	HCA2	1439	0	0	0	0.09	
-1442	C1	SLES	1	-1.52066	22.2068	28.2394	CC32A	1439	1443	1444	1445	-0.01	
-1443	H1B	SLES	1	-2.55684	21.809	28.1751	HCA2	1442	0	0	0	0.09	
-1444	H1A	SLES	1	-1.34406	22.8789	27.3759	HCA2	1442	0	0	0	0.09	
-1445	O1	SLES	1	-0.763907	20.9914	27.9345	OC30A	1442	1446	0	0	-0.34	
-1446	C1	SLES	1	-0.514712	20.7555	26.5006	CTL2	1445	1447	1448	1449	-0.18	
-1447	H11	SLES	1	-1.13413	21.478	25.9389	HAL2	1446	0	0	0	0.09	
-1448	H12	SLES	1	0.549871	21.0559	26.4129	HAL2	1446	0	0	0	0.09	
-1449	C2	SLES	1	-0.713624	19.3076	25.9004	CTL2	1446	1450	1451	1452	-0.18	
-1450	H21	SLES	1	-1.07781	18.6273	26.7025	HAL2	1449	0	0	0	0.09	
-1451	H22	SLES	1	0.268738	18.9248	25.5467	HAL2	1449	0	0	0	0.09	
-1452	C3	SLES	1	-1.75755	19.2854	24.6805	CTL2	1449	1453	1454	1455	-0.18	
-1453	H31	SLES	1	-2.7236	18.8655	25.0392	HAL2	1452	0	0	0	0.09	
-1454	H32	SLES	1	-1.94278	20.3252	24.3445	HAL2	1452	0	0	0	0.09	
-1455	C4	SLES	1	-1.25116	18.4287	23.4468	CTL2	1452	1456	1457	1458	-0.18	
-1456	H41	SLES	1	-1.76768	17.4462	23.455	HAL2	1455	0	0	0	0.09	
-1457	H42	SLES	1	-0.16075	18.2431	23.5544	HAL2	1455	0	0	0	0.09	
-1458	C5	SLES	1	-1.51884	19.1478	22.0483	CTL2	1455	1459	1460	1461	-0.18	
-1459	H51	SLES	1	-2.28748	19.9397	22.1883	HAL2	1458	0	0	0	0.09	
-1460	H52	SLES	1	-0.579128	19.6396	21.7076	HAL2	1458	0	0	0	0.09	
-1461	C6	SLES	1	-2.01036	18.1526	20.9305	CTL2	1458	1462	1463	1464	-0.18	
-1462	H61	SLES	1	-3.05751	17.8468	21.152	HAL2	1461	0	0	0	0.09	
-1463	H62	SLES	1	-2.00766	18.681	19.9486	HAL2	1461	0	0	0	0.09	
-1464	C7	SLES	1	-1.11877	16.8752	20.8227	CTL2	1461	1465	1466	1467	-0.18	
-1465	H71	SLES	1	-1.42293	16.1528	21.6123	HAL2	1464	0	0	0	0.09	
-1466	H72	SLES	1	-0.057347	17.1558	21.0043	HAL2	1464	0	0	0	0.09	
-1467	C8	SLES	1	-1.2291	16.1854	19.4401	CTL2	1464	1468	1469	1470	-0.18	
-1468	H81	SLES	1	-2.30374	16.1087	19.1561	HAL2	1467	0	0	0	0.09	
-1469	H82	SLES	1	-0.71571	16.8144	18.6777	HAL2	1467	0	0	0	0.09	
-1470	C9	SLES	1	-0.601542	14.7689	19.4338	CTL2	1467	1471	1472	1473	-0.18	
-1471	H91	SLES	1	-1.09526	14.1495	20.2167	HAL2	1470	0	0	0	0.09	
-1472	H92	SLES	1	0.478811	14.8495	19.6904	HAL2	1470	0	0	0	0.09	
-1473	C10	SLES	1	-0.743865	14.06	18.0661	CTL2	1470	1474	1475	1476	-0.18	
-1474	H10	SLES	1	-1.82548	13.9583	17.82	HAL2	1473	0	0	0	0.09	
-1475	H10	SLES	1	-0.269787	14.6894	17.2792	HAL2	1473	0	0	0	0.09	
-1476	C11	SLES	1	-0.0872653	12.6541	18.0543	CTL2	1473	1477	1478	1479	-0.18	
-1477	H11	SLES	1	-0.569466	12.0264	18.8382	HAL2	1476	0	0	0	0.09	
-1478	H11	SLES	1	0.989839	12.759	18.3184	HAL2	1476	0	0	0	0.09	
-1479	C12	SLES	1	-0.198585	11.9238	16.6909	CTL3	1476	1480	1481	1482	-0.27	
-1480	H12	SLES	1	-0.742056	10.9607	16.8116	HAL3	1479	0	0	0	0.09	
-1481	H12	SLES	1	0.814019	11.7106	16.2828	HAL3	1479	0	0	0	0.09	
-1482	H12	SLES	1	-0.750439	12.5527	15.9587	HAL3	1479	0	0	0	0.09	
-1483	NA	SLES	1	11.4964	23.9735	35.2872	NA	0	0	0	0	1	
-1484	S	SLES	1	9.29212	25.751	32.9781	SL	1485	1486	1487	1488	1.33	
-1485	OS1	SLES	1	9.89931	24.2123	32.7119	OSL	1484	1489	0	0	-0.28	
-1486	OS2	SLES	1	8.5645	25.6922	34.2289	O2L	1484	0	0	0	-0.65	
-1487	OS3	SLES	1	10.4424	26.6193	33.1181	O2L	1484	0	0	0	-0.65	
-1488	OS4	SLES	1	8.42349	26.2471	31.9226	O2L	1484	0	0	0	-0.65	
-1489	C2	SLES	1	9.24767	23.5992	31.5203	CC32A	1485	1490	1491	1492	-0.11	
-1490	H2A	SLES	1	8.12798	23.5985	31.6364	HCA2	1489	0	0	0	0.09	
-1491	H2B	SLES	1	9.51947	24.2063	30.6127	HCA2	1489	0	0	0	0.09	
-1492	C1	SLES	1	9.77335	22.0965	31.3433	CC32A	1489	1493	1494	1495	-0.01	
-1493	H1B	SLES	1	9.58418	21.5164	32.2757	HCA2	1492	0	0	0	0.09	
-1494	H1A	SLES	1	10.8693	22.0995	31.1381	HCA2	1492	0	0	0	0.09	
-1495	O1	SLES	1	9.20624	21.2317	30.2905	OC30A	1492	1496	0	0	-0.34	
-1496	C2	SLES	1	8.50029	21.8953	29.2209	CC32A	1495	1497	1498	1499	-0.01	
-1497	H2A	SLES	1	7.68047	22.3984	29.7701	HCA2	1496	0	0	0	0.09	
-1498	H2B	SLES	1	9.23454	22.6637	28.8896	HCA2	1496	0	0	0	0.09	
-1499	C1	SLES	1	7.91567	21.1573	27.9756	CC32A	1496	1500	1501	1502	-0.01	
-1500	H1B	SLES	1	6.86597	20.8525	28.1787	HCA2	1499	0	0	0	0.09	
-1501	H1A	SLES	1	7.92393	21.8444	27.1058	HCA2	1499	0	0	0	0.09	
-1502	O1	SLES	1	8.4515	19.8941	27.4656	OC30A	1499	1503	0	0	-0.34	
-1503	C1	SLES	1	8.29754	19.6928	26.0131	CTL2	1502	1504	1505	1506	-0.18	
-1504	H11	SLES	1	7.62345	20.4867	25.6436	HAL2	1503	0	0	0	0.09	
-1505	H12	SLES	1	9.32614	19.9041	25.6544	HAL2	1503	0	0	0	0.09	
-1506	C2	SLES	1	7.81655	18.2913	25.4647	CTL2	1503	1507	1508	1509	-0.18	
-1507	H21	SLES	1	7.61128	17.6145	26.3242	HAL2	1506	0	0	0	0.09	
-1508	H22	SLES	1	8.63383	17.8397	24.8608	HAL2	1506	0	0	0	0.09	
-1509	C3	SLES	1	6.49472	18.4054	24.5602	CTL2	1506	1510	1511	1512	-0.18	
-1510	H31	SLES	1	5.62004	18.0563	25.1529	HAL2	1509	0	0	0	0.09	
-1511	H32	SLES	1	6.32594	19.4693	24.2996	HAL2	1509	0	0	0	0.09	
-1512	C4	SLES	1	6.58239	17.5564	23.2246	CTL2	1509	1513	1514	1515	-0.18	
-1513	H41	SLES	1	5.99689	16.6222	23.3533	HAL2	1512	0	0	0	0.09	
-1514	H42	SLES	1	7.64137	17.2741	23.0405	HAL2	1512	0	0	0	0.09	
-1515	C5	SLES	1	6.02923	18.3488	21.9554	CTL2	1512	1516	1517	1518	-0.18	
-1516	H51	SLES	1	5.39999	19.1977	22.3033	HAL2	1515	0	0	0	0.09	
-1517	H52	SLES	1	6.88992	18.771	21.388	HAL2	1515	0	0	0	0.09	
-1518	C6	SLES	1	5.17475	17.4429	20.9908	CTL2	1515	1519	1520	1521	-0.18	
-1519	H61	SLES	1	4.1971	17.2197	21.4739	HAL2	1518	0	0	0	0.09	
-1520	H62	SLES	1	4.97181	18.0063	20.0502	HAL2	1518	0	0	0	0.09	
-1521	C7	SLES	1	5.88555	16.0989	20.6348	CTL2	1518	1522	1523	1524	-0.18	
-1522	H71	SLES	1	5.73082	15.3755	21.4658	HAL2	1521	0	0	0	0.09	
-1523	H72	SLES	1	6.97904	16.2804	20.5365	HAL2	1521	0	0	0	0.09	
-1524	C8	SLES	1	5.3572	15.4745	19.3193	CTL2	1521	1525	1526	1527	-0.18	
-1525	H81	SLES	1	4.24335	15.5011	19.3252	HAL2	1524	0	0	0	0.09	
-1526	H82	SLES	1	5.71144	16.086	18.4584	HAL2	1524	0	0	0	0.09	
-1527	C9	SLES	1	5.82757	14.0108	19.1283	CTL2	1524	1528	1529	1530	-0.18	
-1528	H91	SLES	1	5.49843	13.4064	20.0039	HAL2	1527	0	0	0	0.09	
-1529	H92	SLES	1	6.94016	13.9887	19.0945	HAL2	1527	0	0	0	0.09	
-1530	C10	SLES	1	5.27055	13.3696	17.8352	CTL2	1527	1531	1532	1533	-0.18	
-1531	H10	SLES	1	4.15751	13.3704	17.8792	HAL2	1530	0	0	0	0.09	
-1532	H10	SLES	1	5.58071	13.9858	16.961	HAL2	1530	0	0	0	0.09	
-1533	C11	SLES	1	5.7684	11.9141	17.6315	CTL2	1530	1534	1535	1536	-0.18	
-1534	H11	SLES	1	5.44983	11.3004	18.505	HAL2	1533	0	0	0	0.09	
-1535	H11	SLES	1	6.88208	11.9162	17.6062	HAL2	1533	0	0	0	0.09	
-1536	C12	SLES	1	5.24032	11.2487	16.3342	CTL3	1533	1537	1538	1539	-0.27	
-1537	H12	SLES	1	4.65986	10.3319	16.5787	HAL3	1536	0	0	0	0.09	
-1538	H12	SLES	1	6.08828	10.9654	15.6724	HAL3	1536	0	0	0	0.09	
-1539	H12	SLES	1	4.57832	11.9502	15.7812	HAL3	1536	0	0	0	0.09	
-1540	NA	SLES	1	21.5261	17.7294	34.2692	NA	0	0	0	0	1	
-1541	S	SLES	1	19.0692	19.9824	32.7732	SL	1542	1543	1544	1545	1.33	
-1542	OS1	SLES	1	19.4337	18.4555	32.1873	OSL	1541	1546	0	0	-0.28	
-1543	OS2	SLES	1	18.6345	19.8011	34.1428	O2L	1541	0	0	0	-0.65	
-1544	OS3	SLES	1	20.3083	20.731	32.745	O2L	1541	0	0	0	-0.65	
-1545	OS4	SLES	1	18.0469	20.6892	32.0185	O2L	1541	0	0	0	-0.65	
-1546	C2	SLES	1	18.4726	18.0709	31.1155	CC32A	1542	1547	1548	1549	-0.11	
-1547	H2A	SLES	1	17.4129	18.1394	31.4892	HCA2	1546	0	0	0	0.09	
-1548	H2B	SLES	1	18.6002	18.779	30.2503	HCA2	1546	0	0	0	0.09	
-1549	C1	SLES	1	18.7817	16.5732	30.6391	CC32A	1546	1550	1551	1552	-0.01	
-1550	H1B	SLES	1	18.7425	15.8819	31.5122	HCA2	1549	0	0	0	0.09	
-1551	H1A	SLES	1	19.7988	16.5215	30.1853	HCA2	1549	0	0	0	0.09	
-1552	O1	SLES	1	17.9062	15.9138	29.6508	OC30A	1549	1553	0	0	-0.34	
-1553	C2	SLES	1	17.0564	16.7756	28.8648	CC32A	1552	1554	1555	1556	-0.01	
-1554	H2A	SLES	1	16.4373	17.2563	29.6475	HCA2	1553	0	0	0	0.09	
-1555	H2B	SLES	1	17.7771	17.525	28.4671	HCA2	1553	0	0	0	0.09	
-1556	C1	SLES	1	16.1349	16.2702	27.7104	CC32A	1553	1557	1558	1559	-0.01	
-1557	H1B	SLES	1	15.1297	16.0208	28.1147	HCA2	1556	0	0	0	0.09	
-1558	H1A	SLES	1	16.0241	17.072	26.9531	HCA2	1556	0	0	0	0.09	
-1559	O1	SLES	1	16.4058	15.0557	26.9395	OC30A	1556	1560	0	0	-0.34	
-1560	C1	SLES	1	15.9135	15.0766	25.5498	CTL2	1559	1561	1562	1563	-0.18	
-1561	H11	SLES	1	15.2635	15.9644	25.4476	HAL2	1560	0	0	0	0.09	
-1562	H12	SLES	1	16.8538	15.2576	24.9891	HAL2	1560	0	0	0	0.09	
-1563	C2	SLES	1	15.1755	13.8089	24.9628	CTL2	1560	1564	1565	1566	-0.18	
-1564	H21	SLES	1	15.0942	13.0339	25.7575	HAL2	1563	0	0	0	0.09	
-1565	H22	SLES	1	15.7856	13.387	24.1342	HAL2	1563	0	0	0	0.09	
-1566	C3	SLES	1	13.7063	14.152	24.4131	CTL2	1563	1567	1568	1569	-0.18	
-1567	H31	SLES	1	12.9523	13.7898	25.1469	HAL2	1566	0	0	0	0.09	
-1568	H32	SLES	1	13.5992	15.252	24.3306	HAL2	1566	0	0	0	0.09	
-1569	C4	SLES	1	13.4046	13.4985	23.001	CTL2	1566	1570	1571	1572	-0.18	
-1570	H41	SLES	1	12.7653	12.6031	23.1483	HAL2	1569	0	0	0	0.09	
-1571	H42	SLES	1	14.36	13.1652	22.5414	HAL2	1569	0	0	0	0.09	
-1572	C5	SLES	1	12.6725	14.5043	22.0024	CTL2	1569	1573	1574	1575	-0.18	
-1573	H51	SLES	1	12.2306	15.3403	22.5883	HAL2	1572	0	0	0	0.09	
-1574	H52	SLES	1	13.4264	14.9361	21.3052	HAL2	1572	0	0	0	0.09	
-1575	C6	SLES	1	11.5336	13.8138	21.1614	CTL2	1572	1576	1577	1578	-0.18	
-1576	H61	SLES	1	10.6689	13.5993	21.8288	HAL2	1575	0	0	0	0.09	
-1577	H62	SLES	1	11.1891	14.5198	20.37	HAL2	1575	0	0	0	0.09	
-1578	C7	SLES	1	11.9995	12.4841	20.4883	CTL2	1575	1579	1580	1581	-0.18	
-1579	H71	SLES	1	11.9559	11.6632	21.238	HAL2	1578	0	0	0	0.09	
-1580	H72	SLES	1	13.0571	12.5935	20.1599	HAL2	1578	0	0	0	0.09	
-1581	C8	SLES	1	11.1292	12.0966	19.2668	CTL2	1578	1582	1583	1584	-0.18	
-1582	H81	SLES	1	10.0538	12.2072	19.5361	HAL2	1581	0	0	0	0.09	
-1583	H82	SLES	1	11.3476	12.7959	18.4279	HAL2	1581	0	0	0	0.09	
-1584	C9	SLES	1	11.3858	10.6435	18.7945	CTL2	1581	1585	1586	1587	-0.18	
-1585	H91	SLES	1	11.1958	9.94711	19.6426	HAL2	1584	0	0	0	0.09	
-1586	H92	SLES	1	12.4544	10.5413	18.4991	HAL2	1584	0	0	0	0.09	
-1587	C10	SLES	1	10.4909	10.2384	17.5993	CTL2	1584	1588	1589	1590	-0.18	
-1588	H10	SLES	1	9.42188	10.3181	17.902	HAL2	1587	0	0	0	0.09	
-1589	H10	SLES	1	10.6641	10.9477	16.7585	HAL2	1587	0	0	0	0.09	
-1590	C11	SLES	1	10.7722	8.79317	17.1093	CTL2	1587	1591	1592	1593	-0.18	
-1591	H11	SLES	1	10.5909	8.0871	17.9518	HAL2	1590	0	0	0	0.09	
-1592	H11	SLES	1	11.8463	8.71357	16.8248	HAL2	1590	0	0	0	0.09	
-1593	C12	SLES	1	9.9018	8.36259	15.9004	CTL3	1590	1594	1595	1596	-0.27	
-1594	H12	SLES	1	9.29494	7.46736	16.1604	HAL3	1593	0	0	0	0.09	
-1595	H12	SLES	1	10.5468	8.11272	15.0293	HAL3	1593	0	0	0	0.09	
-1596	H12	SLES	1	9.21299	9.18454	15.607	HAL3	1593	0	0	0	0.09	
-1597	NA	SLES	1	28.0881	7.93943	33.1679	NA	0	0	0	0	1	
-1598	S	SLES	1	25.708	10.6525	32.5981	SL	1599	1600	1601	1602	1.33	
-1599	OS1	SLES	1	25.8114	9.2706	31.6563	OSL	1598	1603	0	0	-0.28	
-1600	OS2	SLES	1	25.4579	10.2057	33.9528	O2L	1598	0	0	0	-0.65	
-1601	OS3	SLES	1	27.0058	11.2901	32.5217	O2L	1598	0	0	0	-0.65	
-1602	OS4	SLES	1	24.6728	11.5867	32.1857	O2L	1598	0	0	0	-0.65	
-1603	C2	SLES	1	24.6688	9.20974	30.7018	CC32A	1599	1604	1605	1606	-0.11	
-1604	H2A	SLES	1	23.6885	9.27553	31.2512	HCA2	1603	0	0	0	0.09	
-1605	H2B	SLES	1	24.7486	10.0803	29.9933	HCA2	1603	0	0	0	0.09	
-1606	C1	SLES	1	24.7369	7.83604	29.8807	CC32A	1603	1607	1608	1609	-0.01	
-1607	H1B	SLES	1	24.7472	6.97312	30.5858	HCA2	1606	0	0	0	0.09	
-1608	H1A	SLES	1	25.6657	7.80768	29.2646	HCA2	1606	0	0	0	0.09	
-1609	O1	SLES	1	23.6599	7.48296	28.9356	OC30A	1606	1610	0	0	-0.34	
-1610	C2	SLES	1	22.8071	8.56126	28.4967	CC32A	1609	1611	1612	1613	-0.01	
-1611	H2A	SLES	1	22.365	8.90258	29.4532	HCA2	1610	0	0	0	0.09	
-1612	H2B	SLES	1	23.542	9.32201	28.1496	HCA2	1610	0	0	0	0.09	
-1613	C1	SLES	1	21.6781	8.39837	27.4308	CC32A	1610	1614	1615	1616	-0.01	
-1614	H1B	SLES	1	20.7203	8.14416	27.9347	HCA2	1613	0	0	0	0.09	
-1615	H1A	SLES	1	21.5494	9.35453	26.8851	HCA2	1613	0	0	0	0.09	
-1616	O1	SLES	1	21.6977	7.36834	26.3909	OC30A	1613	1617	0	0	-0.34	
-1617	C1	SLES	1	21.0155	7.73582	25.1365	CTL2	1616	1618	1619	1620	-0.18	
-1618	H11	SLES	1	20.4607	8.67191	25.3293	HAL2	1617	0	0	0	0.09	
-1619	H12	SLES	1	21.8793	7.96334	24.4782	HAL2	1617	0	0	0	0.09	
-1620	C2	SLES	1	20.0637	6.69165	24.4293	CTL2	1617	1621	1622	1623	-0.18	
-1621	H21	SLES	1	20.0119	5.76809	25.0483	HAL2	1620	0	0	0	0.09	
-1622	H22	SLES	1	20.4969	6.41842	23.4422	HAL2	1620	0	0	0	0.09	
-1623	C3	SLES	1	18.5782	7.26151	24.2129	CTL2	1620	1624	1625	1626	-0.18	
-1624	H31	SLES	1	17.9022	6.80489	24.9698	HAL2	1623	0	0	0	0.09	
-1625	H32	SLES	1	18.5837	8.3572	24.3792	HAL2	1623	0	0	0	0.09	
-1626	C4	SLES	1	18.0048	6.96378	22.7655	CTL2	1623	1627	1628	1629	-0.18	
-1627	H41	SLES	1	17.2976	6.11046	22.8274	HAL2	1626	0	0	0	0.09	
-1628	H42	SLES	1	18.8407	6.66775	22.0957	HAL2	1626	0	0	0	0.09	
-1629	C5	SLES	1	17.2532	8.22018	22.1321	CTL2	1626	1630	1631	1632	-0.18	
-1630	H51	SLES	1	16.9966	8.93675	22.9433	HAL2	1629	0	0	0	0.09	
-1631	H52	SLES	1	17.9421	8.73624	21.4249	HAL2	1629	0	0	0	0.09	
-1632	C6	SLES	1	15.9349	7.8245	21.3659	CTL2	1629	1633	1634	1635	-0.18	
-1633	H61	SLES	1	15.1572	7.53482	22.1077	HAL2	1632	0	0	0	0.09	
-1634	H62	SLES	1	15.5609	8.71339	20.806	HAL2	1632	0	0	0	0.09	
-1635	C7	SLES	1	16.1476	6.64562	20.3642	CTL2	1632	1636	1637	1638	-0.18	
-1636	H71	SLES	1	16.1212	5.68461	20.9242	HAL2	1635	0	0	0	0.09	
-1637	H72	SLES	1	17.1523	6.74281	19.8957	HAL2	1635	0	0	0	0.09	
-1638	C8	SLES	1	15.0724	6.6082	19.2497	CTL2	1635	1639	1640	1641	-0.18	
-1639	H81	SLES	1	14.0662	6.73942	19.7098	HAL2	1638	0	0	0	0.09	
-1640	H82	SLES	1	15.2441	7.45745	18.5498	HAL2	1638	0	0	0	0.09	
-1641	C9	SLES	1	15.0944	5.28107	18.4506	CTL2	1638	1642	1643	1644	-0.18	
-1642	H91	SLES	1	14.9521	4.43049	19.1553	HAL2	1641	0	0	0	0.09	
-1643	H92	SLES	1	16.091	5.16442	17.9682	HAL2	1641	0	0	0	0.09	
-1644	C10	SLES	1	13.9968	5.22263	17.3619	CTL2	1641	1645	1646	1647	-0.18	
-1645	H10	SLES	1	12.9983	5.31588	17.8467	HAL2	1644	0	0	0	0.09	
-1646	H10	SLES	1	14.125	6.08541	16.6696	HAL2	1644	0	0	0	0.09	
-1647	C11	SLES	1	14.0414	3.90512	16.5433	CTL2	1644	1648	1649	1650	-0.18	
-1648	H11	SLES	1	13.9059	3.04569	17.2391	HAL2	1647	0	0	0	0.09	
-1649	H11	SLES	1	15.0475	3.80755	16.0752	HAL2	1647	0	0	0	0.09	
-1650	C12	SLES	1	12.9631	3.82305	15.4319	CTL3	1647	1651	1652	1653	-0.27	
-1651	H12	SLES	1	12.304	2.94234	15.5971	HAL3	1650	0	0	0	0.09	
-1652	H12	SLES	1	13.4437	3.72375	14.4336	HAL3	1650	0	0	0	0.09	
-1653	H12	SLES	1	12.3353	4.74062	15.4331	HAL3	1650	0	0	0	0.09	
-1654	NA	SLES	1	30.1403	-3.63027	32.1008	NA	0	0	0	0	1	
-1655	S	SLES	1	28.0355	-0.659928	32.4127	SL	1656	1657	1658	1659	1.33	
-1656	OS1	SLES	1	27.9538	-1.74887	31.142	OSL	1655	1660	0	0	-0.28	
-1657	OS2	SLES	1	27.7975	-1.42309	33.6204	O2L	1655	0	0	0	-0.65	
-1658	OS3	SLES	1	29.3885	-0.144284	32.415	O2L	1655	0	0	0	-0.65	
-1659	OS4	SLES	1	27.0874	0.439166	32.3265	O2L	1655	0	0	0	-0.65	
-1660	C2	SLES	1	26.7719	-1.45328	30.2841	CC32A	1656	1661	1662	1663	-0.11	
-1661	H2A	SLES	1	25.8279	-1.44635	30.8973	HCA2	1660	0	0	0	0.09	
-1662	H2B	SLES	1	26.9123	-0.437812	29.82	HCA2	1660	0	0	0	0.09	
-1663	C1	SLES	1	26.6609	-2.56289	29.1342	CC32A	1660	1664	1665	1666	-0.01	
-1664	H1B	SLES	1	26.6106	-3.57819	29.5907	HCA2	1663	0	0	0	0.09	
-1665	H1A	SLES	1	27.5549	-2.51167	28.4698	HCA2	1663	0	0	0	0.09	
-1666	O1	SLES	1	25.5139	-2.55636	28.2056	OC30A	1663	1667	0	0	-0.34	
-1667	C2	SLES	1	24.761	-1.32831	28.1184	CC32A	1666	1668	1669	1670	-0.01	
-1668	H2A	SLES	1	24.3978	-1.21231	29.1584	HCA2	1667	0	0	0	0.09	
-1669	H2B	SLES	1	25.5563	-0.572431	27.9298	HCA2	1667	0	0	0	0.09	
-1670	C1	SLES	1	23.5772	-1.10265	27.126	CC32A	1667	1671	1672	1673	-0.01	
-1671	H1B	SLES	1	22.6201	-1.39317	27.6115	HCA2	1670	0	0	0	0.09	
-1672	H1A	SLES	1	23.5264	-0.0290386	26.8552	HCA2	1670	0	0	0	0.09	
-1673	O1	SLES	1	23.4449	-1.8202	25.857	OC30A	1670	1674	0	0	-0.34	
-1674	C1	SLES	1	22.7525	-1.07572	24.7891	CTL2	1673	1675	1676	1677	-0.18	
-1675	H11	SLES	1	22.3075	-0.17734	25.2539	HAL2	1674	0	0	0	0.09	
-1676	H12	SLES	1	23.6068	-0.761764	24.1544	HAL2	1674	0	0	0	0.09	
-1677	C2	SLES	1	21.6677	-1.80692	23.9033	CTL2	1674	1678	1679	1680	-0.18	
-1678	H21	SLES	1	21.5456	-2.85226	24.2655	HAL2	1677	0	0	0	0.09	
-1679	H22	SLES	1	22.0278	-1.84868	22.8521	HAL2	1677	0	0	0	0.09	
-1680	C3	SLES	1	20.2421	-1.06882	23.9428	CTL2	1677	1681	1682	1683	-0.18	
-1681	H31	SLES	1	19.5547	-1.6457	24.6007	HAL2	1680	0	0	0	0.09	
-1682	H32	SLES	1	20.3694	-0.0605928	24.3849	HAL2	1680	0	0	0	0.09	
-1683	C4	SLES	1	19.5802	-0.922354	22.5101	CTL2	1680	1684	1685	1686	-0.18	
-1684	H41	SLES	1	18.7907	-1.69459	22.398	HAL2	1683	0	0	0	0.09	
-1685	H42	SLES	1	20.3514	-1.10572	21.7312	HAL2	1683	0	0	0	0.09	
-1686	C5	SLES	1	18.9382	0.518851	22.2744	CTL2	1683	1687	1688	1689	-0.18	
-1687	H51	SLES	1	18.7925	1.01681	23.2584	HAL2	1686	0	0	0	0.09	
-1688	H52	SLES	1	19.6468	1.13858	21.6789	HAL2	1686	0	0	0	0.09	
-1689	C6	SLES	1	17.5546	0.459099	21.5238	CTL2	1686	1690	1691	1692	-0.18	
-1690	H61	SLES	1	16.7828	0.0557158	22.2171	HAL2	1689	0	0	0	0.09	
-1691	H62	SLES	1	17.2523	1.49391	21.2387	HAL2	1689	0	0	0	0.09	
-1692	C7	SLES	1	17.6001	-0.428882	20.2401	CTL2	1689	1693	1694	1695	-0.18	
-1693	H71	SLES	1	17.4969	-1.49693	20.534	HAL2	1692	0	0	0	0.09	
-1694	H72	SLES	1	18.5888	-0.302743	19.7452	HAL2	1692	0	0	0	0.09	
-1695	C8	SLES	1	16.4808	-0.074747	19.2295	CTL2	1692	1696	1697	1698	-0.18	
-1696	H81	SLES	1	15.5142	0.0208552	19.7753	HAL2	1695	0	0	0	0.09	
-1697	H82	SLES	1	16.7108	0.909696	18.762	HAL2	1695	0	0	0	0.09	
-1698	C9	SLES	1	16.3299	-1.14125	18.1159	CTL2	1695	1699	1700	1701	-0.18	
-1699	H91	SLES	1	16.1293	-2.13089	18.5857	HAL2	1698	0	0	0	0.09	
-1700	H92	SLES	1	17.2876	-1.21613	17.553	HAL2	1698	0	0	0	0.09	
-1701	C10	SLES	1	15.1873	-0.81207	17.1262	CTL2	1698	1702	1703	1704	-0.18	
-1702	H10	SLES	1	14.2254	-0.760143	17.6856	HAL2	1701	0	0	0	0.09	
-1703	H10	SLES	1	15.3758	0.187271	16.6725	HAL2	1701	0	0	0	0.09	
-1704	C11	SLES	1	15.059	-1.86624	15.9947	CTL2	1701	1705	1706	1707	-0.18	
-1705	H11	SLES	1	14.8638	-2.86264	16.4532	HAL2	1704	0	0	0	0.09	
-1706	H11	SLES	1	16.0288	-1.92741	15.4499	HAL2	1704	0	0	0	0.09	
-1707	C12	SLES	1	13.9321	-1.55555	14.9759	CTL3	1704	1708	1709	1710	-0.27	
-1708	H12	SLES	1	13.192	-2.38563	14.9531	HAL3	1707	0	0	0	0.09	
-1709	H12	SLES	1	14.3571	-1.43156	13.9554	HAL3	1707	0	0	0	0.09	
-1710	H12	SLES	1	13.4045	-0.61796	15.2562	HAL3	1707	0	0	0	0.09	
-1711	NA	SLES	1	27.4546	-15.0445	31.1768	NA	0	0	0	0	1	
-1712	S	SLES	1	25.6188	-12.0487	32.1794	SL	1713	1714	1715	1716	1.33	
-1713	OS1	SLES	1	25.5216	-12.7555	30.6634	OSL	1712	1717	0	0	-0.28	
-1714	OS2	SLES	1	25.2305	-13.0689	33.1313	O2L	1712	0	0	0	-0.65	
-1715	OS3	SLES	1	27.0107	-11.6995	32.3725	O2L	1712	0	0	0	-0.65	
-1716	OS4	SLES	1	24.7849	-10.8697	32.3493	O2L	1712	0	0	0	-0.65	
-1717	C2	SLES	1	24.4323	-12.1224	29.8677	CC32A	1713	1718	1719	1720	-0.11	
-1718	H2A	SLES	1	23.4541	-12.1736	30.4224	HCA2	1717	0	0	0	0.09	
-1719	H2B	SLES	1	24.6973	-11.0425	29.6952	HCA2	1717	0	0	0	0.09	
-1720	C1	SLES	1	24.296	-12.8772	28.4615	CC32A	1717	1721	1722	1723	-0.01	
-1721	H1B	SLES	1	24.121	-13.9647	28.6304	HCA2	1720	0	0	0	0.09	
-1722	H1A	SLES	1	25.2333	-12.7517	27.8708	HCA2	1720	0	0	0	0.09	
-1723	O1	SLES	1	23.2194	-12.5071	27.5225	OC30A	1720	1724	0	0	-0.34	
-1724	C2	SLES	1	22.5914	-11.225	27.7335	CC32A	1723	1725	1726	1727	-0.01	
-1725	H2A	SLES	1	22.1717	-11.3445	28.7516	HCA2	1724	0	0	0	0.09	
-1726	H2B	SLES	1	23.4643	-10.5359	27.784	HCA2	1724	0	0	0	0.09	
-1727	C1	SLES	1	21.5028	-10.624	26.7896	CC32A	1724	1728	1729	1730	-0.01	
-1728	H1B	SLES	1	20.4925	-10.9261	27.142	HCA2	1727	0	0	0	0.09	
-1729	H1A	SLES	1	21.5702	-9.51782	26.811	HCA2	1727	0	0	0	0.09	
-1730	O1	SLES	1	21.3897	-10.9693	25.3716	OC30A	1727	1731	0	0	-0.34	
-1731	C1	SLES	1	20.8426	-9.9035	24.5121	CTL2	1730	1732	1733	1734	-0.18	
-1732	H11	SLES	1	20.4528	-9.11405	25.18	HAL2	1731	0	0	0	0.09	
-1733	H12	SLES	1	21.7629	-9.52918	24.0181	HAL2	1731	0	0	0	0.09	
-1734	C2	SLES	1	19.7562	-10.2592	23.4215	CTL2	1731	1735	1736	1737	-0.18	
-1735	H21	SLES	1	19.5135	-11.3433	23.4887	HAL2	1734	0	0	0	0.09	
-1736	H22	SLES	1	20.1805	-10.0652	22.412	HAL2	1734	0	0	0	0.09	
-1737	C3	SLES	1	18.406	-9.40801	23.5977	CTL2	1734	1738	1739	1740	-0.18	
-1738	H31	SLES	1	17.6254	-10.0586	24.0512	HAL2	1737	0	0	0	0.09	
-1739	H32	SLES	1	18.5965	-8.56866	24.2958	HAL2	1737	0	0	0	0.09	
-1740	C4	SLES	1	17.858	-8.82479	22.2296	CTL2	1737	1741	1742	1743	-0.18	
-1741	H41	SLES	1	17.0094	-9.45222	21.8854	HAL2	1740	0	0	0	0.09	
-1742	H42	SLES	1	18.6592	-8.88151	21.4616	HAL2	1740	0	0	0	0.09	
-1743	C5	SLES	1	17.3699	-7.31152	22.3584	CTL2	1740	1744	1745	1746	-0.18	
-1744	H51	SLES	1	17.2056	-7.07319	23.4325	HAL2	1743	0	0	0	0.09	
-1745	H52	SLES	1	18.1714	-6.63826	21.9773	HAL2	1743	0	0	0	0.09	
-1746	C6	SLES	1	16.0402	-7.02572	21.5638	CTL2	1743	1747	1748	1749	-0.18	
-1747	H61	SLES	1	15.1895	-7.50992	22.094	HAL2	1746	0	0	0	0.09	
-1748	H62	SLES	1	15.8552	-5.92613	21.5511	HAL2	1746	0	0	0	0.09	
-1749	C7	SLES	1	16.0888	-7.54992	20.0937	CTL2	1746	1750	1751	1752	-0.18	
-1750	H71	SLES	1	15.8673	-8.6402	20.0899	HAL2	1749	0	0	0	0.09	
-1751	H72	SLES	1	17.1158	-7.40655	19.69	HAL2	1749	0	0	0	0.09	
-1752	C8	SLES	1	15.0775	-6.8278	19.1689	CTL2	1749	1753	1754	1755	-0.18	
-1753	H81	SLES	1	14.0896	-6.77391	19.6813	HAL2	1752	0	0	0	0.09	
-1754	H82	SLES	1	15.4288	-5.78635	18.9884	HAL2	1752	0	0	0	0.09	
-1755	C9	SLES	1	14.9031	-7.54638	17.8075	CTL2	1752	1756	1757	1758	-0.18	
-1756	H91	SLES	1	14.5803	-8.59656	17.9899	HAL2	1755	0	0	0	0.09	
-1757	H92	SLES	1	15.8851	-7.575	17.2838	HAL2	1755	0	0	0	0.09	
-1758	C10	SLES	1	13.8648	-6.85114	16.8952	CTL2	1755	1759	1760	1761	-0.18	
-1759	H10	SLES	1	12.8766	-6.84319	17.4093	HAL2	1758	0	0	0	0.09	
-1760	H10	SLES	1	14.1753	-5.79452	16.7304	HAL2	1758	0	0	0	0.09	
-1761	C11	SLES	1	13.7152	-7.55568	15.5208	CTL2	1758	1762	1763	1764	-0.18	
-1762	H11	SLES	1	13.398	-8.60999	15.6907	HAL2	1761	0	0	0	0.09	
-1763	H11	SLES	1	14.7094	-7.57711	15.0186	HAL2	1761	0	0	0	0.09	
-1764	C12	SLES	1	12.6929	-6.87229	14.5761	CTL3	1761	1765	1766	1767	-0.27	
-1765	H12	SLES	1	11.882	-7.58369	14.3046	HAL3	1764	0	0	0	0.09	
-1766	H12	SLES	1	13.1949	-6.53419	13.6429	HAL3	1764	0	0	0	0.09	
-1767	H12	SLES	1	12.237	-5.98851	15.0734	HAL3	1764	0	0	0	0.09	
-1768	NA	SLES	1	20.5421	-24.5192	30.4781	NA	0	0	0	0	1	
-1769	S	SLES	1	18.829	-21.6069	31.8688	SL	1770	1771	1772	1773	1.33	
-1770	OS1	SLES	1	18.9233	-21.9581	30.2332	OSL	1769	1774	0	0	-0.28	
-1771	OS2	SLES	1	18.2031	-22.752	32.4969	O2L	1769	0	0	0	-0.65	
-1772	OS3	SLES	1	20.1946	-21.4766	32.3322	O2L	1769	0	0	0	-0.65	
-1773	OS4	SLES	1	18.0824	-20.3995	32.1839	O2L	1769	0	0	0	-0.65	
-1774	C2	SLES	1	18.0386	-21.0441	29.4572	CC32A	1770	1775	1776	1777	-0.11	
-1775	H2A	SLES	1	16.9815	-21.0941	29.841	HCA2	1774	0	0	0	0.09	
-1776	H2B	SLES	1	18.4198	-19.992	29.5759	HCA2	1774	0	0	0	0.09	
-1777	C1	SLES	1	18.0722	-21.4605	27.9109	CC32A	1774	1778	1779	1780	-0.01	
-1778	H1B	SLES	1	17.7794	-22.53	27.7998	HCA2	1777	0	0	0	0.09	
-1779	H1A	SLES	1	19.1014	-21.3257	27.5038	HCA2	1777	0	0	0	0.09	
-1780	O1	SLES	1	17.201	-20.7724	26.9385	OC30A	1777	1781	0	0	-0.34	
-1781	C2	SLES	1	16.6588	-19.4987	27.346	CC32A	1780	1782	1783	1784	-0.01	
-1782	H2A	SLES	1	16.0682	-19.7807	28.2396	HCA2	1781	0	0	0	0.09	
-1783	H2B	SLES	1	17.5671	-18.9461	27.6762	HCA2	1781	0	0	0	0.09	
-1784	C1	SLES	1	15.7964	-18.5843	26.4201	CC32A	1781	1785	1786	1787	-0.01	
-1785	H1B	SLES	1	14.7197	-18.8308	26.5469	HCA2	1784	0	0	0	0.09	
-1786	H1A	SLES	1	15.9538	-17.5243	26.7033	HCA2	1784	0	0	0	0.09	
-1787	O1	SLES	1	15.8898	-18.6039	24.9593	OC30A	1784	1788	0	0	-0.34	
-1788	C1	SLES	1	15.5853	-17.3218	24.2979	CTL2	1787	1789	1790	1791	-0.18	
-1789	H11	SLES	1	15.1597	-16.6516	25.0664	HAL2	1788	0	0	0	0.09	
-1790	H12	SLES	1	16.6032	-16.9644	24.0383	HAL2	1788	0	0	0	0.09	
-1791	C2	SLES	1	14.6675	-17.3042	23.012	CTL2	1788	1792	1793	1794	-0.18	
-1792	H21	SLES	1	14.3253	-18.3406	22.7941	HAL2	1791	0	0	0	0.09	
-1793	H22	SLES	1	15.2677	-16.9523	22.1444	HAL2	1791	0	0	0	0.09	
-1794	C3	SLES	1	13.3846	-16.3541	23.1849	CTL2	1791	1795	1796	1797	-0.18	
-1795	H31	SLES	1	12.4871	-16.9876	23.3619	HAL2	1794	0	0	0	0.09	
-1796	H32	SLES	1	13.5283	-15.7116	24.0763	HAL2	1794	0	0	0	0.09	
-1797	C4	SLES	1	13.1219	-15.4317	21.923	CTL2	1794	1798	1799	1800	-0.18	
-1798	H41	SLES	1	12.2913	-15.8649	21.3275	HAL2	1797	0	0	0	0.09	
-1799	H42	SLES	1	14.0311	-15.4196	21.2841	HAL2	1797	0	0	0	0.09	
-1800	C5	SLES	1	12.7505	-13.933	22.3241	CTL2	1797	1801	1802	1803	-0.18	
-1801	H51	SLES	1	12.4321	-13.9107	23.3898	HAL2	1800	0	0	0	0.09	
-1802	H52	SLES	1	13.6585	-13.2954	22.2249	HAL2	1800	0	0	0	0.09	
-1803	C6	SLES	1	11.5995	-13.3271	21.4356	CTL2	1800	1804	1805	1806	-0.18	
-1804	H61	SLES	1	10.6348	-13.8072	21.7146	HAL2	1803	0	0	0	0.09	
-1805	H62	SLES	1	11.5139	-12.2359	21.6487	HAL2	1803	0	0	0	0.09	
-1806	C7	SLES	1	11.8452	-13.5285	19.9068	CTL2	1803	1807	1808	1809	-0.18	
-1807	H71	SLES	1	11.535	-14.5584	19.6221	HAL2	1806	0	0	0	0.09	
-1808	H72	SLES	1	12.9332	-13.427	19.6965	HAL2	1806	0	0	0	0.09	
-1809	C8	SLES	1	11.066	-12.5101	19.0378	CTL2	1806	1810	1811	1812	-0.18	
-1810	H81	SLES	1	10.0153	-12.4481	19.4034	HAL2	1809	0	0	0	0.09	
-1811	H82	SLES	1	11.53	-11.504	19.1522	HAL2	1809	0	0	0	0.09	
-1812	C9	SLES	1	11.0579	-12.8963	17.5375	CTL2	1809	1813	1814	1815	-0.18	
-1813	H91	SLES	1	10.6208	-13.9147	17.427	HAL2	1812	0	0	0	0.09	
-1814	H92	SLES	1	12.1068	-12.9307	17.166	HAL2	1812	0	0	0	0.09	
-1815	C10	SLES	1	10.2478	-11.9033	16.6707	CTL2	1812	1816	1817	1818	-0.18	
-1816	H10	SLES	1	9.19269	-11.8862	17.0274	HAL2	1815	0	0	0	0.09	
-1817	H10	SLES	1	10.6705	-10.881	16.7978	HAL2	1815	0	0	0	0.09	
-1818	C11	SLES	1	10.2675	-12.2762	15.1646	CTL2	1815	1819	1820	1821	-0.18	
-1819	H11	SLES	1	9.83752	-13.2966	15.0419	HAL2	1818	0	0	0	0.09	
-1820	H11	SLES	1	11.3254	-12.3096	14.8171	HAL2	1818	0	0	0	0.09	
-1821	C12	SLES	1	9.47735	-11.2897	14.2661	CTL3	1818	1822	1823	1824	-0.27	
-1822	H12	SLES	1	8.66458	-11.8244	13.7268	HAL3	1821	0	0	0	0.09	
-1823	H12	SLES	1	10.1536	-10.8237	13.516	HAL3	1821	0	0	0	0.09	
-1824	H12	SLES	1	9.02295	-10.4837	14.8826	HAL3	1821	0	0	0	0.09	
-1825	NA	SLES	1	10.4931	-30.6438	30.0489	NA	0	0	0	0	1	
-1826	S	SLES	1	8.76511	-27.7522	31.4642	SL	1827	1828	1829	1830	1.33	
-1827	OS1	SLES	1	9.21194	-27.894	29.8556	OSL	1826	1831	0	0	-0.28	
-1828	OS2	SLES	1	7.90936	-28.8847	31.7517	O2L	1826	0	0	0	-0.65	
-1829	OS3	SLES	1	9.98844	-27.8521	32.2324	O2L	1826	0	0	0	-0.65	
-1830	OS4	SLES	1	8.07532	-26.5146	31.7912	O2L	1826	0	0	0	-0.65	
-1831	C2	SLES	1	8.62049	-26.7846	29.0559	CC32A	1827	1832	1833	1834	-0.11	
-1832	H2A	SLES	1	7.50251	-26.7549	29.1839	HCA2	1831	0	0	0	0.09	
-1833	H2B	SLES	1	9.05467	-25.8119	29.4187	HCA2	1831	0	0	0	0.09	
-1834	C1	SLES	1	8.98177	-26.9949	27.5096	CC32A	1831	1835	1836	1837	-0.01	
-1835	H1B	SLES	1	8.62979	-27.9965	27.1709	HCA2	1834	0	0	0	0.09	
-1836	H1A	SLES	1	10.0858	-26.9347	27.3662	HCA2	1834	0	0	0	0.09	
-1837	O1	SLES	1	8.42983	-26.0835	26.4885	OC30A	1834	1838	0	0	-0.34	
-1838	C2	SLES	1	7.92183	-24.8177	26.9601	CC32A	1837	1839	1840	1841	-0.01	
-1839	H2A	SLES	1	7.11402	-25.1404	27.6458	HCA2	1838	0	0	0	0.09	
-1840	H2B	SLES	1	8.77165	-24.4287	27.5649	HCA2	1838	0	0	0	0.09	
-1841	C1	SLES	1	7.38752	-23.6908	26.021	CC32A	1838	1842	1843	1844	-0.01	
-1842	H1B	SLES	1	6.2939	-23.8183	25.8667	HCA2	1841	0	0	0	0.09	
-1843	H1A	SLES	1	7.56685	-22.7046	26.494	HCA2	1841	0	0	0	0.09	
-1844	O1	SLES	1	7.8216	-23.5294	24.6323	OC30A	1841	1845	0	0	-0.34	
-1845	C1	SLES	1	7.79715	-22.1439	24.1286	CTL2	1844	1846	1847	1848	-0.18	
-1846	H11	SLES	1	7.26303	-21.5336	24.8791	HAL2	1845	0	0	0	0.09	
-1847	H12	SLES	1	8.87515	-21.8827	24.1595	HAL2	1845	0	0	0	0.09	
-1848	C2	SLES	1	7.21476	-21.845	22.6906	CTL2	1845	1849	1850	1851	-0.18	
-1849	H21	SLES	1	6.84314	-22.7941	22.2433	HAL2	1848	0	0	0	0.09	
-1850	H22	SLES	1	8.0318	-21.4582	22.043	HAL2	1848	0	0	0	0.09	
-1851	C3	SLES	1	6.01686	-20.7762	22.722	CTL2	1848	1852	1853	1854	-0.18	
-1852	H31	SLES	1	5.05034	-21.3129	22.5952	HAL2	1851	0	0	0	0.09	
-1853	H32	SLES	1	6.00213	-20.279	23.7124	HAL2	1851	0	0	0	0.09	
-1854	C4	SLES	1	6.14287	-19.6706	21.5933	CTL2	1851	1855	1856	1857	-0.18	
-1855	H41	SLES	1	5.44161	-19.9168	20.7688	HAL2	1854	0	0	0	0.09	
-1856	H42	SLES	1	7.17478	-19.6859	21.181	HAL2	1854	0	0	0	0.09	
-1857	C5	SLES	1	5.82168	-18.2037	22.1316	CTL2	1854	1858	1859	1860	-0.18	
-1858	H51	SLES	1	5.26362	-18.2829	23.0906	HAL2	1857	0	0	0	0.09	
-1859	H52	SLES	1	6.78033	-17.6745	22.3363	HAL2	1857	0	0	0	0.09	
-1860	C6	SLES	1	4.97192	-17.3498	21.1165	CTL2	1857	1861	1862	1863	-0.18	
-1861	H61	SLES	1	3.92987	-17.7408	21.097	HAL2	1860	0	0	0	0.09	
-1862	H62	SLES	1	4.93554	-16.294	21.4733	HAL2	1860	0	0	0	0.09	
-1863	C7	SLES	1	5.55328	-17.3769	19.6676	CTL2	1860	1864	1865	1866	-0.18	
-1864	H71	SLES	1	5.22906	-18.3146	19.1641	HAL2	1863	0	0	0	0.09	
-1865	H72	SLES	1	6.66477	-17.3826	19.7214	HAL2	1863	0	0	0	0.09	
-1866	C8	SLES	1	5.09517	-16.1654	18.818	CTL2	1863	1867	1868	1869	-0.18	
-1867	H81	SLES	1	3.99762	-16.0239	18.9475	HAL2	1866	0	0	0	0.09	
-1868	H82	SLES	1	5.60641	-15.2475	19.1878	HAL2	1866	0	0	0	0.09	
-1869	C9	SLES	1	5.40785	-16.3469	17.3115	CTL2	1866	1870	1871	1872	-0.18	
-1870	H91	SLES	1	4.9207	-17.2807	16.9495	HAL2	1869	0	0	0	0.09	
-1871	H92	SLES	1	6.5076	-16.4602	17.1802	HAL2	1869	0	0	0	0.09	
-1872	C10	SLES	1	4.91713	-15.157	16.4532	CTL2	1869	1873	1874	1875	-0.18	
-1873	H10	SLES	1	3.81339	-15.0579	16.5661	HAL2	1872	0	0	0	0.09	
-1874	H10	SLES	1	5.38676	-14.2197	16.8287	HAL2	1872	0	0	0	0.09	
-1875	C11	SLES	1	5.25924	-15.328	14.9494	CTL2	1872	1876	1877	1878	-0.18	
-1876	H11	SLES	1	4.78166	-16.263	14.5769	HAL2	1875	0	0	0	0.09	
-1877	H11	SLES	1	6.36201	-15.4446	14.8434	HAL2	1875	0	0	0	0.09	
-1878	C12	SLES	1	4.7947	-14.1427	14.064	CTL3	1875	1879	1880	1881	-0.27	
-1879	H12	SLES	1	4.08838	-14.4982	13.2817	HAL3	1878	0	0	0	0.09	
-1880	H12	SLES	1	5.66782	-13.6683	13.5641	HAL3	1878	0	0	0	0.09	
-1881	H12	SLES	1	4.28078	-13.3753	14.683	HAL3	1878	0	0	0	0.09	
-1882	NA	SLES	1	-1.20896	-32.5152	29.8894	NA	0	0	0	0	1	
-1883	S	SLES	1	-2.95024	-29.488	30.9639	SL	1884	1885	1886	1887	1.33	
-1884	OS1	SLES	1	-2.10216	-29.6325	29.5261	OSL	1883	1888	0	0	-0.28	
-1885	OS2	SLES	1	-3.96293	-30.5233	30.9464	O2L	1883	0	0	0	-0.65	
-1886	OS3	SLES	1	-1.99696	-29.7498	32.0219	O2L	1883	0	0	0	-0.65	
-1887	OS4	SLES	1	-3.5725	-28.1899	31.1687	O2L	1883	0	0	0	-0.65	
-1888	C2	SLES	1	-2.3388	-28.4396	28.6651	CC32A	1884	1889	1890	1891	-0.11	
-1889	H2A	SLES	1	-3.44067	-28.2861	28.4934	HCA2	1888	0	0	0	0.09	
-1890	H2B	SLES	1	-1.92181	-27.5341	29.187	HCA2	1888	0	0	0	0.09	
-1891	C1	SLES	1	-1.59646	-28.6442	27.2605	CC32A	1888	1892	1893	1894	-0.01	
-1892	H1B	SLES	1	-1.94424	-29.5885	26.782	HCA2	1891	0	0	0	0.09	
-1893	H1A	SLES	1	-0.494575	-28.7064	27.4191	HCA2	1891	0	0	0	0.09	
-1894	O1	SLES	1	-1.7557	-27.6459	26.1853	OC30A	1891	1895	0	0	-0.34	
-1895	C2	SLES	1	-2.24012	-26.3448	26.5792	CC32A	1894	1896	1897	1898	-0.01	
-1896	H2A	SLES	1	-3.23179	-26.5931	27.0055	HCA2	1895	0	0	0	0.09	
-1897	H2B	SLES	1	-1.55028	-26.0735	27.4097	HCA2	1895	0	0	0	0.09	
-1898	C1	SLES	1	-2.38261	-25.1371	25.6002	CC32A	1895	1899	1900	1901	-0.01	
-1899	H1B	SLES	1	-3.40089	-25.134	25.154	HCA2	1898	0	0	0	0.09	
-1900	H1A	SLES	1	-2.23801	-24.1922	26.1614	HCA2	1898	0	0	0	0.09	
-1901	O1	SLES	1	-1.57519	-24.9854	24.3887	OC30A	1898	1902	0	0	-0.34	
-1902	C1	SLES	1	-1.32082	-23.592	23.9793	CTL2	1901	1903	1904	1905	-0.18	
-1903	H11	SLES	1	-1.97267	-22.947	24.596	HAL2	1902	0	0	0	0.09	
-1904	H12	SLES	1	-0.270475	-23.4567	24.3106	HAL2	1902	0	0	0	0.09	
-1905	C2	SLES	1	-1.45913	-23.1862	22.4587	CTL2	1902	1906	1907	1908	-0.18	
-1906	H21	SLES	1	-1.791	-24.0729	21.8735	HAL2	1905	0	0	0	0.09	
-1907	H22	SLES	1	-0.462368	-22.8764	22.0752	HAL2	1905	0	0	0	0.09	
-1908	C3	SLES	1	-2.50518	-21.9888	22.2342	CTL2	1905	1909	1910	1911	-0.18	
-1909	H31	SLES	1	-3.45104	-22.4075	21.8239	HAL2	1908	0	0	0	0.09	
-1910	H32	SLES	1	-2.73616	-21.5226	23.2127	HAL2	1908	0	0	0	0.09	
-1911	C4	SLES	1	-1.96644	-20.8721	21.2468	CTL2	1908	1912	1913	1914	-0.18	
-1912	H41	SLES	1	-2.44009	-21.0121	20.2527	HAL2	1911	0	0	0	0.09	
-1913	H42	SLES	1	-0.868689	-20.9931	21.1231	HAL2	1911	0	0	0	0.09	
-1914	C5	SLES	1	-2.2695	-19.3946	21.7663	CTL2	1911	1915	1916	1917	-0.18	
-1915	H51	SLES	1	-3.07109	-19.4377	22.5364	HAL2	1914	0	0	0	0.09	
-1916	H52	SLES	1	-1.353	-18.9847	22.249	HAL2	1914	0	0	0	0.09	
-1917	C6	SLES	1	-2.72138	-18.4196	20.6145	CTL2	1914	1918	1919	1920	-0.18	
-1918	H61	SLES	1	-3.75364	-18.6881	20.296	HAL2	1917	0	0	0	0.09	
-1919	H62	SLES	1	-2.74472	-17.3775	21.0106	HAL2	1917	0	0	0	0.09	
-1920	C7	SLES	1	-1.77592	-18.4703	19.3728	CTL2	1917	1921	1922	1923	-0.18	
-1921	H71	SLES	1	-2.04604	-19.3494	18.7468	HAL2	1920	0	0	0	0.09	
-1922	H72	SLES	1	-0.726986	-18.6045	19.7193	HAL2	1920	0	0	0	0.09	
-1923	C8	SLES	1	-1.86101	-17.1897	18.5053	CTL2	1920	1924	1925	1926	-0.18	
-1924	H81	SLES	1	-2.93228	-16.9276	18.347	HAL2	1923	0	0	0	0.09	
-1925	H82	SLES	1	-1.37774	-16.3476	19.0512	HAL2	1923	0	0	0	0.09	
-1926	C9	SLES	1	-1.17301	-17.3613	17.1278	CTL2	1923	1927	1928	1929	-0.18	
-1927	H91	SLES	1	-1.63696	-18.2222	16.5949	HAL2	1926	0	0	0	0.09	
-1928	H92	SLES	1	-0.0962872	-17.5957	17.2867	HAL2	1926	0	0	0	0.09	
-1929	C10	SLES	1	-1.28919	-16.0983	16.242	CTL2	1926	1930	1931	1932	-0.18	
-1930	H10	SLES	1	-2.36622	-15.8771	16.0636	HAL2	1929	0	0	0	0.09	
-1931	H10	SLES	1	-0.845293	-15.2323	16.7834	HAL2	1929	0	0	0	0.09	
-1932	C11	SLES	1	-0.57264	-16.2629	14.8755	CTL2	1929	1933	1934	1935	-0.18	
-1933	H11	SLES	1	-1.02473	-17.1258	14.335	HAL2	1932	0	0	0	0.09	
-1934	H11	SLES	1	0.499812	-16.5016	15.0593	HAL2	1932	0	0	0	0.09	
-1935	C12	SLES	1	-0.656905	-15.0067	13.9703	CTL3	1932	1936	1937	1938	-0.27	
-1936	H12	SLES	1	-1.15796	-15.2559	13.009	HAL3	1935	0	0	0	0.09	
-1937	H12	SLES	1	0.362586	-14.6207	13.749	HAL3	1935	0	0	0	0.09	
-1938	H12	SLES	1	-1.23778	-14.2041	14.475	HAL3	1935	0	0	0	0.09	
-1939	NA	SLES	1	-12.873	-29.8142	29.958	NA	0	0	0	0	1	
-1940	S	SLES	1	-14.4606	-26.5505	30.3805	SL	1941	1942	1943	1944	1.33	
-1941	OS1	SLES	1	-13.2889	-26.8917	29.2324	OSL	1940	1945	0	0	-0.28	
-1942	OS2	SLES	1	-15.5494	-27.4746	30.14	O2L	1940	0	0	0	-0.65	
-1943	OS3	SLES	1	-13.8561	-26.8261	31.6671	O2L	1940	0	0	0	-0.65	
-1944	OS4	SLES	1	-14.9551	-25.1834	30.349	O2L	1940	0	0	0	-0.65	
-1945	C2	SLES	1	-13.1474	-25.7509	28.2844	CC32A	1941	1946	1947	1948	-0.11	
-1946	H2A	SLES	1	-14.1393	-25.499	27.8154	HCA2	1945	0	0	0	0.09	
-1947	H2B	SLES	1	-12.7767	-24.8553	28.856	HCA2	1945	0	0	0	0.09	
-1948	C1	SLES	1	-12.0929	-26.1384	27.1426	CC32A	1945	1949	1950	1951	-0.01	
-1949	H1B	SLES	1	-12.4133	-27.0762	26.6331	HCA2	1948	0	0	0	0.09	
-1950	H1A	SLES	1	-11.0867	-26.3008	27.5946	HCA2	1948	0	0	0	0.09	
-1951	O1	SLES	1	-11.8445	-25.2151	26.0185	OC30A	1948	1952	0	0	-0.34	
-1952	C2	SLES	1	-12.2562	-23.8447	26.2057	CC32A	1951	1953	1954	1955	-0.01	
-1953	H2A	SLES	1	-13.3472	-23.9563	26.3607	HCA2	1952	0	0	0	0.09	
-1954	H2B	SLES	1	-11.7808	-23.5822	27.1775	HCA2	1952	0	0	0	0.09	
-1955	C1	SLES	1	-11.9919	-22.7079	25.1688	CC32A	1952	1956	1957	1958	-0.01	
-1956	H1B	SLES	1	-12.8497	-22.6349	24.4654	HCA2	1955	0	0	0	0.09	
-1957	H1A	SLES	1	-11.8876	-21.7423	25.703	HCA2	1955	0	0	0	0.09	
-1958	O1	SLES	1	-10.8831	-22.7339	24.2134	OC30A	1955	1959	0	0	-0.34	
-1959	C1	SLES	1	-10.3658	-21.4096	23.8225	CTL2	1958	1960	1961	1962	-0.18	
-1960	H11	SLES	1	-11.0746	-20.6555	24.2099	HAL2	1959	0	0	0	0.09	
-1961	H12	SLES	1	-9.43061	-21.3576	24.4175	HAL2	1959	0	0	0	0.09	
-1962	C2	SLES	1	-10.0513	-21.1105	22.3034	CTL2	1959	1963	1964	1965	-0.18	
-1963	H21	SLES	1	-10.3217	-22.001	21.6929	HAL2	1962	0	0	0	0.09	
-1964	H22	SLES	1	-8.9593	-20.9351	22.1881	HAL2	1962	0	0	0	0.09	
-1965	C3	SLES	1	-10.8512	-19.833	21.7496	CTL2	1962	1966	1967	1968	-0.18	
-1966	H31	SLES	1	-11.6995	-20.1829	21.1201	HAL2	1965	0	0	0	0.09	
-1967	H32	SLES	1	-11.2732	-19.2714	22.6068	HAL2	1965	0	0	0	0.09	
-1968	C4	SLES	1	-9.94323	-18.857	20.8922	CTL2	1965	1969	1970	1971	-0.18	
-1969	H41	SLES	1	-10.1531	-19.0241	19.815	HAL2	1968	0	0	0	0.09	
-1970	H42	SLES	1	-8.874	-19.0992	21.0742	HAL2	1968	0	0	0	0.09	
-1971	C5	SLES	1	-10.1931	-17.3205	21.2408	CTL2	1968	1972	1973	1974	-0.18	
-1972	H51	SLES	1	-11.1677	-17.2217	21.7679	HAL2	1971	0	0	0	0.09	
-1973	H52	SLES	1	-9.39299	-16.9708	21.9324	HAL2	1971	0	0	0	0.09	
-1974	C6	SLES	1	-10.2076	-16.3963	19.9653	CTL2	1971	1975	1976	1977	-0.18	
-1975	H61	SLES	1	-11.1448	-16.5813	19.3938	HAL2	1974	0	0	0	0.09	
-1976	H62	SLES	1	-10.2093	-15.3298	20.291	HAL2	1974	0	0	0	0.09	
-1977	C7	SLES	1	-8.98289	-16.6393	19.0276	CTL2	1974	1978	1979	1980	-0.18	
-1978	H71	SLES	1	-9.18252	-17.5319	18.3941	HAL2	1977	0	0	0	0.09	
-1979	H72	SLES	1	-8.08521	-16.8533	19.6495	HAL2	1977	0	0	0	0.09	
-1980	C8	SLES	1	-8.68413	-15.4277	18.1099	CTL2	1977	1981	1982	1983	-0.18	
-1981	H81	SLES	1	-9.63723	-15.0701	17.657	HAL2	1980	0	0	0	0.09	
-1982	H82	SLES	1	-8.26381	-14.6	18.7254	HAL2	1980	0	0	0	0.09	
-1983	C9	SLES	1	-7.68481	-15.7748	16.978	CTL2	1980	1984	1985	1986	-0.18	
-1984	H91	SLES	1	-8.09229	-16.6221	16.3811	HAL2	1983	0	0	0	0.09	
-1985	H92	SLES	1	-6.72332	-16.1054	17.4316	HAL2	1983	0	0	0	0.09	
-1986	C10	SLES	1	-7.41312	-14.5787	16.0352	CTL2	1983	1987	1988	1989	-0.18	
-1987	H10	SLES	1	-8.37135	-14.2626	15.5633	HAL2	1986	0	0	0	0.09	
-1988	H10	SLES	1	-7.02649	-13.7236	16.6347	HAL2	1986	0	0	0	0.09	
-1989	C11	SLES	1	-6.3885	-14.9209	14.9212	CTL2	1986	1990	1991	1992	-0.18	
-1990	H11	SLES	1	-6.78286	-15.7721	14.3203	HAL2	1989	0	0	0	0.09	
-1991	H11	SLES	1	-5.43815	-15.2535	15.3979	HAL2	1989	0	0	0	0.09	
-1992	C12	SLES	1	-6.08198	-13.7363	13.9687	CTL3	1989	1993	1994	1995	-0.27	
-1993	H12	SLES	1	-6.33966	-14.0064	12.9208	HAL3	1992	0	0	0	0.09	
-1994	H12	SLES	1	-5.00158	-13.4752	14.0119	HAL3	1992	0	0	0	0.09	
-1995	H12	SLES	1	-6.67465	-12.8419	14.26	HAL3	1992	0	0	0	0.09	
-1996	NA	SLES	1	-22.7933	-22.8429	30.1786	NA	0	0	0	0	1	
-1997	S	SLES	1	-23.99	-19.4187	29.739	SL	1998	1999	2000	2001	1.33	
-1998	OS1	SLES	1	-22.6555	-20.0629	28.9569	OSL	1997	2002	0	0	-0.28	
-1999	OS2	SLES	1	-25.1144	-20.2621	29.39	O2L	1997	0	0	0	-0.65	
-2000	OS3	SLES	1	-23.7162	-19.5252	31.1568	O2L	1997	0	0	0	-0.65	
-2001	OS4	SLES	1	-24.2817	-18.0366	29.3939	O2L	1997	0	0	0	-0.65	
-2002	C2	SLES	1	-22.1656	-19.1211	27.9113	CC32A	1998	2003	2004	2005	-0.11	
-2003	H2A	SLES	1	-22.9922	-18.8601	27.1932	HCA2	2002	0	0	0	0.09	
-2004	H2B	SLES	1	-21.8108	-18.1801	28.4161	HCA2	2002	0	0	0	0.09	
-2005	C1	SLES	1	-20.9519	-19.7983	27.1149	CC32A	2002	2006	2007	2008	-0.01	
-2006	H1B	SLES	1	-21.2769	-20.7749	26.6877	HCA2	2005	0	0	0	0.09	
-2007	H1A	SLES	1	-20.0959	-19.9759	27.8069	HCA2	2005	0	0	0	0.09	
-2008	O1	SLES	1	-20.3495	-19.1104	25.9566	OC30A	2005	2009	0	0	-0.34	
-2009	C2	SLES	1	-20.6073	-17.6952	25.8406	CC32A	2008	2010	2011	2012	-0.01	
-2010	H2A	SLES	1	-21.7113	-17.6737	25.7526	HCA2	2009	0	0	0	0.09	
-2011	H2B	SLES	1	-20.3203	-17.316	26.8471	HCA2	2009	0	0	0	0.09	
-2012	C1	SLES	1	-19.98	-16.7844	24.7387	CC32A	2009	2013	2014	2015	-0.01	
-2013	H1B	SLES	1	-20.6505	-16.752	23.8524	HCA2	2012	0	0	0	0.09	
-2014	H1A	SLES	1	-19.866	-15.7558	25.1354	HCA2	2012	0	0	0	0.09	
-2015	O1	SLES	1	-18.706	-17.0804	24.0813	OC30A	2012	2016	0	0	-0.34	
-2016	C1	SLES	1	-17.9472	-15.8988	23.6318	CTL2	2015	2017	2018	2019	-0.18	
-2017	H11	SLES	1	-18.6166	-15.025	23.7295	HAL2	2016	0	0	0	0.09	
-2018	H12	SLES	1	-17.1623	-15.8347	24.4135	HAL2	2016	0	0	0	0.09	
-2019	C2	SLES	1	-17.2787	-15.897	22.2003	CTL2	2016	2020	2021	2022	-0.18	
-2020	H21	SLES	1	-17.5274	-16.8494	21.6807	HAL2	2019	0	0	0	0.09	
-2021	H22	SLES	1	-16.1739	-15.8493	22.3173	HAL2	2019	0	0	0	0.09	
-2022	C3	SLES	1	-17.7663	-14.6635	21.2952	CTL2	2019	2023	2024	2025	-0.18	
-2023	H31	SLES	1	-18.499	-15.0339	20.544	HAL2	2022	0	0	0	0.09	
-2024	H32	SLES	1	-18.2838	-13.925	21.9394	HAL2	2022	0	0	0	0.09	
-2025	C4	SLES	1	-16.5754	-13.941	20.5388	CTL2	2022	2026	2027	2028	-0.18	
-2026	H41	SLES	1	-16.5704	-14.2702	19.4787	HAL2	2025	0	0	0	0.09	
-2027	H42	SLES	1	-15.6113	-14.2492	20.9975	HAL2	2025	0	0	0	0.09	
-2028	C5	SLES	1	-16.6892	-12.3507	20.5913	CTL2	2025	2029	2030	2031	-0.18	
-2029	H51	SLES	1	-17.7322	-12.0699	20.8574	HAL2	2028	0	0	0	0.09	
-2030	H52	SLES	1	-16.0164	-11.9652	21.3911	HAL2	2028	0	0	0	0.09	
-2031	C6	SLES	1	-16.3088	-11.6627	19.2262	CTL2	2028	2032	2033	2034	-0.18	
-2032	H61	SLES	1	-17.1182	-11.853	18.4861	HAL2	2031	0	0	0	0.09	
-2033	H62	SLES	1	-16.2394	-10.5609	19.3831	HAL2	2031	0	0	0	0.09	
-2034	C7	SLES	1	-14.955	-12.1795	18.6445	CTL2	2031	2035	2036	2037	-0.18	
-2035	H71	SLES	1	-15.1306	-13.1445	18.1195	HAL2	2034	0	0	0	0.09	
-2036	H72	SLES	1	-14.2472	-12.368	19.4822	HAL2	2034	0	0	0	0.09	
-2037	C8	SLES	1	-14.31	-11.1781	17.6542	CTL2	2034	2038	2039	2040	-0.18	
-2038	H81	SLES	1	-15.0886	-10.8144	16.9451	HAL2	2037	0	0	0	0.09	
-2039	H82	SLES	1	-13.9255	-10.3007	18.2227	HAL2	2037	0	0	0	0.09	
-2040	C9	SLES	1	-13.1466	-11.8087	16.8486	CTL2	2037	2041	2042	2043	-0.18	
-2041	H91	SLES	1	-13.5251	-12.7033	16.3039	HAL2	2040	0	0	0	0.09	
-2042	H92	SLES	1	-12.3564	-12.1466	17.5564	HAL2	2040	0	0	0	0.09	
-2043	C10	SLES	1	-12.5244	-10.8243	15.8302	CTL2	2040	2044	2045	2046	-0.18	
-2044	H10	SLES	1	-13.3094	-10.5042	15.1077	HAL2	2043	0	0	0	0.09	
-2045	H10	SLES	1	-12.1655	-9.91971	16.3714	HAL2	2043	0	0	0	0.09	
-2046	C11	SLES	1	-11.3397	-11.4495	15.0469	CTL2	2043	2047	2048	2049	-0.18	
-2047	H11	SLES	1	-11.7052	-12.3498	14.5019	HAL2	2046	0	0	0	0.09	
-2048	H11	SLES	1	-10.5655	-11.7843	15.7746	HAL2	2046	0	0	0	0.09	
-2049	C12	SLES	1	-10.6832	-10.4814	14.0289	CTL3	2046	2050	2051	2052	-0.27	
-2050	H12	SLES	1	-10.7443	-10.902	13.0009	HAL3	2049	0	0	0	0.09	
-2051	H12	SLES	1	-9.61225	-10.3212	14.2831	HAL3	2049	0	0	0	0.09	
-2052	H12	SLES	1	-11.2012	-9.49775	14.0406	HAL3	2049	0	0	0	0.09	
-2053	NA	SLES	1	-29.462	-12.5163	30.4535	NA	0	0	0	0	1	
-2054	S	SLES	1	-30.12	-9.19828	29.0721	SL	2055	2056	2057	2058	1.33	
-2055	OS1	SLES	1	-28.7917	-10.1409	28.6792	OSL	2054	2059	0	0	-0.28	
-2056	OS2	SLES	1	-31.2906	-9.98555	28.7444	O2L	2054	0	0	0	-0.65	
-2057	OS3	SLES	1	-30.0543	-8.98603	30.5029	O2L	2054	0	0	0	-0.65	
-2058	OS4	SLES	1	-30.1754	-7.91841	28.3841	O2L	2054	0	0	0	-0.65	
-2059	C2	SLES	1	-28.0452	-9.53246	27.5422	CC32A	2055	2060	2061	2062	-0.11	
-2060	H2A	SLES	1	-28.7263	-9.37198	26.6605	HCA2	2059	0	0	0	0.09	
-2061	H2B	SLES	1	-27.638	-8.53726	27.8739	HCA2	2059	0	0	0	0.09	
-2062	C1	SLES	1	-26.8379	-10.4984	27.1235	CC32A	2059	2063	2064	2065	-0.01	
-2063	H1B	SLES	1	-27.2309	-11.5122	26.879	HCA2	2062	0	0	0	0.09	
-2064	H1A	SLES	1	-26.1133	-10.5876	27.9662	HCA2	2062	0	0	0	0.09	
-2065	O1	SLES	1	-25.9999	-10.1734	25.953	OC30A	2062	2066	0	0	-0.34	
-2066	C2	SLES	1	-26.0482	-8.80967	25.4834	CC32A	2065	2067	2068	2069	-0.01	
-2067	H2A	SLES	1	-27.1176	-8.70095	25.2164	HCA2	2066	0	0	0	0.09	
-2068	H2B	SLES	1	-25.8496	-8.22908	26.4123	HCA2	2066	0	0	0	0.09	
-2069	C1	SLES	1	-25.1634	-8.25833	24.3212	CC32A	2066	2070	2071	2072	-0.01	
-2070	H1B	SLES	1	-25.6994	-8.37459	23.3541	HCA2	2069	0	0	0	0.09	
-2071	H1A	SLES	1	-24.9665	-7.1808	24.4908	HCA2	2069	0	0	0	0.09	
-2072	O1	SLES	1	-23.8644	-8.82863	23.9605	OC30A	2069	2073	0	0	-0.34	
-2073	C1	SLES	1	-22.9011	-7.87141	23.3862	CTL2	2072	2074	2075	2076	-0.18	
-2074	H11	SLES	1	-23.4545	-6.93809	23.1768	HAL2	2073	0	0	0	0.09	
-2075	H12	SLES	1	-22.2259	-7.69858	24.2495	HAL2	2073	0	0	0	0.09	
-2076	C2	SLES	1	-22.0538	-8.2813	22.1173	CTL2	2073	2077	2078	2079	-0.18	
-2077	H21	SLES	1	-22.3563	-9.30149	21.7909	HAL2	2076	0	0	0	0.09	
-2078	H22	SLES	1	-20.9781	-8.31619	22.3969	HAL2	2076	0	0	0	0.09	
-2079	C3	SLES	1	-22.2468	-7.26062	20.8928	CTL2	2076	2080	2081	2082	-0.18	
-2080	H31	SLES	1	-22.9158	-7.72699	20.1357	HAL2	2079	0	0	0	0.09	
-2081	H32	SLES	1	-22.7419	-6.34106	21.2635	HAL2	2079	0	0	0	0.09	
-2082	C4	SLES	1	-20.8799	-6.8634	20.1956	CTL2	2079	2083	2084	2085	-0.18	
-2083	H41	SLES	1	-20.7778	-7.43746	19.2511	HAL2	2082	0	0	0	0.09	
-2084	H42	SLES	1	-20.0355	-7.14564	20.8607	HAL2	2082	0	0	0	0.09	
-2085	C5	SLES	1	-20.7857	-5.30419	19.8719	CTL2	2082	2086	2087	2088	-0.18	
-2086	H51	SLES	1	-21.8077	-4.86573	19.8971	HAL2	2085	0	0	0	0.09	
-2087	H52	SLES	1	-20.1799	-4.80557	20.6627	HAL2	2085	0	0	0	0.09	
-2088	C6	SLES	1	-20.1382	-5.00704	18.467	CTL2	2085	2089	2090	2091	-0.18	
-2089	H61	SLES	1	-20.8598	-5.28922	17.6679	HAL2	2088	0	0	0	0.09	
-2090	H62	SLES	1	-19.9434	-3.91235	18.3823	HAL2	2088	0	0	0	0.09	
-2091	C7	SLES	1	-18.8004	-5.78019	18.2413	CTL2	2088	2092	2093	2094	-0.18	
-2092	H71	SLES	1	-19.0321	-6.82116	17.9243	HAL2	2091	0	0	0	0.09	
-2093	H72	SLES	1	-18.2422	-5.83	19.2026	HAL2	2091	0	0	0	0.09	
-2094	C8	SLES	1	-17.901	-5.11615	17.1691	CTL2	2091	2095	2096	2097	-0.18	
-2095	H81	SLES	1	-18.5224	-4.85917	16.2807	HAL2	2094	0	0	0	0.09	
-2096	H82	SLES	1	-17.4817	-4.17005	17.581	HAL2	2094	0	0	0	0.09	
-2097	C9	SLES	1	-16.7356	-6.03446	16.723	CTL2	2094	2098	2099	2100	-0.18	
-2098	H91	SLES	1	-17.1546	-6.99209	16.3387	HAL2	2097	0	0	0	0.09	
-2099	H92	SLES	1	-16.0992	-6.268	17.6061	HAL2	2097	0	0	0	0.09	
-2100	C10	SLES	1	-15.8572	-5.39138	15.6238	CTL2	2097	2101	2102	2103	-0.18	
-2101	H10	SLES	1	-16.4889	-5.17901	14.7313	HAL2	2100	0	0	0	0.09	
-2102	H10	SLES	1	-15.4557	-4.42297	15.9994	HAL2	2100	0	0	0	0.09	
-2103	C11	SLES	1	-14.6731	-6.30113	15.2015	CTL2	2100	2104	2105	2106	-0.18	
-2104	H11	SLES	1	-15.08	-7.2656	14.8202	HAL2	2103	0	0	0	0.09	
-2105	H11	SLES	1	-14.0546	-6.52532	16.1004	HAL2	2103	0	0	0	0.09	
-2106	C12	SLES	1	-13.7633	-5.67711	14.1118	CTL3	2103	2107	2108	2109	-0.27	
-2107	H12	SLES	1	-13.7426	-6.32508	13.2079	HAL3	2106	0	0	0	0.09	
-2108	H12	SLES	1	-12.724	-5.56693	14.4927	HAL3	2106	0	0	0	0.09	
-2109	H12	SLES	1	-14.1418	-4.67338	13.8197	HAL3	2106	0	0	0	0.09	
-2110	NA	SLES	1	-31.7938	-0.276845	30.6783	NA	0	0	0	0	1	
-2111	S	SLES	1	-31.9825	2.5858	28.4156	SL	2112	2113	2114	2115	1.33	
-2112	OS1	SLES	1	-30.7712	1.42867	28.3793	OSL	2111	2116	0	0	-0.28	
-2113	OS2	SLES	1	-33.2315	1.87531	28.2348	O2L	2111	0	0	0	-0.65	
-2114	OS3	SLES	1	-31.9379	3.17433	29.7378	O2L	2111	0	0	0	-0.65	
-2115	OS4	SLES	1	-31.8534	3.62514	27.4068	O2L	2111	0	0	0	-0.65	
-2116	C2	SLES	1	-29.9169	1.6134	27.1726	CC32A	2112	2117	2118	2119	-0.11	
-2117	H2A	SLES	1	-30.5429	1.60077	26.2371	HCA2	2116	0	0	0	0.09	
-2118	H2B	SLES	1	-29.3988	2.60923	27.2508	HCA2	2116	0	0	0	0.09	
-2119	C1	SLES	1	-28.8279	0.440427	27.1097	CC32A	2116	2120	2121	2122	-0.01	
-2120	H1B	SLES	1	-29.3371	-0.550687	27.1213	HCA2	2119	0	0	0	0.09	
-2121	H1A	SLES	1	-28.1485	0.505606	27.9914	HCA2	2119	0	0	0	0.09	
-2122	O1	SLES	1	-27.9174	0.335135	25.9531	OC30A	2119	2123	0	0	-0.34	
-2123	C2	SLES	1	-27.7779	1.51373	25.132	CC32A	2122	2124	2125	2126	-0.01	
-2124	H2A	SLES	1	-28.8157	1.66417	24.7755	HCA2	2123	0	0	0	0.09	
-2125	H2B	SLES	1	-27.5385	2.30114	25.8817	HCA2	2123	0	0	0	0.09	
-2126	C1	SLES	1	-26.7928	1.62155	23.9257	CC32A	2123	2127	2128	2129	-0.01	
-2127	H1B	SLES	1	-27.3069	1.30489	22.9921	HCA2	2126	0	0	0	0.09	
-2128	H1A	SLES	1	-26.4674	2.67502	23.812	HCA2	2126	0	0	0	0.09	
-2129	O1	SLES	1	-25.5648	0.832062	23.8183	OC30A	2126	2130	0	0	-0.34	
-2130	C1	SLES	1	-24.4702	1.4802	23.0728	CTL2	2129	2131	2132	2133	-0.18	
-2131	H11	SLES	1	-24.8943	2.37601	22.5842	HAL2	2130	0	0	0	0.09	
-2132	H12	SLES	1	-23.8074	1.80675	23.9007	HAL2	2130	0	0	0	0.09	
-2133	C2	SLES	1	-23.6397	0.644977	22.0197	CTL2	2130	2134	2135	2136	-0.18	
-2134	H21	SLES	1	-24.0575	-0.384972	21.9603	HAL2	2133	0	0	0	0.09	
-2135	H22	SLES	1	-22.5868	0.567802	22.369	HAL2	2133	0	0	0	0.09	
-2136	C3	SLES	1	-23.6621	1.30478	20.556	CTL2	2133	2137	2138	2139	-0.18	
-2137	H31	SLES	1	-24.3592	0.726456	19.9095	HAL2	2136	0	0	0	0.09	
-2138	H32	SLES	1	-24.0494	2.34034	20.6323	HAL2	2136	0	0	0	0.09	
-2139	C4	SLES	1	-22.2337	1.33913	19.8697	CTL2	2136	2140	2141	2142	-0.18	
-2140	H41	SLES	1	-22.1736	0.519903	19.1231	HAL2	2139	0	0	0	0.09	
-2141	H42	SLES	1	-21.454	1.15764	20.6406	HAL2	2139	0	0	0	0.09	
-2142	C5	SLES	1	-21.9332	2.72853	19.1458	CTL2	2139	2143	2144	2145	-0.18	
-2143	H51	SLES	1	-22.8921	3.26882	18.9845	HAL2	2142	0	0	0	0.09	
-2144	H52	SLES	1	-21.2958	3.35402	19.8118	HAL2	2142	0	0	0	0.09	
-2145	C6	SLES	1	-21.2073	2.55352	17.7588	CTL2	2142	2146	2147	2148	-0.18	
-2146	H61	SLES	1	-21.932	2.14543	17.019	HAL2	2145	0	0	0	0.09	
-2147	H62	SLES	1	-20.8735	3.55375	17.3961	HAL2	2145	0	0	0	0.09	
-2148	C7	SLES	1	-19.9709	1.60308	17.8382	CTL2	2145	2149	2150	2151	-0.18	
-2149	H71	SLES	1	-20.3213	0.54792	17.7981	HAL2	2148	0	0	0	0.09	
-2150	H72	SLES	1	-19.4555	1.75708	18.8123	HAL2	2148	0	0	0	0.09	
-2151	C8	SLES	1	-18.9601	1.8416	16.6889	CTL2	2148	2152	2153	2154	-0.18	
-2152	H81	SLES	1	-19.5145	1.91259	15.7251	HAL2	2151	0	0	0	0.09	
-2153	H82	SLES	1	-18.4388	2.81122	16.8583	HAL2	2151	0	0	0	0.09	
-2154	C9	SLES	1	-17.9057	0.711317	16.5842	CTL2	2151	2155	2156	2157	-0.18	
-2155	H91	SLES	1	-18.4291	-0.261755	16.4445	HAL2	2154	0	0	0	0.09	
-2156	H92	SLES	1	-17.3333	0.659598	17.5377	HAL2	2154	0	0	0	0.09	
-2157	C10	SLES	1	-16.9174	0.924766	15.4133	CTL2	2154	2158	2159	2160	-0.18	
-2158	H10	SLES	1	-17.4875	0.95318	14.4568	HAL2	2157	0	0	0	0.09	
-2159	H10	SLES	1	-16.4097	1.90769	15.5404	HAL2	2157	0	0	0	0.09	
-2160	C11	SLES	1	-15.8441	-0.19292	15.3302	CTL2	2157	2161	2162	2163	-0.18	
-2161	H11	SLES	1	-16.3565	-1.17303	15.1962	HAL2	2160	0	0	0	0.09	
-2162	H11	SLES	1	-15.2888	-0.229355	16.2953	HAL2	2160	0	0	0	0.09	
-2163	C12	SLES	1	-14.8274	0.00142964	14.1757	CTL3	2160	2164	2165	2166	-0.27	
-2164	H12	SLES	1	-14.8587	-0.868066	13.4826	HAL3	2163	0	0	0	0.09	
-2165	H12	SLES	1	-13.7956	0.0946965	14.5808	HAL3	2163	0	0	0	0.09	
-2166	H12	SLES	1	-15.0666	0.922093	13.6001	HAL3	2163	0	0	0	0.09	
-2167	NA	SLES	1	-29.3247	12.0882	30.7574	NA	0	0	0	0	1	
-2168	S	SLES	1	-29.3479	14.2377	27.8029	SL	2169	2170	2171	2172	1.33	
-2169	OS1	SLES	1	-28.2825	12.9666	28.0404	OSL	2168	2173	0	0	-0.28	
-2170	OS2	SLES	1	-30.6796	13.6727	27.8724	O2L	2168	0	0	0	-0.65	
-2171	OS3	SLES	1	-29.1413	15.1486	28.9092	O2L	2168	0	0	0	-0.65	
-2172	OS4	SLES	1	-29.1741	14.9423	26.5428	O2L	2168	0	0	0	-0.65	
-2173	C2	SLES	1	-27.5018	12.7083	26.7978	CC32A	2169	2174	2175	2176	-0.11	
-2174	H2A	SLES	1	-28.1909	12.5262	25.9265	HCA2	2173	0	0	0	0.09	
-2175	H2B	SLES	1	-26.8691	13.6128	26.579	HCA2	2173	0	0	0	0.09	
-2176	C1	SLES	1	-26.5611	11.4308	27.0188	CC32A	2173	2177	2178	2179	-0.01	
-2177	H1B	SLES	1	-27.178	10.5538	27.3223	HCA2	2176	0	0	0	0.09	
-2178	H1A	SLES	1	-25.817	11.6417	27.8219	HCA2	2176	0	0	0	0.09	
-2179	O1	SLES	1	-25.7543	10.9019	25.9021	OC30A	2176	2180	0	0	-0.34	
-2180	C2	SLES	1	-25.5407	11.7884	24.7836	CC32A	2179	2181	2182	2183	-0.01	
-2181	H2A	SLES	1	-26.5775	11.9707	24.4392	HCA2	2180	0	0	0	0.09	
-2182	H2B	SLES	1	-25.1596	12.7103	25.2778	HCA2	2180	0	0	0	0.09	
-2183	C1	SLES	1	-24.6392	11.44	23.5575	CC32A	2180	2184	2185	2186	-0.01	
-2184	H1B	SLES	1	-25.252	10.9537	22.7676	HCA2	2183	0	0	0	0.09	
-2185	H1A	SLES	1	-24.2047	12.3729	23.1459	HCA2	2183	0	0	0	0.09	
-2186	O1	SLES	1	-23.5203	10.4985	23.6249	OC30A	2183	2187	0	0	-0.34	
-2187	C1	SLES	1	-22.4154	10.7753	22.6887	CTL2	2186	2188	2189	2190	-0.18	
-2188	H11	SLES	1	-22.7686	11.5542	21.9888	HAL2	2187	0	0	0	0.09	
-2189	H12	SLES	1	-21.6618	11.2235	23.3688	HAL2	2187	0	0	0	0.09	
-2190	C2	SLES	1	-21.7638	9.58785	21.8754	CTL2	2187	2191	2192	2193	-0.18	
-2191	H21	SLES	1	-22.2995	8.64285	22.1178	HAL2	2190	0	0	0	0.09	
-2192	H22	SLES	1	-20.7041	9.4716	22.192	HAL2	2190	0	0	0	0.09	
-2193	C3	SLES	1	-21.816	9.82761	20.2885	CTL2	2190	2194	2195	2196	-0.18	
-2194	H31	SLES	1	-22.6193	9.19231	19.8534	HAL2	2193	0	0	0	0.09	
-2195	H32	SLES	1	-22.076	10.8867	20.0915	HAL2	2193	0	0	0	0.09	
-2196	C4	SLES	1	-20.4462	9.49123	19.5654	CTL2	2193	2197	2198	2199	-0.18	
-2197	H41	SLES	1	-20.534	8.50104	19.0715	HAL2	2196	0	0	0	0.09	
-2198	H42	SLES	1	-19.6389	9.42396	20.3261	HAL2	2196	0	0	0	0.09	
-2199	C5	SLES	1	-20.042	10.5842	18.4761	CTL2	2196	2200	2201	2202	-0.18	
-2200	H51	SLES	1	-20.942	11.1808	18.2089	HAL2	2199	0	0	0	0.09	
-2201	H52	SLES	1	-19.2911	11.2776	18.9193	HAL2	2199	0	0	0	0.09	
-2202	C6	SLES	1	-19.4426	9.95085	17.1642	CTL2	2199	2203	2204	2205	-0.18	
-2203	H61	SLES	1	-20.2606	9.45654	16.5935	HAL2	2202	0	0	0	0.09	
-2204	H62	SLES	1	-19.0238	10.765	16.5277	HAL2	2202	0	0	0	0.09	
-2205	C7	SLES	1	-18.3203	8.90483	17.4551	CTL2	2202	2206	2207	2208	-0.18	
-2206	H71	SLES	1	-18.7909	7.93222	17.7204	HAL2	2205	0	0	0	0.09	
-2207	H72	SLES	1	-17.7219	9.24658	18.3287	HAL2	2205	0	0	0	0.09	
-2208	C8	SLES	1	-17.3743	8.69309	16.2469	CTL2	2205	2209	2210	2211	-0.18	
-2209	H81	SLES	1	-17.985	8.57391	15.3226	HAL2	2208	0	0	0	0.09	
-2210	H82	SLES	1	-16.7348	9.5966	16.1227	HAL2	2208	0	0	0	0.09	
-2211	C9	SLES	1	-16.4661	7.44953	16.4173	CTL2	2208	2212	2213	2214	-0.18	
-2212	H91	SLES	1	-17.1058	6.55097	16.571	HAL2	2211	0	0	0	0.09	
-2213	H92	SLES	1	-15.8361	7.58202	17.3256	HAL2	2211	0	0	0	0.09	
-2214	C10	SLES	1	-15.5468	7.21097	15.196	CTL2	2211	2215	2216	2217	-0.18	
-2215	H10	SLES	1	-16.1774	7.05515	14.2911	HAL2	2214	0	0	0	0.09	
-2216	H10	SLES	1	-14.9224	8.11763	15.0282	HAL2	2214	0	0	0	0.09	
-2217	C11	SLES	1	-14.6169	5.98283	15.3831	CTL2	2214	2218	2219	2220	-0.18	
-2218	H11	SLES	1	-15.2462	5.07763	15.5437	HAL2	2217	0	0	0	0.09	
-2219	H11	SLES	1	-14.0014	6.1352	16.299	HAL2	2217	0	0	0	0.09	
-2220	C12	SLES	1	-13.6705	5.72675	14.1818	CTL3	2217	2221	2222	2223	-0.27	
-2221	H12	SLES	1	-13.8507	4.71478	13.7566	HAL3	2220	0	0	0	0.09	
-2222	H12	SLES	1	-12.6084	5.79095	14.506	HAL3	2220	0	0	0	0.09	
-2223	H12	SLES	1	-13.8438	6.48203	13.3845	HAL3	2220	0	0	0	0.09	
-2224	NA	SLES	1	-22.3275	22.7195	30.6168	NA	0	0	0	0	1	
-2225	S	SLES	1	-22.6146	24.1344	27.2603	SL	2226	2227	2228	2229	1.33	
-2226	OS1	SLES	1	-21.6657	22.8099	27.6514	OSL	2225	2230	0	0	-0.28	
-2227	OS2	SLES	1	-23.9684	23.7952	27.647	O2L	2225	0	0	0	-0.65	
-2228	OS3	SLES	1	-22.1305	25.2307	28.073	O2L	2225	0	0	0	-0.65	
-2229	OS4	SLES	1	-22.5794	24.507	25.8552	O2L	2225	0	0	0	-0.65	
-2230	C2	SLES	1	-21.1352	22.1716	26.4139	CC32A	2226	2231	2232	2233	-0.11	
-2231	H2A	SLES	1	-21.9755	21.8994	25.716	HCA2	2230	0	0	0	0.09	
-2232	H2B	SLES	1	-20.4554	22.9044	25.8972	HCA2	2230	0	0	0	0.09	
-2233	C1	SLES	1	-20.3122	20.855	26.8078	CC32A	2230	2234	2235	2236	-0.01	
-2234	H1B	SLES	1	-20.9596	20.1654	27.3969	HCA2	2233	0	0	0	0.09	
-2235	H1A	SLES	1	-19.4264	21.1319	27.4257	HCA2	2233	0	0	0	0.09	
-2236	O1	SLES	1	-19.7639	19.9801	25.7533	OC30A	2233	2237	0	0	-0.34	
-2237	C2	SLES	1	-19.6468	20.5543	24.4345	CC32A	2236	2238	2239	2240	-0.01	
-2238	H2A	SLES	1	-20.7012	20.8009	24.2016	HCA2	2237	0	0	0	0.09	
-2239	H2B	SLES	1	-19.0927	21.4993	24.6328	HCA2	2237	0	0	0	0.09	
-2240	C1	SLES	1	-19.0048	19.8154	23.2183	CC32A	2237	2241	2242	2243	-0.01	
-2241	H1B	SLES	1	-19.789	19.2572	22.6619	HCA2	2240	0	0	0	0.09	
-2242	H1A	SLES	1	-18.5483	20.5608	22.5367	HCA2	2240	0	0	0	0.09	
-2243	O1	SLES	1	-17.9969	18.7631	23.3585	OC30A	2240	2244	0	0	-0.34	
-2244	C1	SLES	1	-17.0406	18.6629	22.2407	CTL2	2243	2245	2246	2247	-0.18	
-2245	H11	SLES	1	-17.4208	19.3077	21.4277	HAL2	2244	0	0	0	0.09	
-2246	H12	SLES	1	-16.1407	19.1396	22.6815	HAL2	2244	0	0	0	0.09	
-2247	C2	SLES	1	-16.6639	17.2431	21.659	CTL2	2244	2248	2249	2250	-0.18	
-2248	H21	SLES	1	-17.2491	16.4626	22.195	HAL2	2247	0	0	0	0.09	
-2249	H22	SLES	1	-15.5847	17.0506	21.8461	HAL2	2247	0	0	0	0.09	
-2250	C3	SLES	1	-16.9543	17.1267	20.0841	CTL2	2247	2251	2252	2253	-0.18	
-2251	H31	SLES	1	-17.8819	16.5315	19.9307	HAL2	2250	0	0	0	0.09	
-2252	H32	SLES	1	-17.1295	18.1409	19.673	HAL2	2250	0	0	0	0.09	
-2253	C4	SLES	1	-15.7681	16.4452	19.2837	CTL2	2250	2254	2255	2256	-0.18	
-2254	H41	SLES	1	-16.0418	15.3925	19.0621	HAL2	2253	0	0	0	0.09	
-2255	H42	SLES	1	-14.8569	16.4353	19.9199	HAL2	2253	0	0	0	0.09	
-2256	C5	SLES	1	-15.4373	17.1977	17.9165	CTL2	2253	2257	2258	2259	-0.18	
-2257	H51	SLES	1	-16.3007	17.8416	17.6384	HAL2	2256	0	0	0	0.09	
-2258	H52	SLES	1	-14.5536	17.8581	18.0707	HAL2	2256	0	0	0	0.09	
-2259	C6	SLES	1	-15.1361	16.208	16.7286	CTL2	2256	2260	2261	2262	-0.18	
-2260	H61	SLES	1	-16.0856	15.7205	16.4129	HAL2	2259	0	0	0	0.09	
-2261	H62	SLES	1	-14.7451	16.7908	15.8621	HAL2	2259	0	0	0	0.09	
-2262	C7	SLES	1	-14.0987	15.1044	17.1083	CTL2	2259	2263	2264	2265	-0.18	
-2263	H71	SLES	1	-14.6191	14.2931	17.664	HAL2	2262	0	0	0	0.09	
-2264	H72	SLES	1	-13.3299	15.5439	17.7822	HAL2	2262	0	0	0	0.09	
-2265	C8	SLES	1	-13.3954	14.495	15.8699	CTL2	2262	2266	2267	2268	-0.18	
-2266	H81	SLES	1	-14.1609	14.2605	15.0951	HAL2	2265	0	0	0	0.09	
-2267	H82	SLES	1	-12.6933	15.2471	15.4434	HAL2	2265	0	0	0	0.09	
-2268	C9	SLES	1	-12.609	13.2045	16.2113	CTL2	2265	2269	2270	2271	-0.18	
-2269	H91	SLES	1	-13.3061	12.4638	16.665	HAL2	2268	0	0	0	0.09	
-2270	H92	SLES	1	-11.8259	13.4456	16.9651	HAL2	2268	0	0	0	0.09	
-2271	C10	SLES	1	-11.9371	12.5701	14.9706	CTL2	2268	2272	2273	2274	-0.18	
-2272	H10	SLES	1	-12.7227	12.3075	14.226	HAL2	2271	0	0	0	0.09	
-2273	H10	SLES	1	-11.2566	13.3177	14.5035	HAL2	2271	0	0	0	0.09	
-2274	C11	SLES	1	-11.125	11.2952	15.3213	CTL2	2271	2275	2276	2277	-0.18	
-2275	H11	SLES	1	-11.8113	10.5481	15.7818	HAL2	2274	0	0	0	0.09	
-2276	H11	SLES	1	-10.3526	11.5591	16.0794	HAL2	2274	0	0	0	0.09	
-2277	C12	SLES	1	-10.4249	10.6445	14.1002	CTL3	2274	2278	2279	2280	-0.27	
-2278	H12	SLES	1	-10.7802	9.59942	13.9626	HAL3	2277	0	0	0	0.09	
-2279	H12	SLES	1	-9.32287	10.6274	14.2504	HAL3	2277	0	0	0	0.09	
-2280	H12	SLES	1	-10.6475	11.2191	13.1748	HAL3	2277	0	0	0	0.09	
-2281	NA	SLES	1	-11.7946	30.0011	30.2143	NA	0	0	0	0	1	
-2282	S	SLES	1	-12.718	30.9323	26.804	SL	2283	2284	2285	2286	1.33	
-2283	OS1	SLES	1	-11.8526	29.5557	27.208	OSL	2282	2287	0	0	-0.28	
-2284	OS2	SLES	1	-13.9693	30.8555	27.5292	O2L	2282	0	0	0	-0.65	
-2285	OS3	SLES	1	-11.9385	32.0538	27.2849	O2L	2282	0	0	0	-0.65	
-2286	OS4	SLES	1	-12.9785	31.0846	25.3815	O2L	2282	0	0	0	-0.65	
-2287	C2	SLES	1	-11.7045	28.6713	26.0179	CC32A	2283	2288	2289	2290	-0.11	
-2288	H2A	SLES	1	-12.7112	28.425	25.5785	HCA2	2287	0	0	0	0.09	
-2289	H2B	SLES	1	-11.092	29.2127	25.2446	HCA2	2287	0	0	0	0.09	
-2290	C1	SLES	1	-10.9589	27.3212	26.4505	CC32A	2287	2291	2292	2293	-0.01	
-2291	H1B	SLES	1	-11.5181	26.828	27.2787	HCA2	2290	0	0	0	0.09	
-2292	H1A	SLES	1	-9.92677	27.5536	26.8023	HCA2	2290	0	0	0	0.09	
-2293	O1	SLES	1	-10.7757	26.2298	25.4742	OC30A	2290	2294	0	0	-0.34	
-2294	C2	SLES	1	-10.9147	26.5799	24.0811	CC32A	2293	2295	2296	2297	-0.01	
-2295	H2A	SLES	1	-11.9611	26.941	24.0427	HCA2	2294	0	0	0	0.09	
-2296	H2B	SLES	1	-10.2304	27.4526	23.9838	HCA2	2294	0	0	0	0.09	
-2297	C1	SLES	1	-10.6648	25.584	22.9051	CC32A	2294	2298	2299	2300	-0.01	
-2298	H1B	SLES	1	-11.6147	25.0706	22.64	HCA2	2297	0	0	0	0.09	
-2299	H1A	SLES	1	-10.3059	26.146	22.0196	HCA2	2297	0	0	0	0.09	
-2300	O1	SLES	1	-9.77264	24.428	23.0072	OC30A	2297	2301	0	0	-0.34	
-2301	C1	SLES	1	-9.12681	24.0254	21.7443	CTL2	2300	2302	2303	2304	-0.18	
-2302	H11	SLES	1	-9.61756	24.5919	20.9322	HAL2	2301	0	0	0	0.09	
-2303	H12	SLES	1	-8.10166	24.4252	21.8877	HAL2	2301	0	0	0	0.09	
-2304	C2	SLES	1	-9.05556	22.4957	21.3556	CTL2	2301	2305	2306	2307	-0.18	
-2305	H21	SLES	1	-9.57723	21.8968	22.1353	HAL2	2304	0	0	0	0.09	
-2306	H22	SLES	1	-7.99031	22.1773	21.335	HAL2	2304	0	0	0	0.09	
-2307	C3	SLES	1	-9.72371	22.1922	19.9273	CTL2	2304	2308	2309	2310	-0.18	
-2308	H31	SLES	1	-10.72	21.7229	20.0869	HAL2	2307	0	0	0	0.09	
-2309	H32	SLES	1	-9.88082	23.1493	19.3912	HAL2	2307	0	0	0	0.09	
-2310	C4	SLES	1	-8.84328	21.2341	19.0222	CTL2	2307	2311	2312	2313	-0.18	
-2311	H41	SLES	1	-9.27429	20.2118	19.0554	HAL2	2310	0	0	0	0.09	
-2312	H42	SLES	1	-7.81339	21.1851	19.4369	HAL2	2310	0	0	0	0.09	
-2313	C5	SLES	1	-8.76825	21.7204	17.5047	CTL2	2310	2314	2315	2316	-0.18	
-2314	H51	SLES	1	-9.59809	22.4354	17.3111	HAL2	2313	0	0	0	0.09	
-2315	H52	SLES	1	-7.80706	22.26	17.3439	HAL2	2313	0	0	0	0.09	
-2316	C6	SLES	1	-8.86772	20.5331	16.4742	CTL2	2313	2317	2318	2319	-0.18	
-2317	H61	SLES	1	-9.91223	20.1485	16.4636	HAL2	2316	0	0	0	0.09	
-2318	H62	SLES	1	-8.63368	20.9184	15.4543	HAL2	2316	0	0	0	0.09	
-2319	C7	SLES	1	-7.89558	19.3579	16.809	CTL2	2316	2320	2321	2322	-0.18	
-2320	H71	SLES	1	-8.35333	18.7223	17.5991	HAL2	2319	0	0	0	0.09	
-2321	H72	SLES	1	-6.94544	19.7748	17.2111	HAL2	2319	0	0	0	0.09	
-2322	C8	SLES	1	-7.57787	18.4764	15.5754	CTL2	2319	2323	2324	2325	-0.18	
-2323	H81	SLES	1	-8.52669	18.2447	15.0393	HAL2	2322	0	0	0	0.09	
-2324	H82	SLES	1	-6.92031	19.0467	14.8804	HAL2	2322	0	0	0	0.09	
-2325	C9	SLES	1	-6.87728	17.1495	15.961	CTL2	2322	2326	2327	2328	-0.18	
-2326	H91	SLES	1	-7.52217	16.5937	16.679	HAL2	2325	0	0	0	0.09	
-2327	H92	SLES	1	-5.91578	17.3819	16.4718	HAL2	2325	0	0	0	0.09	
-2328	C10	SLES	1	-6.59303	16.2478	14.7364	CTL2	2325	2329	2330	2331	-0.18	
-2329	H10	SLES	1	-7.55717	15.9959	14.2386	HAL2	2328	0	0	0	0.09	
-2330	H10	SLES	1	-5.96659	16.8108	14.0079	HAL2	2328	0	0	0	0.09	
-2331	C11	SLES	1	-5.86381	14.9336	15.1226	CTL2	2328	2332	2333	2334	-0.18	
-2332	H11	SLES	1	-6.49736	14.371	15.8459	HAL2	2331	0	0	0	0.09	
-2333	H11	SLES	1	-4.90913	15.1907	15.6359	HAL2	2331	0	0	0	0.09	
-2334	C12	SLES	1	-5.54952	14.0148	13.9136	CTL3	2331	2335	2336	2337	-0.27	
-2335	H12	SLES	1	-6.03836	13.0241	14.0437	HAL3	2334	0	0	0	0.09	
-2336	H12	SLES	1	-4.45197	13.8591	13.8215	HAL3	2334	0	0	0	0.09	
-2337	H12	SLES	1	-5.92261	14.473	12.9718	HAL3	2334	0	0	0	0.09	
-2338	NA	SLES	1	0.723785	32.8436	29.5441	NA	0	0	0	0	1	
-2339	S	SLES	1	-0.987933	33.7208	26.4375	SL	2340	2341	2342	2343	1.33	
-2340	OS1	SLES	1	-0.216712	32.2591	26.7132	OSL	2339	2344	0	0	-0.28	
-2341	OS2	SLES	1	-1.98958	33.8561	27.4747	O2L	2339	0	0	0	-0.65	
-2342	OS3	SLES	1	0.0232839	34.7454	26.5931	O2L	2339	0	0	0	-0.65	
-2343	OS4	SLES	1	-1.61142	33.8358	25.1289	O2L	2339	0	0	0	-0.65	
-2344	C2	SLES	1	-0.511219	31.3037	25.6084	CC32A	2340	2345	2346	2347	-0.11	
-2345	H2A	SLES	1	-1.6222	31.1783	25.4774	HCA2	2344	0	0	0	0.09	
-2346	H2B	SLES	1	-0.0760339	31.7144	24.6554	HCA2	2344	0	0	0	0.09	
-2347	C1	SLES	1	0.156806	29.8864	25.9414	CC32A	2344	2348	2349	2350	-0.01	
-2348	H1B	SLES	1	-0.206555	29.5186	26.9285	HCA2	2347	0	0	0	0.09	
-2349	H1A	SLES	1	1.26617	29.99	25.9828	HCA2	2347	0	0	0	0.09	
-2350	O1	SLES	1	-0.06993	28.7321	25.0502	OC30A	2347	2351	0	0	-0.34	
-2351	C2	SLES	1	-0.545676	29.0272	23.7201	CC32A	2350	2352	2353	2354	-0.01	
-2352	H2A	SLES	1	-1.51051	29.5283	23.9319	HCA2	2351	0	0	0	0.09	
-2353	H2B	SLES	1	0.184905	29.7898	23.3679	HCA2	2351	0	0	0	0.09	
-2354	C1	SLES	1	-0.752646	27.9479	22.6112	CC32A	2351	2355	2356	2357	-0.01	
-2355	H1B	SLES	1	-1.79336	27.5593	22.6555	HCA2	2354	0	0	0	0.09	
-2356	H1A	SLES	1	-0.58774	28.4088	21.6167	HCA2	2354	0	0	0	0.09	
-2357	O1	SLES	1	-0.0129006	26.6854	22.571	OC30A	2354	2358	0	0	-0.34	
-2358	C1	SLES	1	0.205054	26.1333	21.2213	CTL2	2357	2359	2360	2361	-0.18	
-2359	H11	SLES	1	-0.419293	26.7208	20.5241	HAL2	2358	0	0	0	0.09	
-2360	H12	SLES	1	1.27023	26.3928	21.05	HAL2	2358	0	0	0	0.09	
-2361	C2	SLES	1	-0.0186622	24.5909	20.9621	CTL2	2358	2362	2363	2364	-0.18	
-2362	H21	SLES	1	-0.372424	24.1109	21.9019	HAL2	2361	0	0	0	0.09	
-2363	H22	SLES	1	0.952932	24.1263	20.685	HAL2	2361	0	0	0	0.09	
-2364	C3	SLES	1	-1.0873	24.3117	19.7965	CTL2	2361	2365	2366	2367	-0.18	
-2365	H31	SLES	1	-2.0495	23.9947	20.2569	HAL2	2364	0	0	0	0.09	
-2366	H32	SLES	1	-1.2702	25.253	19.2409	HAL2	2364	0	0	0	0.09	
-2367	C4	SLES	1	-0.613576	23.1956	18.7757	CTL2	2364	2368	2369	2370	-0.18	
-2368	H41	SLES	1	-1.13839	22.2463	19.0115	HAL2	2367	0	0	0	0.09	
-2369	H42	SLES	1	0.477133	23.0243	18.9024	HAL2	2367	0	0	0	0.09	
-2370	C5	SLES	1	-0.903288	23.5891	17.2571	CTL2	2367	2371	2372	2373	-0.18	
-2371	H51	SLES	1	-1.66197	24.4023	17.2312	HAL2	2370	0	0	0	0.09	
-2372	H52	SLES	1	0.0335777	23.9805	16.7988	HAL2	2370	0	0	0	0.09	
-2373	C6	SLES	1	-1.42609	22.3768	16.3979	CTL2	2370	2374	2375	2376	-0.18	
-2374	H61	SLES	1	-2.47117	22.1416	16.7005	HAL2	2373	0	0	0	0.09	
-2375	H62	SLES	1	-1.43871	22.6735	15.3231	HAL2	2373	0	0	0	0.09	
-2376	C7	SLES	1	-0.548082	21.0959	16.5612	CTL2	2373	2377	2378	2379	-0.18	
-2377	H71	SLES	1	-0.842459	20.5712	17.497	HAL2	2376	0	0	0	0.09	
-2378	H72	SLES	1	0.519222	21.396	16.6568	HAL2	2376	0	0	0	0.09	
-2379	C8	SLES	1	-0.692491	20.1174	15.369	CTL2	2376	2380	2381	2382	-0.18	
-2380	H81	SLES	1	-1.77331	19.9935	15.1284	HAL2	2379	0	0	0	0.09	
-2381	H82	SLES	1	-0.189205	20.5544	14.4766	HAL2	2379	0	0	0	0.09	
-2382	C9	SLES	1	-0.0776105	18.7269	15.6669	CTL2	2379	2383	2384	2385	-0.18	
-2383	H91	SLES	1	-0.560729	18.3036	16.5767	HAL2	2382	0	0	0	0.09	
-2384	H92	SLES	1	1.00839	18.8485	15.8798	HAL2	2382	0	0	0	0.09	
-2385	C10	SLES	1	-0.25387	17.7336	14.494	CTL2	2382	2386	2387	2388	-0.18	
-2386	H10	SLES	1	-1.3411	17.5938	14.2961	HAL2	2385	0	0	0	0.09	
-2387	H10	SLES	1	0.209623	18.166	13.5785	HAL2	2385	0	0	0	0.09	
-2388	C11	SLES	1	0.390029	16.3518	14.7837	CTL2	2385	2389	2390	2391	-0.18	
-2389	H11	SLES	1	-0.0816287	15.9204	15.6962	HAL2	2388	0	0	0	0.09	
-2390	H11	SLES	1	1.47315	16.4987	14.9986	HAL2	2388	0	0	0	0.09	
-2391	C12	SLES	1	0.244666	15.3381	13.6193	CTL3	2388	2392	2393	2394	-0.27	
-2392	H12	SLES	1	-0.304648	14.4332	13.9609	HAL3	2391	0	0	0	0.09	
-2393	H12	SLES	1	1.24687	15.0263	13.2509	HAL3	2391	0	0	0	0.09	
-2394	H12	SLES	1	-0.316416	15.7956	12.7755	HAL3	2391	0	0	0	0.09	
-2395	NA	SLES	1	13.3954	30.8641	28.6365	NA	0	0	0	0	1	
-2396	S	SLES	1	11.0272	32.1168	26.152	SL	2397	2398	2399	2400	1.33	
-2397	OS1	SLES	1	11.636	30.5559	26.177	OSL	2396	2401	0	0	-0.28	
-2398	OS2	SLES	1	10.3809	32.3235	27.4314	O2L	2396	0	0	0	-0.65	
-2399	OS3	SLES	1	12.1729	32.994	26.0318	O2L	2396	0	0	0	-0.65	
-2400	OS4	SLES	1	10.0874	32.3799	25.074	O2L	2396	0	0	0	-0.65	
-2401	C2	SLES	1	10.9183	29.706	25.1856	CC32A	2397	2402	2403	2404	-0.11	
-2402	H2A	SLES	1	9.80824	29.7308	25.3712	HCA2	2401	0	0	0	0.09	
-2403	H2B	SLES	1	11.1244	30.1079	24.155	HCA2	2401	0	0	0	0.09	
-2404	C1	SLES	1	11.4508	28.1993	25.2953	CC32A	2401	2405	2406	2407	-0.01	
-2405	H1B	SLES	1	11.3283	27.829	26.3391	HCA2	2404	0	0	0	0.09	
-2406	H1A	SLES	1	12.5315	28.158	25.0239	HCA2	2404	0	0	0	0.09	
-2407	O1	SLES	1	10.8294	27.1325	24.4868	OC30A	2404	2408	0	0	-0.34	
-2408	C2	SLES	1	10.0489	27.5563	23.3493	CC32A	2407	2409	2410	2411	-0.01	
-2409	H2A	SLES	1	9.25908	28.1646	23.832	HCA2	2408	0	0	0	0.09	
-2410	H2B	SLES	1	10.7509	28.2369	22.8171	HCA2	2408	0	0	0	0.09	
-2411	C1	SLES	1	9.39629	26.5728	22.3275	CC32A	2408	2412	2413	2414	-0.01	
-2412	H1B	SLES	1	8.36549	26.3186	22.6574	HCA2	2411	0	0	0	0.09	
-2413	H1A	SLES	1	9.34083	27.0611	21.3339	HCA2	2411	0	0	0	0.09	
-2414	O1	SLES	1	9.91491	25.2301	22.0613	OC30A	2411	2415	0	0	-0.34	
-2415	C1	SLES	1	9.6721	24.7272	20.6967	CTL2	2414	2416	2417	2418	-0.18	
-2416	H11	SLES	1	8.96594	25.4259	20.2126	HAL2	2415	0	0	0	0.09	
-2417	H12	SLES	1	10.6732	24.8572	20.2361	HAL2	2415	0	0	0	0.09	
-2418	C2	SLES	1	9.17535	23.242	20.4877	CTL2	2415	2419	2420	2421	-0.18	
-2419	H21	SLES	1	9.03342	22.7618	21.4817	HAL2	2418	0	0	0	0.09	
-2420	H22	SLES	1	9.95855	22.6725	19.941	HAL2	2418	0	0	0	0.09	
-2421	C3	SLES	1	7.79767	23.164	19.6665	CTL2	2418	2422	2423	2424	-0.18	
-2422	H31	SLES	1	6.96671	22.9484	20.3745	HAL2	2421	0	0	0	0.09	
-2423	H32	SLES	1	7.59921	24.1491	19.1993	HAL2	2421	0	0	0	0.09	
-2424	C4	SLES	1	7.81164	22.0524	18.5367	CTL2	2421	2425	2426	2427	-0.18	
-2425	H41	SLES	1	7.2474	21.1668	18.8965	HAL2	2424	0	0	0	0.09	
-2426	H42	SLES	1	8.86039	21.7367	18.3482	HAL2	2424	0	0	0	0.09	
-2427	C5	SLES	1	7.16935	22.5599	17.1675	CTL2	2424	2428	2429	2430	-0.18	
-2428	H51	SLES	1	6.55256	23.4635	17.3687	HAL2	2427	0	0	0	0.09	
-2429	H52	SLES	1	7.98703	22.8522	16.4697	HAL2	2427	0	0	0	0.09	
-2430	C6	SLES	1	6.26728	21.4717	16.4722	CTL2	2427	2431	2432	2433	-0.18	
-2431	H61	SLES	1	5.32502	21.3562	17.0535	HAL2	2430	0	0	0	0.09	
-2432	H62	SLES	1	5.99816	21.8243	15.4491	HAL2	2430	0	0	0	0.09	
-2433	C7	SLES	1	6.97127	20.0822	16.362	CTL2	2430	2434	2435	2436	-0.18	
-2434	H71	SLES	1	6.87857	19.5504	17.3348	HAL2	2433	0	0	0	0.09	
-2435	H72	SLES	1	8.05396	20.238	16.1574	HAL2	2433	0	0	0	0.09	
-2436	C8	SLES	1	6.36889	19.195	15.2441	CTL2	2433	2437	2438	2439	-0.18	
-2437	H81	SLES	1	5.25739	19.2232	15.3161	HAL2	2436	0	0	0	0.09	
-2438	H82	SLES	1	6.66021	19.611	14.2528	HAL2	2436	0	0	0	0.09	
-2439	C9	SLES	1	6.84489	17.7235	15.3355	CTL2	2436	2440	2441	2442	-0.18	
-2440	H91	SLES	1	6.57945	17.3176	16.3381	HAL2	2439	0	0	0	0.09	
-2441	H92	SLES	1	7.95332	17.6938	15.2355	HAL2	2439	0	0	0	0.09	
-2442	C10	SLES	1	6.21553	16.8247	14.2449	CTL2	2439	2443	2444	2445	-0.18	
-2443	H10	SLES	1	5.10758	16.8357	14.3594	HAL2	2442	0	0	0	0.09	
-2444	H10	SLES	1	6.46197	17.2424	13.2426	HAL2	2442	0	0	0	0.09	
-2445	C11	SLES	1	6.71805	15.3585	14.3204	CTL2	2442	2446	2447	2448	-0.18	
-2446	H11	SLES	1	6.46315	14.943	15.3222	HAL2	2445	0	0	0	0.09	
-2447	H11	SLES	1	7.82779	15.3542	14.2236	HAL2	2445	0	0	0	0.09	
-2448	C12	SLES	1	6.11762	14.435	13.229	CTL3	2445	2449	2450	2451	-0.27	
-2449	H12	SLES	1	5.5655	13.5908	13.6978	HAL3	2448	0	0	0	0.09	
-2450	H12	SLES	1	6.92563	14.0178	12.5884	HAL3	2448	0	0	0	0.09	
-2451	H12	SLES	1	5.41312	15.0047	12.5846	HAL3	2448	0	0	0	0.09	
-2452	NA	SLES	1	24.4264	24.4182	27.5533	NA	0	0	0	0	1	
-2453	S	SLES	1	21.7498	26.3005	25.9276	SL	2454	2455	2456	2457	1.33	
-2454	OS1	SLES	1	22.1016	24.6926	25.6143	OSL	2453	2458	0	0	-0.28	
-2455	OS2	SLES	1	21.4692	26.3883	27.3457	O2L	2453	0	0	0	-0.65	
-2456	OS3	SLES	1	22.9528	27.044	25.617	O2L	2453	0	0	0	-0.65	
-2457	OS4	SLES	1	20.6298	26.8316	25.1673	O2L	2453	0	0	0	-0.65	
-2458	C2	SLES	1	21.0458	24.0919	24.7513	CC32A	2454	2459	2460	2461	-0.11	
-2459	H2A	SLES	1	20.03	24.2198	25.2193	HCA2	2458	0	0	0	0.09	
-2460	H2B	SLES	1	21.0569	24.6164	23.7558	HCA2	2458	0	0	0	0.09	
-2461	C1	SLES	1	21.3532	22.5334	24.5451	CC32A	2458	2462	2463	2464	-0.01	
-2462	H1B	SLES	1	21.4303	22.028	25.5352	HCA2	2461	0	0	0	0.09	
-2463	H1A	SLES	1	22.3176	22.4056	24.0004	HCA2	2461	0	0	0	0.09	
-2464	O1	SLES	1	20.4006	21.681	23.8076	OC30A	2461	2465	0	0	-0.34	
-2465	C2	SLES	1	19.4435	22.3598	22.9675	CC32A	2464	2466	2467	2468	-0.01	
-2466	H2A	SLES	1	18.895	22.9781	23.7049	HCA2	2465	0	0	0	0.09	
-2467	H2B	SLES	1	20.0923	23.0246	22.3538	HCA2	2465	0	0	0	0.09	
-2468	C1	SLES	1	18.4225	21.6249	22.0431	CC32A	2465	2469	2470	2471	-0.01	
-2469	H1B	SLES	1	17.4749	21.4479	22.597	HCA2	2468	0	0	0	0.09	
-2470	H1A	SLES	1	18.2049	22.2596	21.1608	HCA2	2468	0	0	0	0.09	
-2471	O1	SLES	1	18.6511	20.2854	21.4989	OC30A	2468	2472	0	0	-0.34	
-2472	C1	SLES	1	18.0137	20.025	20.195	CTL2	2471	2473	2474	2475	-0.18	
-2473	H11	SLES	1	17.3269	20.867	19.9941	HAL2	2472	0	0	0	0.09	
-2474	H12	SLES	1	18.8825	20.1032	19.5092	HAL2	2472	0	0	0	0.09	
-2475	C2	SLES	1	17.261	18.6573	19.952	CTL2	2472	2476	2477	2478	-0.18	
-2476	H21	SLES	1	17.2908	18.0538	20.8867	HAL2	2475	0	0	0	0.09	
-2477	H22	SLES	1	17.7937	18.0875	19.1595	HAL2	2475	0	0	0	0.09	
-2478	C3	SLES	1	15.731	18.8669	19.512	CTL2	2475	2479	2480	2481	-0.18	
-2479	H31	SLES	1	15.0718	18.6476	20.3812	HAL2	2478	0	0	0	0.09	
-2480	H32	SLES	1	15.5786	19.9274	19.2288	HAL2	2478	0	0	0	0.09	
-2481	C4	SLES	1	15.3035	17.9434	18.2968	CTL2	2478	2482	2483	2484	-0.18	
-2482	H41	SLES	1	14.7142	17.087	18.6858	HAL2	2481	0	0	0	0.09	
-2483	H42	SLES	1	16.2155	17.5376	17.8083	HAL2	2481	0	0	0	0.09	
-2484	C5	SLES	1	14.436	18.7229	17.2084	CTL2	2481	2485	2486	2487	-0.18	
-2485	H51	SLES	1	14.0307	19.6527	17.6651	HAL2	2484	0	0	0	0.09	
-2486	H52	SLES	1	15.0967	19.0176	16.3612	HAL2	2484	0	0	0	0.09	
-2487	C6	SLES	1	13.2383	17.8657	16.6496	CTL2	2484	2488	2489	2490	-0.18	
-2488	H61	SLES	1	12.4572	17.7768	17.4376	HAL2	2487	0	0	0	0.09	
-2489	H62	SLES	1	12.7882	18.397	15.7787	HAL2	2487	0	0	0	0.09	
-2490	C7	SLES	1	13.6751	16.435	16.2016	CTL2	2487	2491	2492	2493	-0.18	
-2491	H71	SLES	1	13.739	15.7782	17.0973	HAL2	2490	0	0	0	0.09	
-2492	H72	SLES	1	14.6876	16.4904	15.7432	HAL2	2490	0	0	0	0.09	
-2493	C8	SLES	1	12.6938	15.803	15.1832	CTL2	2490	2494	2495	2496	-0.18	
-2494	H81	SLES	1	11.6498	15.9514	15.5431	HAL2	2493	0	0	0	0.09	
-2495	H82	SLES	1	12.7981	16.3253	14.205	HAL2	2493	0	0	0	0.09	
-2496	C9	SLES	1	12.9479	14.2885	14.9782	CTL2	2493	2497	2498	2499	-0.18	
-2497	H91	SLES	1	12.8726	13.7712	15.9616	HAL2	2496	0	0	0	0.09	
-2498	H92	SLES	1	13.9819	14.1431	14.592	HAL2	2496	0	0	0	0.09	
-2499	C10	SLES	1	11.9455	13.6441	13.9915	CTL2	2496	2500	2501	2502	-0.18	
-2500	H10	SLES	1	10.9125	13.769	14.3893	HAL2	2499	0	0	0	0.09	
-2501	H10	SLES	1	12.0044	14.1752	13.0146	HAL2	2499	0	0	0	0.09	
-2502	C11	SLES	1	12.222	12.1341	13.765	CTL2	2499	2503	2504	2505	-0.18	
-2503	H11	SLES	1	12.1552	11.6064	14.7438	HAL2	2502	0	0	0	0.09	
-2504	H11	SLES	1	13.262	12.0131	13.3844	HAL2	2502	0	0	0	0.09	
-2505	C12	SLES	1	11.2434	11.4623	12.7672	CTL3	2502	2506	2507	2508	-0.27	
-2506	H12	SLES	1	10.6982	10.6288	13.2625	HAL3	2505	0	0	0	0.09	
-2507	H12	SLES	1	11.8005	11.0531	11.8957	HAL3	2505	0	0	0	0.09	
-2508	H12	SLES	1	10.4999	12.2015	12.3971	HAL3	2505	0	0	0	0.09	
-2509	NA	SLES	1	32.3471	14.4891	26.3783	NA	0	0	0	0	1	
-2510	S	SLES	1	29.764	16.9924	25.7366	SL	2511	2512	2513	2514	1.33	
-2511	OS1	SLES	1	29.7975	15.4675	25.0432	OSL	2510	2515	0	0	-0.28	
-2512	OS2	SLES	1	29.7483	16.7888	27.1704	O2L	2510	0	0	0	-0.65	
-2513	OS3	SLES	1	30.9984	17.6402	25.3449	O2L	2510	0	0	0	-0.65	
-2514	OS4	SLES	1	28.6288	17.81	25.34	O2L	2510	0	0	0	-0.65	
-2515	C2	SLES	1	28.5277	15.2065	24.3086	CC32A	2511	2516	2517	2518	-0.11	
-2516	H2A	SLES	1	27.6405	15.3436	24.9878	HCA2	2515	0	0	0	0.09	
-2517	H2B	SLES	1	28.4509	15.938	23.4569	HCA2	2515	0	0	0	0.09	
-2518	C1	SLES	1	28.5441	13.7103	23.7368	CC32A	2515	2519	2520	2521	-0.01	
-2519	H1B	SLES	1	28.7088	12.9881	24.5693	HCA2	2518	0	0	0	0.09	
-2520	H1A	SLES	1	29.3682	13.5967	22.9944	HCA2	2518	0	0	0	0.09	
-2521	O1	SLES	1	27.3563	13.1654	23.0512	OC30A	2518	2522	0	0	-0.34	
-2522	C2	SLES	1	26.3892	14.1247	22.5748	CC32A	2521	2523	2524	2525	-0.01	
-2523	H2A	SLES	1	26.0804	14.6199	23.5162	HCA2	2522	0	0	0	0.09	
-2524	H2B	SLES	1	27.0202	14.8302	21.9886	HCA2	2522	0	0	0	0.09	
-2525	C1	SLES	1	25.1214	13.7438	21.7473	CC32A	2522	2526	2527	2528	-0.01	
-2526	H1B	SLES	1	24.2669	13.5587	22.4341	HCA2	2525	0	0	0	0.09	
-2527	H1A	SLES	1	24.8591	14.5831	21.0725	HCA2	2525	0	0	0	0.09	
-2528	O1	SLES	1	25.038	12.5452	20.9112	OC30A	2525	2529	0	0	-0.34	
-2529	C1	SLES	1	24.1534	12.664	19.7376	CTL2	2528	2530	2531	2532	-0.18	
-2530	H11	SLES	1	23.5845	13.6045	19.8521	HAL2	2529	0	0	0	0.09	
-2531	H12	SLES	1	24.8929	12.7928	18.9205	HAL2	2529	0	0	0	0.09	
-2532	C2	SLES	1	23.163	11.4853	19.3826	CTL2	2529	2533	2534	2535	-0.18	
-2533	H21	SLES	1	23.2565	10.6864	20.1519	HAL2	2532	0	0	0	0.09	
-2534	H22	SLES	1	23.4547	11.0513	18.4012	HAL2	2532	0	0	0	0.09	
-2535	C3	SLES	1	21.6331	11.9677	19.3113	CTL2	2532	2536	2537	2538	-0.18	
-2536	H31	SLES	1	21.1064	11.6362	20.2338	HAL2	2535	0	0	0	0.09	
-2537	H32	SLES	1	21.6044	13.0752	19.2829	HAL2	2535	0	0	0	0.09	
-2538	C4	SLES	1	20.8626	11.4006	18.0476	CTL2	2535	2539	2540	2541	-0.18	
-2539	H41	SLES	1	20.2205	10.5537	18.368	HAL2	2538	0	0	0	0.09	
-2540	H42	SLES	1	21.6013	11.0117	17.314	HAL2	2538	0	0	0	0.09	
-2541	C5	SLES	1	19.956	12.5029	17.3352	CTL2	2538	2542	2543	2544	-0.18	
-2542	H51	SLES	1	19.7876	13.3461	18.041	HAL2	2541	0	0	0	0.09	
-2543	H52	SLES	1	20.4998	12.9022	16.4487	HAL2	2541	0	0	0	0.09	
-2544	C6	SLES	1	18.5597	11.9417	16.8694	CTL2	2541	2545	2546	2547	-0.18	
-2545	H61	SLES	1	17.9212	11.769	17.7647	HAL2	2544	0	0	0	0.09	
-2546	H62	SLES	1	18.0568	12.7058	16.2317	HAL2	2544	0	0	0	0.09	
-2547	C7	SLES	1	18.6807	10.6087	16.0654	CTL2	2544	2548	2549	2550	-0.18	
-2548	H71	SLES	1	18.7924	9.76304	16.7797	HAL2	2547	0	0	0	0.09	
-2549	H72	SLES	1	19.5954	10.647	15.4327	HAL2	2547	0	0	0	0.09	
-2550	C8	SLES	1	17.4517	10.3439	15.1604	CTL2	2547	2551	2552	2553	-0.18	
-2551	H81	SLES	1	16.5219	10.5287	15.7458	HAL2	2550	0	0	0	0.09	
-2552	H82	SLES	1	17.4682	11.0584	14.3061	HAL2	2550	0	0	0	0.09	
-2553	C9	SLES	1	17.4236	8.89622	14.6093	CTL2	2550	2554	2555	2556	-0.18	
-2554	H91	SLES	1	17.437	8.18205	15.4637	HAL2	2553	0	0	0	0.09	
-2555	H92	SLES	1	18.3398	8.72154	14.0013	HAL2	2553	0	0	0	0.09	
-2556	C10	SLES	1	16.1776	8.6148	13.7365	CTL2	2553	2557	2558	2559	-0.18	
-2557	H10	SLES	1	15.2612	8.76685	14.3513	HAL2	2556	0	0	0	0.09	
-2558	H10	SLES	1	16.1515	9.34281	12.8943	HAL2	2556	0	0	0	0.09	
-2559	C11	SLES	1	16.1682	7.17368	13.1612	CTL2	2556	2560	2561	2562	-0.18	
-2560	H11	SLES	1	16.1874	6.4494	14.0074	HAL2	2559	0	0	0	0.09	
-2561	H11	SLES	1	17.0949	7.02057	12.5623	HAL2	2559	0	0	0	0.09	
-2562	C12	SLES	1	14.9391	6.86548	12.2675	CTL3	2559	2563	2564	2565	-0.27	
-2563	H12	SLES	1	14.3617	6.01144	12.6854	HAL3	2562	0	0	0	0.09	
-2564	H12	SLES	1	15.2664	6.60186	11.2376	HAL3	2562	0	0	0	0.09	
-2565	H12	SLES	1	14.2698	7.75151	12.2107	HAL3	2562	0	0	0	0.09	
-2566	NA	SLES	1	36.2021	2.47731	25.2062	NA	0	0	0	0	1	
-2567	S	SLES	1	33.9935	5.3681	25.5468	SL	2568	2569	2570	2571	1.33	
-2568	OS1	SLES	1	33.7355	4.09983	24.4827	OSL	2567	2572	0	0	-0.28	
-2569	OS2	SLES	1	34.0613	4.78348	26.8701	O2L	2567	0	0	0	-0.65	
-2570	OS3	SLES	1	35.2777	5.93582	25.193	O2L	2567	0	0	0	-0.65	
-2571	OS4	SLES	1	32.9701	6.40051	25.5133	O2L	2567	0	0	0	-0.65	
-2572	C2	SLES	1	32.386	4.21368	23.8614	CC32A	2568	2573	2574	2575	-0.11	
-2573	H2A	SLES	1	31.5879	4.27127	24.6532	HCA2	2572	0	0	0	0.09	
-2574	H2B	SLES	1	32.3552	5.15394	23.244	HCA2	2572	0	0	0	0.09	
-2575	C1	SLES	1	32.1255	2.94171	22.9233	CC32A	2572	2576	2577	2578	-0.01	
-2576	H1B	SLES	1	32.2427	2.00435	23.5144	HCA2	2575	0	0	0	0.09	
-2577	H1A	SLES	1	32.8601	2.93183	22.0846	HCA2	2575	0	0	0	0.09	
-2578	O1	SLES	1	30.8167	2.76097	22.2656	OC30A	2575	2579	0	0	-0.34	
-2579	C2	SLES	1	29.9744	3.92902	22.1725	CC32A	2578	2580	2581	2582	-0.01	
-2580	H2A	SLES	1	29.822	4.18268	23.2399	HCA2	2579	0	0	0	0.09	
-2581	H2B	SLES	1	30.6577	4.68182	21.7189	HCA2	2579	0	0	0	0.09	
-2582	C1	SLES	1	28.6008	3.9537	21.4309	CC32A	2579	2583	2584	2585	-0.01	
-2583	H1B	SLES	1	27.7857	3.69786	22.1424	HCA2	2582	0	0	0	0.09	
-2584	H1A	SLES	1	28.4181	4.97193	21.0329	HCA2	2582	0	0	0	0.09	
-2585	O1	SLES	1	28.2667	3.05045	20.3285	OC30A	2582	2586	0	0	-0.34	
-2586	C1	SLES	1	27.32	3.59752	19.3393	CTL2	2585	2587	2588	2589	-0.18	
-2587	H11	SLES	1	26.9142	4.53513	19.7605	HAL2	2586	0	0	0	0.09	
-2588	H12	SLES	1	28.0028	3.84992	18.5019	HAL2	2586	0	0	0	0.09	
-2589	C2	SLES	1	26.1344	2.69696	18.8107	CTL2	2586	2590	2591	2592	-0.18	
-2590	H21	SLES	1	26.1647	1.71284	19.3298	HAL2	2589	0	0	0	0.09	
-2591	H22	SLES	1	26.2761	2.51483	17.7229	HAL2	2589	0	0	0	0.09	
-2592	C3	SLES	1	24.6965	3.37097	19.0489	CTL2	2589	2593	2594	2595	-0.18	
-2593	H31	SLES	1	24.2005	2.86941	19.9096	HAL2	2592	0	0	0	0.09	
-2594	H32	SLES	1	24.8369	4.43825	19.3124	HAL2	2592	0	0	0	0.09	
-2595	C4	SLES	1	23.7491	3.2743	17.7819	CTL2	2592	2596	2597	2598	-0.18	
-2596	H41	SLES	1	23.0117	2.46089	17.9455	HAL2	2595	0	0	0	0.09	
-2597	H42	SLES	1	24.3578	3.01038	16.8904	HAL2	2595	0	0	0	0.09	
-2598	C5	SLES	1	22.9694	4.63561	17.4925	CTL2	2595	2599	2600	2601	-0.18	
-2599	H51	SLES	1	22.9903	5.26764	18.4077	HAL2	2598	0	0	0	0.09	
-2600	H52	SLES	1	23.4957	5.18969	16.682	HAL2	2598	0	0	0	0.09	
-2601	C6	SLES	1	21.4705	4.4057	17.0661	CTL2	2598	2602	2603	2604	-0.18	
-2602	H61	SLES	1	20.8867	4.0772	17.9551	HAL2	2601	0	0	0	0.09	
-2603	H62	SLES	1	21.0423	5.37272	16.7126	HAL2	2601	0	0	0	0.09	
-2604	C7	SLES	1	21.3196	3.33952	15.9353	CTL2	2601	2605	2606	2607	-0.18	
-2605	H71	SLES	1	21.3562	2.3236	16.3873	HAL2	2604	0	0	0	0.09	
-2606	H72	SLES	1	22.1756	3.4329	15.2304	HAL2	2604	0	0	0	0.09	
-2607	C8	SLES	1	19.996	3.49118	15.1449	CTL2	2604	2608	2609	2610	-0.18	
-2608	H81	SLES	1	19.1557	3.62538	15.8641	HAL2	2607	0	0	0	0.09	
-2609	H82	SLES	1	20.0542	4.40411	14.5095	HAL2	2607	0	0	0	0.09	
-2610	C9	SLES	1	19.7007	2.26549	14.2445	CTL2	2607	2611	2612	2613	-0.18	
-2611	H91	SLES	1	19.672	1.34902	14.8766	HAL2	2610	0	0	0	0.09	
-2612	H92	SLES	1	20.5273	2.14885	13.5078	HAL2	2610	0	0	0	0.09	
-2613	C10	SLES	1	18.3603	2.39461	13.4827	CTL2	2610	2614	2615	2616	-0.18	
-2614	H10	SLES	1	17.5306	2.48787	14.22	HAL2	2613	0	0	0	0.09	
-2615	H10	SLES	1	18.3797	3.32254	12.8674	HAL2	2613	0	0	0	0.09	
-2616	C11	SLES	1	18.0826	1.17941	12.5586	CTL2	2613	2617	2618	2619	-0.18	
-2617	H11	SLES	1	18.0574	0.254815	13.1795	HAL2	2616	0	0	0	0.09	
-2618	H11	SLES	1	18.9237	1.07951	11.8349	HAL2	2616	0	0	0	0.09	
-2619	C12	SLES	1	16.7531	1.28661	11.7677	CTL3	2616	2620	2621	2622	-0.27	
-2620	H12	SLES	1	16.0862	0.431434	12.0152	HAL3	2619	0	0	0	0.09	
-2621	H12	SLES	1	16.9523	1.27558	10.6734	HAL3	2619	0	0	0	0.09	
-2622	H12	SLES	1	16.2263	2.23198	12.0225	HAL3	2619	0	0	0	0.09	
-2623	NA	SLES	1	35.6221	-10.0441	24.1302	NA	0	0	0	0	1	
-2624	S	SLES	1	33.8439	-7.08467	25.3261	SL	2625	2626	2627	2628	1.33	
-2625	OS1	SLES	1	33.4301	-7.94585	23.9497	OSL	2624	2629	0	0	-0.28	
-2626	OS2	SLES	1	33.7982	-8.02594	26.4258	O2L	2624	0	0	0	-0.65	
-2627	OS3	SLES	1	35.2036	-6.63023	25.1233	O2L	2624	0	0	0	-0.65	
-2628	OS4	SLES	1	32.98	-5.94977	25.6093	O2L	2624	0	0	0	-0.65	
-2629	C2	SLES	1	32.1248	-7.46685	23.414	CC32A	2625	2630	2631	2632	-0.11	
-2630	H2A	SLES	1	31.326	-7.52353	24.2052	HCA2	2629	0	0	0	0.09	
-2631	H2B	SLES	1	32.2426	-6.39527	23.0914	HCA2	2629	0	0	0	0.09	
-2632	C1	SLES	1	31.7052	-8.36711	22.1573	CC32A	2629	2633	2634	2635	-0.01	
-2633	H1B	SLES	1	31.6738	-9.44085	22.4538	HCA2	2632	0	0	0	0.09	
-2634	H1A	SLES	1	32.449	-8.24272	21.3361	HCA2	2632	0	0	0	0.09	
-2635	O1	SLES	1	30.3988	-8.16277	21.502	OC30A	2632	2636	0	0	-0.34	
-2636	C2	SLES	1	29.7349	-6.90834	21.7631	CC32A	2635	2637	2638	2639	-0.01	
-2637	H2A	SLES	1	29.5971	-6.9506	22.8613	HCA2	2636	0	0	0	0.09	
-2638	H2B	SLES	1	30.5288	-6.16373	21.5296	HCA2	2636	0	0	0	0.09	
-2639	C1	SLES	1	28.3956	-6.47608	21.0873	CC32A	2636	2640	2641	2642	-0.01	
-2640	H1B	SLES	1	27.5369	-6.80442	21.7124	HCA2	2639	0	0	0	0.09	
-2641	H1A	SLES	1	28.3695	-5.37138	21.0002	HCA2	2639	0	0	0	0.09	
-2642	O1	SLES	1	27.9597	-6.9695	19.7798	OC30A	2639	2643	0	0	-0.34	
-2643	C1	SLES	1	27.1231	-6.03288	19.0073	CTL2	2642	2644	2645	2646	-0.18	
-2644	H11	SLES	1	26.8468	-5.20625	19.6866	HAL2	2643	0	0	0	0.09	
-2645	H12	SLES	1	27.8532	-5.65285	18.2631	HAL2	2643	0	0	0	0.09	
-2646	C2	SLES	1	25.8325	-6.56514	18.2676	CTL2	2643	2647	2648	2649	-0.18	
-2647	H21	SLES	1	25.71	-7.65014	18.4834	HAL2	2646	0	0	0	0.09	
-2648	H22	SLES	1	25.9704	-6.44773	17.1704	HAL2	2646	0	0	0	0.09	
-2649	C3	SLES	1	24.5012	-5.78786	18.7172	CTL2	2646	2650	2651	2652	-0.18	
-2650	H31	SLES	1	23.9197	-6.43743	19.4086	HAL2	2649	0	0	0	0.09	
-2651	H32	SLES	1	24.7874	-4.87183	19.2714	HAL2	2649	0	0	0	0.09	
-2652	C4	SLES	1	23.5778	-5.38189	17.4946	CTL2	2649	2653	2654	2655	-0.18	
-2653	H41	SLES	1	22.7279	-6.09343	17.434	HAL2	2652	0	0	0	0.09	
-2654	H42	SLES	1	24.1617	-5.46506	16.5528	HAL2	2652	0	0	0	0.09	
-2655	C5	SLES	1	23.0079	-3.89734	17.6216	CTL2	2652	2656	2657	2658	-0.18	
-2656	H51	SLES	1	23.0991	-3.56252	18.6785	HAL2	2655	0	0	0	0.09	
-2657	H52	SLES	1	23.6258	-3.21663	16.9925	HAL2	2655	0	0	0	0.09	
-2658	C6	SLES	1	21.5012	-3.77823	17.1776	CTL2	2655	2659	2660	2661	-0.18	
-2659	H61	SLES	1	20.857	-4.25928	17.9474	HAL2	2658	0	0	0	0.09	
-2660	H62	SLES	1	21.2239	-2.69951	17.1235	HAL2	2658	0	0	0	0.09	
-2661	C7	SLES	1	21.2238	-4.44425	15.7927	CTL2	2658	2662	2663	2664	-0.18	
-2662	H71	SLES	1	21.1044	-5.54116	15.9352	HAL2	2661	0	0	0	0.09	
-2663	H72	SLES	1	22.0995	-4.27762	15.1267	HAL2	2661	0	0	0	0.09	
-2664	C8	SLES	1	19.9532	-3.88491	15.1054	CTL2	2661	2665	2666	2667	-0.18	
-2665	H81	SLES	1	19.1253	-3.84223	15.8498	HAL2	2664	0	0	0	0.09	
-2666	H82	SLES	1	20.1556	-2.84688	14.7559	HAL2	2664	0	0	0	0.09	
-2667	C9	SLES	1	19.505	-4.74708	13.8987	CTL2	2664	2668	2669	2670	-0.18	
-2668	H91	SLES	1	19.3314	-5.79177	14.2434	HAL2	2667	0	0	0	0.09	
-2669	H92	SLES	1	20.3223	-4.76618	13.1429	HAL2	2667	0	0	0	0.09	
-2670	C10	SLES	1	18.2141	-4.21486	13.2327	CTL2	2667	2671	2672	2673	-0.18	
-2671	H10	SLES	1	17.3903	-4.21764	13.9824	HAL2	2670	0	0	0	0.09	
-2672	H10	SLES	1	18.3797	-3.16278	12.9075	HAL2	2670	0	0	0	0.09	
-2673	C11	SLES	1	17.7853	-5.06284	12.0059	CTL2	2670	2674	2675	2676	-0.18	
-2674	H11	SLES	1	17.6142	-6.11254	12.3375	HAL2	2673	0	0	0	0.09	
-2675	H11	SLES	1	18.619	-5.07186	11.267	HAL2	2673	0	0	0	0.09	
-2676	C12	SLES	1	16.5025	-4.54466	11.3055	CTL3	2673	2677	2678	2679	-0.27	
-2677	H12	SLES	1	15.7146	-5.32983	11.312	HAL3	2676	0	0	0	0.09	
-2678	H12	SLES	1	16.722	-4.27151	10.2498	HAL3	2676	0	0	0	0.09	
-2679	H12	SLES	1	16.1113	-3.64581	11.83	HAL3	2676	0	0	0	0.09	
-2680	NA	SLES	1	30.7921	-21.5478	23.2298	NA	0	0	0	0	1	
-2681	S	SLES	1	29.2895	-18.7564	25.0466	SL	2682	2683	2684	2685	1.33	
-2682	OS1	SLES	1	28.9353	-19.1519	23.4574	OSL	2681	2686	0	0	-0.28	
-2683	OS2	SLES	1	28.9868	-19.9315	25.8371	O2L	2681	0	0	0	-0.65	
-2684	OS3	SLES	1	30.712	-18.4887	25.0875	O2L	2681	0	0	0	-0.65	
-2685	OS4	SLES	1	28.5556	-17.6112	25.5606	O2L	2681	0	0	0	-0.65	
-2686	C2	SLES	1	27.7793	-18.3474	22.9707	CC32A	2682	2687	2688	2689	-0.11	
-2687	H2A	SLES	1	26.8902	-18.4794	23.6484	HCA2	2686	0	0	0	0.09	
-2688	H2B	SLES	1	28.0762	-17.262	22.9663	HCA2	2686	0	0	0	0.09	
-2689	C1	SLES	1	27.3996	-18.8104	21.485	CC32A	2686	2690	2691	2692	-0.01	
-2690	H1B	SLES	1	27.1908	-19.9049	21.4707	HCA2	2689	0	0	0	0.09	
-2691	H1A	SLES	1	28.2473	-18.5973	20.7927	HCA2	2689	0	0	0	0.09	
-2692	O1	SLES	1	26.2209	-18.236	20.8078	OC30A	2689	2693	0	0	-0.34	
-2693	C2	SLES	1	25.7021	-17.0033	21.3497	CC32A	2692	2694	2695	2696	-0.01	
-2694	H2A	SLES	1	25.4279	-17.3072	22.3789	HCA2	2693	0	0	0	0.09	
-2695	H2B	SLES	1	26.61	-16.3606	21.3954	HCA2	2693	0	0	0	0.09	
-2696	C1	SLES	1	24.5236	-16.2013	20.7131	CC32A	2693	2697	2698	2699	-0.01	
-2697	H1B	SLES	1	23.5596	-16.5391	21.152	HCA2	2696	0	0	0	0.09	
-2698	H1A	SLES	1	24.6547	-15.1226	20.9318	HCA2	2696	0	0	0	0.09	
-2699	O1	SLES	1	24.1879	-16.2611	19.2895	OC30A	2696	2700	0	0	-0.34	
-2700	C1	SLES	1	23.5824	-15.0342	18.7397	CTL2	2699	2701	2702	2703	-0.18	
-2701	H11	SLES	1	23.3377	-14.3797	19.5958	HAL2	2700	0	0	0	0.09	
-2702	H12	SLES	1	24.4411	-14.5956	18.1906	HAL2	2700	0	0	0	0.09	
-2703	C2	SLES	1	22.3318	-15.1419	17.7802	CTL2	2700	2704	2705	2706	-0.18	
-2704	H21	SLES	1	22.0416	-16.2115	17.6782	HAL2	2703	0	0	0	0.09	
-2705	H22	SLES	1	22.616	-14.7666	16.7727	HAL2	2703	0	0	0	0.09	
-2706	C3	SLES	1	21.0706	-14.3056	18.3173	CTL2	2703	2707	2708	2709	-0.18	
-2707	H31	SLES	1	20.3288	-15.0109	18.7537	HAL2	2706	0	0	0	0.09	
-2708	H32	SLES	1	21.4063	-13.6235	19.1236	HAL2	2706	0	0	0	0.09	
-2709	C4	SLES	1	20.3639	-13.453	17.1833	CTL2	2706	2710	2711	2712	-0.18	
-2710	H41	SLES	1	19.4411	-13.9786	16.8605	HAL2	2709	0	0	0	0.09	
-2711	H42	SLES	1	21.0415	-13.3806	16.3054	HAL2	2709	0	0	0	0.09	
-2712	C5	SLES	1	19.9844	-11.9812	17.6677	CTL2	2709	2713	2714	2715	-0.18	
-2713	H51	SLES	1	19.9904	-11.9521	18.7797	HAL2	2712	0	0	0	0.09	
-2714	H52	SLES	1	20.7585	-11.2683	17.3025	HAL2	2712	0	0	0	0.09	
-2715	C6	SLES	1	18.5717	-11.511	17.1533	CTL2	2712	2716	2717	2718	-0.18	
-2716	H61	SLES	1	17.781	-12.0662	17.7061	HAL2	2715	0	0	0	0.09	
-2717	H62	SLES	1	18.4482	-10.4254	17.3762	HAL2	2715	0	0	0	0.09	
-2718	C7	SLES	1	18.3783	-11.7403	15.6208	CTL2	2715	2719	2720	2721	-0.18	
-2719	H71	SLES	1	18.0985	-12.8027	15.4455	HAL2	2718	0	0	0	0.09	
-2720	H72	SLES	1	19.3426	-11.5486	15.0996	HAL2	2718	0	0	0	0.09	
-2721	C8	SLES	1	17.2857	-10.8254	15.0137	CTL2	2718	2722	2723	2724	-0.18	
-2722	H81	SLES	1	16.3867	-10.8459	15.6715	HAL2	2721	0	0	0	0.09	
-2723	H82	SLES	1	17.6645	-9.77849	14.9812	HAL2	2721	0	0	0	0.09	
-2724	C9	SLES	1	16.8768	-11.2605	13.5841	CTL2	2721	2725	2726	2727	-0.18	
-2725	H91	SLES	1	16.526	-12.3172	13.6125	HAL2	2724	0	0	0	0.09	
-2726	H92	SLES	1	17.7699	-11.2129	12.921	HAL2	2724	0	0	0	0.09	
-2727	C10	SLES	1	15.7579	-10.3737	12.9882	CTL2	2724	2728	2729	2730	-0.18	
-2728	H10	SLES	1	14.8563	-10.4396	13.639	HAL2	2727	0	0	0	0.09	
-2729	H10	SLES	1	16.0995	-9.31387	12.98	HAL2	2727	0	0	0	0.09	
-2730	C11	SLES	1	15.3725	-10.7932	11.5448	CTL2	2727	2731	2732	2733	-0.18	
-2731	H11	SLES	1	15.0251	-11.8516	11.5595	HAL2	2730	0	0	0	0.09	
-2732	H11	SLES	1	16.2809	-10.743	10.902	HAL2	2730	0	0	0	0.09	
-2733	C12	SLES	1	14.2639	-9.91212	10.9129	CTL3	2730	2734	2735	2736	-0.27	
-2734	H12	SLES	1	13.3841	-10.5353	10.6391	HAL3	2733	0	0	0	0.09	
-2735	H12	SLES	1	14.6439	-9.41243	9.99458	HAL3	2733	0	0	0	0.09	
-2736	H12	SLES	1	13.9345	-9.13011	11.6312	HAL3	2733	0	0	0	0.09	
-2737	NA	SLES	1	22.3578	-30.7115	22.5614	NA	0	0	0	0	1	
-2738	S	SLES	1	20.8846	-28.1311	24.6878	SL	2739	2740	2741	2742	1.33	
-2739	OS1	SLES	1	20.816	-28.1311	23.0137	OSL	2738	2743	0	0	-0.28	
-2740	OS2	SLES	1	20.2783	-29.3729	25.1213	O2L	2738	0	0	0	-0.65	
-2741	OS3	SLES	1	22.2907	-28.1229	25.0334	O2L	2738	0	0	0	-0.65	
-2742	OS4	SLES	1	20.2136	-27.0057	25.3184	O2L	2738	0	0	0	-0.65	
-2743	C2	SLES	1	19.8971	-27.0603	22.5347	CC32A	2739	2744	2745	2746	-0.11	
-2744	H2A	SLES	1	18.8786	-27.1735	23.0003	HCA2	2743	0	0	0	0.09	
-2745	H2B	SLES	1	20.325	-26.063	22.8323	HCA2	2743	0	0	0	0.09	
-2746	C1	SLES	1	19.7741	-27.142	20.9397	CC32A	2743	2747	2748	2749	-0.01	
-2747	H1B	SLES	1	19.4343	-28.1593	20.6373	HCA2	2746	0	0	0	0.09	
-2748	H1A	SLES	1	20.7659	-26.9406	20.4717	HCA2	2746	0	0	0	0.09	
-2749	O1	SLES	1	18.8427	-26.2509	20.2212	OC30A	2746	2750	0	0	-0.34	
-2750	C2	SLES	1	18.3859	-25.0832	20.9358	CC32A	2749	2751	2752	2753	-0.01	
-2751	H2A	SLES	1	17.8699	-25.5379	21.8041	HCA2	2750	0	0	0	0.09	
-2752	H2B	SLES	1	19.3398	-24.6269	21.2841	HCA2	2750	0	0	0	0.09	
-2753	C1	SLES	1	17.4756	-23.9808	20.3088	CC32A	2750	2754	2755	2756	-0.01	
-2754	H1B	SLES	1	16.4069	-24.2315	20.4854	HCA2	2753	0	0	0	0.09	
-2755	H1A	SLES	1	17.696	-23.0069	20.79	HCA2	2753	0	0	0	0.09	
-2756	O1	SLES	1	17.4341	-23.6936	18.874	OC30A	2753	2757	0	0	-0.34	
-2757	C1	SLES	1	17.1163	-22.2963	18.5268	CTL2	2756	2758	2759	2760	-0.18	
-2758	H11	SLES	1	16.787	-21.7964	19.4558	HAL2	2757	0	0	0	0.09	
-2759	H12	SLES	1	18.1182	-21.9082	18.2499	HAL2	2757	0	0	0	0.09	
-2760	C2	SLES	1	16.0858	-21.9936	17.3681	CTL2	2757	2761	2762	2763	-0.18	
-2761	H21	SLES	1	15.6882	-22.9554	16.9734	HAL2	2760	0	0	0	0.09	
-2762	H22	SLES	1	16.6161	-21.4763	16.5388	HAL2	2760	0	0	0	0.09	
-2763	C3	SLES	1	14.8589	-21.0813	17.8588	CTL2	2760	2764	2765	2766	-0.18	
-2764	H31	SLES	1	13.9593	-21.7237	17.9863	HAL2	2763	0	0	0	0.09	
-2765	H32	SLES	1	15.1065	-20.6434	18.8463	HAL2	2763	0	0	0	0.09	
-2766	C4	SLES	1	14.5148	-19.9096	16.8483	CTL2	2763	2767	2768	2769	-0.18	
-2767	H41	SLES	1	13.6182	-20.1945	16.2592	HAL2	2766	0	0	0	0.09	
-2768	H42	SLES	1	15.3615	-19.7774	16.1408	HAL2	2766	0	0	0	0.09	
-2769	C5	SLES	1	14.2355	-18.5235	17.587	CTL2	2766	2770	2771	2772	-0.18	
-2770	H51	SLES	1	14.0171	-18.7212	18.6596	HAL2	2769	0	0	0	0.09	
-2771	H52	SLES	1	15.1528	-17.8936	17.535	HAL2	2769	0	0	0	0.09	
-2772	C6	SLES	1	13.0304	-17.7259	16.9601	CTL2	2769	2773	2774	2775	-0.18	
-2773	H61	SLES	1	12.0787	-18.2388	17.2253	HAL2	2772	0	0	0	0.09	
-2774	H62	SLES	1	13.0038	-16.7029	17.4031	HAL2	2772	0	0	0	0.09	
-2775	C7	SLES	1	13.1276	-17.6045	15.4064	CTL2	2772	2776	2777	2778	-0.18	
-2776	H71	SLES	1	12.7561	-18.5462	14.945	HAL2	2775	0	0	0	0.09	
-2777	H72	SLES	1	14.1948	-17.478	15.1173	HAL2	2775	0	0	0	0.09	
-2778	C8	SLES	1	12.309	-16.4136	14.8485	CTL2	2775	2779	2780	2781	-0.18	
-2779	H81	SLES	1	11.2991	-16.4136	15.3192	HAL2	2778	0	0	0	0.09	
-2780	H82	SLES	1	12.8173	-15.4617	15.1243	HAL2	2778	0	0	0	0.09	
-2781	C9	SLES	1	12.1497	-16.4748	13.3086	CTL2	2778	2782	2783	2784	-0.18	
-2782	H91	SLES	1	11.6683	-17.4401	13.0314	HAL2	2781	0	0	0	0.09	
-2783	H92	SLES	1	13.1583	-16.4466	12.8381	HAL2	2781	0	0	0	0.09	
-2784	C10	SLES	1	11.2997	-15.3089	12.7505	CTL2	2781	2785	2786	2787	-0.18	
-2785	H10	SLES	1	10.2829	-15.3508	13.2036	HAL2	2784	0	0	0	0.09	
-2786	H10	SLES	1	11.7685	-14.343	13.0462	HAL2	2784	0	0	0	0.09	
-2787	C11	SLES	1	11.168	-15.3562	11.2051	CTL2	2784	2788	2789	2790	-0.18	
-2788	H11	SLES	1	10.6924	-16.3209	10.9149	HAL2	2787	0	0	0	0.09	
-2789	H11	SLES	1	12.1877	-15.3322	10.7573	HAL2	2787	0	0	0	0.09	
-2790	C12	SLES	1	10.3346	-14.1902	10.6129	CTL3	2787	2791	2792	2793	-0.27	
-2791	H12	SLES	1	9.45728	-14.5864	10.0555	HAL3	2790	0	0	0	0.09	
-2792	H12	SLES	1	10.9556	-13.5872	9.91423	HAL3	2790	0	0	0	0.09	
-2793	H12	SLES	1	9.9677	-13.5252	11.4248	HAL3	2790	0	0	0	0.09	
-2794	NA	SLES	1	11.3125	-36.5158	22.1518	NA	0	0	0	0	1	
-2795	S	SLES	1	9.69011	-33.9937	24.2392	SL	2796	2797	2798	2799	1.33	
-2796	OS1	SLES	1	10.0654	-33.7835	22.6199	OSL	2795	2800	0	0	-0.28	
-2797	OS2	SLES	1	8.83066	-35.1572	24.3115	O2L	2795	0	0	0	-0.65	
-2798	OS3	SLES	1	10.9436	-34.2652	24.9113	O2L	2795	0	0	0	-0.65	
-2799	OS4	SLES	1	9.03349	-32.8537	24.8586	O2L	2795	0	0	0	-0.65	
-2800	C2	SLES	1	9.45689	-32.5232	22.1084	CC32A	2796	2801	2802	2803	-0.11	
-2801	H2A	SLES	1	8.34598	-32.5164	22.29	HCA2	2800	0	0	0	0.09	
-2802	H2B	SLES	1	9.92067	-31.6554	22.6543	HCA2	2800	0	0	0	0.09	
-2803	C1	SLES	1	9.74841	-32.393	20.5387	CC32A	2800	2804	2805	2806	-0.01	
-2804	H1B	SLES	1	9.36734	-33.2947	20.0063	HCA2	2803	0	0	0	0.09	
-2805	H1A	SLES	1	10.8461	-32.3087	20.3622	HCA2	2803	0	0	0	0.09	
-2806	O1	SLES	1	9.16688	-31.2779	19.7665	OC30A	2803	2807	0	0	-0.34	
-2807	C2	SLES	1	8.6985	-30.1428	20.5247	CC32A	2806	2808	2809	2810	-0.01	
-2808	H2A	SLES	1	7.91609	-30.6031	21.1594	HCA2	2807	0	0	0	0.09	
-2809	H2B	SLES	1	9.57916	-29.8996	21.1608	HCA2	2807	0	0	0	0.09	
-2810	C1	SLES	1	8.14131	-28.8355	19.8785	CC32A	2807	2811	2812	2813	-0.01	
-2811	H1B	SLES	1	7.0403	-28.9204	19.7497	HCA2	2810	0	0	0	0.09	
-2812	H1A	SLES	1	8.35544	-27.9772	20.5464	HCA2	2810	0	0	0	0.09	
-2813	O1	SLES	1	8.51786	-28.3772	18.5402	OC30A	2810	2814	0	0	-0.34	
-2814	C1	SLES	1	8.49252	-26.9151	18.3519	CTL2	2813	2815	2816	2817	-0.18	
-2815	H11	SLES	1	8.00021	-26.4804	19.2406	HAL2	2814	0	0	0	0.09	
-2816	H12	SLES	1	9.57463	-26.6725	18.3903	HAL2	2814	0	0	0	0.09	
-2817	C2	SLES	1	7.85358	-26.3067	17.0412	CTL2	2814	2818	2819	2820	-0.18	
-2818	H21	SLES	1	7.44903	-27.1333	16.4153	HAL2	2817	0	0	0	0.09	
-2819	H22	SLES	1	8.6478	-25.7921	16.4572	HAL2	2817	0	0	0	0.09	
-2820	C3	SLES	1	6.6742	-25.2642	17.3586	CTL2	2817	2821	2822	2823	-0.18	
-2821	H31	SLES	1	5.69524	-25.7552	17.1616	HAL2	2820	0	0	0	0.09	
-2822	H32	SLES	1	6.70934	-24.9949	18.4331	HAL2	2820	0	0	0	0.09	
-2823	C4	SLES	1	6.76823	-23.9396	16.4931	CTL2	2820	2824	2825	2826	-0.18	
-2824	H41	SLES	1	6.02869	-23.9964	15.6673	HAL2	2823	0	0	0	0.09	
-2825	H42	SLES	1	7.78118	-23.87	16.0413	HAL2	2823	0	0	0	0.09	
-2826	C5	SLES	1	6.49231	-22.6238	17.3518	CTL2	2823	2827	2828	2829	-0.18	
-2827	H51	SLES	1	5.97473	-22.9075	18.2947	HAL2	2826	0	0	0	0.09	
-2828	H52	SLES	1	7.46663	-22.157	17.6234	HAL2	2826	0	0	0	0.09	
-2829	C6	SLES	1	5.61268	-21.5647	16.5864	CTL2	2826	2830	2831	2832	-0.18	
-2830	H61	SLES	1	4.56503	-21.9365	16.5292	HAL2	2829	0	0	0	0.09	
-2831	H62	SLES	1	5.60737	-20.6119	17.1657	HAL2	2829	0	0	0	0.09	
-2832	C7	SLES	1	6.13095	-21.278	15.1416	CTL2	2829	2833	2834	2835	-0.18	
-2833	H71	SLES	1	5.77151	-22.0815	14.4611	HAL2	2832	0	0	0	0.09	
-2834	H72	SLES	1	7.24352	-21.3011	15.1427	HAL2	2832	0	0	0	0.09	
-2835	C8	SLES	1	5.655	-19.9079	14.5977	CTL2	2832	2836	2837	2838	-0.18	
-2836	H81	SLES	1	4.56622	-19.7924	14.8042	HAL2	2835	0	0	0	0.09	
-2837	H82	SLES	1	6.19525	-19.0955	15.1351	HAL2	2835	0	0	0	0.09	
-2838	C9	SLES	1	5.9001	-19.758	13.0753	CTL2	2835	2839	2840	2841	-0.18	
-2839	H91	SLES	1	5.38401	-20.5878	12.541	HAL2	2838	0	0	0	0.09	
-2840	H92	SLES	1	6.9914	-19.8457	12.8731	HAL2	2838	0	0	0	0.09	
-2841	C10	SLES	1	5.39086	-18.407	12.5197	CTL2	2838	2842	2843	2844	-0.18	
-2842	H10	SLES	1	4.29457	-18.3292	12.7011	HAL2	2841	0	0	0	0.09	
-2843	H10	SLES	1	5.89008	-17.5766	13.0687	HAL2	2841	0	0	0	0.09	
-2844	C11	SLES	1	5.66564	-18.2475	11.0008	CTL2	2841	2845	2846	2847	-0.18	
-2845	H11	SLES	1	5.15864	-19.0763	10.4556	HAL2	2844	0	0	0	0.09	
-2846	H11	SLES	1	6.761	-18.3439	10.8224	HAL2	2844	0	0	0	0.09	
-2847	C12	SLES	1	5.18133	-16.8952	10.4166	CTL3	2844	2848	2849	2850	-0.27	
-2848	H12	SLES	1	4.43691	-17.0678	9.60831	HAL3	2847	0	0	0	0.09	
-2849	H12	SLES	1	6.03921	-16.3277	9.99316	HAL3	2847	0	0	0	0.09	
-2850	H12	SLES	1	4.70591	-16.2787	11.2104	HAL3	2847	0	0	0	0.09	
-2851	NA	SLES	1	-1.10939	-38.3021	21.9955	NA	0	0	0	0	1	
-2852	S	SLES	1	-2.87348	-35.595	23.7013	SL	2853	2854	2855	2856	1.33	
-2853	OS1	SLES	1	-2.01944	-35.4149	22.2711	OSL	2852	2857	0	0	-0.28	
-2854	OS2	SLES	1	-3.87956	-36.6064	23.4516	O2L	2852	0	0	0	-0.65	
-2855	OS3	SLES	1	-1.9223	-36.078	24.6804	O2L	2852	0	0	0	-0.65	
-2856	OS4	SLES	1	-3.50463	-34.377	24.1838	O2L	2852	0	0	0	-0.65	
-2857	C2	SLES	1	-2.26056	-34.0631	21.6926	CC32A	2853	2858	2859	2860	-0.11	
-2858	H2A	SLES	1	-3.36276	-33.8815	21.5535	HCA2	2857	0	0	0	0.09	
-2859	H2B	SLES	1	-1.85112	-33.2923	22.403	HCA2	2857	0	0	0	0.09	
-2860	C1	SLES	1	-1.512	-33.9495	20.281	CC32A	2857	2861	2862	2863	-0.01	
-2861	H1B	SLES	1	-1.85213	-34.7672	19.6047	HCA2	2860	0	0	0	0.09	
-2862	H1A	SLES	1	-0.410313	-34.0392	20.4273	HCA2	2860	0	0	0	0.09	
-2863	O1	SLES	1	-1.67374	-32.74	19.4511	OC30A	2860	2864	0	0	-0.34	
-2864	C2	SLES	1	-2.16773	-31.5601	20.1192	CC32A	2863	2865	2866	2867	-0.01	
-2865	H2A	SLES	1	-3.15931	-31.9014	20.4757	HCA2	2864	0	0	0	0.09	
-2866	H2B	SLES	1	-1.48255	-31.4745	20.9925	HCA2	2864	0	0	0	0.09	
-2867	C1	SLES	1	-2.31438	-30.1672	19.4294	CC32A	2864	2868	2869	2870	-0.01	
-2868	H1B	SLES	1	-3.33108	-30.0715	18.9899	HCA2	2867	0	0	0	0.09	
-2869	H1A	SLES	1	-2.17771	-29.3683	20.1854	HCA2	2867	0	0	0	0.09	
-2870	O1	SLES	1	-1.50367	-29.7484	18.2848	OC30A	2867	2871	0	0	-0.34	
-2871	C1	SLES	1	-1.25664	-28.2976	18.1934	CTL2	2870	2872	2873	2874	-0.18	
-2872	H11	SLES	1	-1.91471	-27.8077	18.9337	HAL2	2871	0	0	0	0.09	
-2873	H12	SLES	1	-0.208341	-28.233	18.5514	HAL2	2871	0	0	0	0.09	
-2874	C2	SLES	1	-1.39215	-27.5679	16.7986	CTL2	2871	2875	2876	2877	-0.18	
-2875	H21	SLES	1	-1.71635	-28.3059	16.0311	HAL2	2874	0	0	0	0.09	
-2876	H22	SLES	1	-0.396009	-27.176	16.4975	HAL2	2874	0	0	0	0.09	
-2877	C3	SLES	1	-2.44492	-26.3561	16.8381	CTL2	2874	2878	2879	2880	-0.18	
-2878	H31	SLES	1	-3.38667	-26.6793	16.3412	HAL2	2877	0	0	0	0.09	
-2879	H32	SLES	1	-2.68228	-26.1179	17.8941	HAL2	2877	0	0	0	0.09	
-2880	C4	SLES	1	-1.90975	-25.0466	16.1233	CTL2	2877	2881	2882	2883	-0.18	
-2881	H41	SLES	1	-2.37901	-24.9669	15.1205	HAL2	2880	0	0	0	0.09	
-2882	H42	SLES	1	-0.810829	-25.1315	15.9812	HAL2	2880	0	0	0	0.09	
-2883	C5	SLES	1	-2.22395	-23.7212	16.9537	CTL2	2880	2884	2885	2886	-0.18	
-2884	H51	SLES	1	-3.02795	-23.9371	17.6916	HAL2	2883	0	0	0	0.09	
-2885	H52	SLES	1	-1.31175	-23.4228	17.5192	HAL2	2883	0	0	0	0.09	
-2886	C6	SLES	1	-2.67789	-22.5192	16.0425	CTL2	2883	2887	2888	2889	-0.18	
-2887	H61	SLES	1	-3.70731	-22.7165	15.6678	HAL2	2886	0	0	0	0.09	
-2888	H62	SLES	1	-2.70919	-21.5899	16.6581	HAL2	2886	0	0	0	0.09	
-2889	C7	SLES	1	-1.72777	-22.2902	14.8247	CTL2	2886	2890	2891	2892	-0.18	
-2890	H71	SLES	1	-1.99013	-23.0115	14.0193	HAL2	2889	0	0	0	0.09	
-2891	H72	SLES	1	-0.679232	-22.4918	15.1382	HAL2	2889	0	0	0	0.09	
-2892	C8	SLES	1	-1.81786	-20.8506	14.2598	CTL2	2889	2893	2894	2895	-0.18	
-2893	H81	SLES	1	-2.8902	-20.5659	14.1579	HAL2	2892	0	0	0	0.09	
-2894	H82	SLES	1	-1.34184	-20.1468	14.98	HAL2	2892	0	0	0	0.09	
-2895	C9	SLES	1	-1.12394	-20.7112	12.8817	CTL2	2892	2896	2897	2898	-0.18	
-2896	H91	SLES	1	-1.58059	-21.4362	12.1702	HAL2	2895	0	0	0	0.09	
-2897	H92	SLES	1	-0.0463351	-20.969	12.9903	HAL2	2895	0	0	0	0.09	
-2898	C10	SLES	1	-1.24496	-19.2848	12.295	CTL2	2895	2899	2900	2901	-0.18	
-2899	H10	SLES	1	-2.32273	-19.0355	12.1644	HAL2	2898	0	0	0	0.09	
-2900	H10	SLES	1	-0.808438	-18.5569	13.0158	HAL2	2898	0	0	0	0.09	
-2901	C11	SLES	1	-0.522578	-19.1408	10.9292	CTL2	2898	2902	2903	2904	-0.18	
-2902	H11	SLES	1	-0.967315	-19.866	10.2099	HAL2	2901	0	0	0	0.09	
-2903	H11	SLES	1	0.550703	-19.4083	11.0611	HAL2	2901	0	0	0	0.09	
-2904	C12	SLES	1	-0.611565	-17.7166	10.3222	CTL3	2901	2905	2906	2907	-0.27	
-2905	H12	SLES	1	-1.10765	-17.7508	9.32723	HAL3	2904	0	0	0	0.09	
-2906	H12	SLES	1	0.406247	-17.2859	10.1962	HAL3	2904	0	0	0	0.09	
-2907	H12	SLES	1	-1.19926	-17.048	10.9883	HAL3	2904	0	0	0	0.09	
-2908	NA	SLES	1	-13.5297	-35.813	22.0558	NA	0	0	0	0	1	
-2909	S	SLES	1	-15.2262	-32.7451	23.0854	SL	2910	2911	2912	2913	1.33	
-2910	OS1	SLES	1	-13.9894	-32.8099	21.9569	OSL	2909	2914	0	0	-0.28	
-2911	OS2	SLES	1	-16.2756	-33.6124	22.5913	O2L	2909	0	0	0	-0.65	
-2912	OS3	SLES	1	-14.6797	-33.2838	24.3133	O2L	2909	0	0	0	-0.65	
-2913	OS4	SLES	1	-15.7561	-31.412	23.3227	O2L	2909	0	0	0	-0.65	
-2914	C2	SLES	1	-13.8322	-31.4883	21.2869	CC32A	2910	2915	2916	2917	-0.11	
-2915	H2A	SLES	1	-14.8058	-31.1565	20.8296	HCA2	2914	0	0	0	0.09	
-2916	H2B	SLES	1	-13.5155	-30.7323	22.058	HCA2	2914	0	0	0	0.09	
-2917	C1	SLES	1	-12.7113	-31.6014	20.1481	CC32A	2914	2918	2919	2920	-0.01	
-2918	H1B	SLES	1	-12.9797	-32.4112	19.4312	HCA2	2917	0	0	0	0.09	
-2919	H1A	SLES	1	-11.7249	-31.8419	20.6089	HCA2	2917	0	0	0	0.09	
-2920	O1	SLES	1	-12.4324	-30.4521	19.2654	OC30A	2917	2921	0	0	-0.34	
-2921	C2	SLES	1	-12.8908	-29.1619	19.7213	CC32A	2920	2922	2923	2924	-0.01	
-2922	H2A	SLES	1	-13.9848	-29.3221	19.7883	HCA2	2921	0	0	0	0.09	
-2923	H2B	SLES	1	-12.4723	-29.1091	20.7515	HCA2	2921	0	0	0	0.09	
-2924	C1	SLES	1	-12.6064	-27.8229	18.9706	CC32A	2921	2925	2926	2927	-0.01	
-2925	H1B	SLES	1	-13.4296	-27.6128	18.2535	HCA2	2924	0	0	0	0.09	
-2926	H1A	SLES	1	-12.5558	-26.9949	19.7057	HCA2	2924	0	0	0	0.09	
-2927	O1	SLES	1	-11.4508	-27.6229	18.0947	OC30A	2924	2928	0	0	-0.34	
-2928	C1	SLES	1	-10.9514	-26.2372	18.0281	CTL2	2927	2929	2930	2931	-0.18	
-2929	H11	SLES	1	-11.6993	-25.5967	18.5297	HAL2	2928	0	0	0	0.09	
-2930	H12	SLES	1	-10.049	-26.3005	18.6707	HAL2	2928	0	0	0	0.09	
-2931	C2	SLES	1	-10.5695	-25.6102	16.6291	CTL2	2928	2932	2933	2934	-0.18	
-2932	H21	SLES	1	-10.7841	-26.3511	15.8267	HAL2	2931	0	0	0	0.09	
-2933	H22	SLES	1	-9.47833	-25.3963	16.6146	HAL2	2931	0	0	0	0.09	
-2934	C3	SLES	1	-11.3757	-24.256	16.3212	CTL2	2931	2935	2936	2937	-0.18	
-2935	H31	SLES	1	-12.1813	-24.4745	15.5853	HAL2	2934	0	0	0	0.09	
-2936	H32	SLES	1	-11.8555	-23.9009	17.255	HAL2	2934	0	0	0	0.09	
-2937	C4	SLES	1	-10.4531	-23.1026	15.7461	CTL2	2934	2938	2939	2940	-0.18	
-2938	H41	SLES	1	-10.604	-23.035	14.6485	HAL2	2937	0	0	0	0.09	
-2939	H42	SLES	1	-9.3881	-23.3612	15.93	HAL2	2937	0	0	0	0.09	
-2940	C5	SLES	1	-10.7627	-21.6827	16.4042	CTL2	2937	2941	2942	2943	-0.18	
-2941	H51	SLES	1	-11.7648	-21.7165	16.8858	HAL2	2940	0	0	0	0.09	
-2942	H52	SLES	1	-10.0082	-21.4787	17.198	HAL2	2940	0	0	0	0.09	
-2943	C6	SLES	1	-10.7387	-20.5039	15.3596	CTL2	2940	2944	2945	2946	-0.18	
-2944	H61	SLES	1	-11.6405	-20.5754	14.711	HAL2	2943	0	0	0	0.09	
-2945	H62	SLES	1	-10.7863	-19.5337	15.9074	HAL2	2943	0	0	0	0.09	
-2946	C7	SLES	1	-9.46222	-20.5177	14.4604	CTL2	2943	2947	2948	2949	-0.18	
-2947	H71	SLES	1	-9.60502	-21.2544	13.639	HAL2	2946	0	0	0	0.09	
-2948	H72	SLES	1	-8.59129	-20.847	15.0697	HAL2	2946	0	0	0	0.09	
-2949	C8	SLES	1	-9.15145	-19.1309	13.844	CTL2	2946	2950	2951	2952	-0.18	
-2950	H81	SLES	1	-10.0902	-18.699	13.4273	HAL2	2949	0	0	0	0.09	
-2951	H82	SLES	1	-8.78562	-18.45	14.6459	HAL2	2949	0	0	0	0.09	
-2952	C9	SLES	1	-8.08736	-19.2077	12.7205	CTL2	2949	2953	2954	2955	-0.18	
-2953	H91	SLES	1	-8.44077	-19.9117	11.9332	HAL2	2952	0	0	0	0.09	
-2954	H92	SLES	1	-7.14107	-19.6134	13.1442	HAL2	2952	0	0	0	0.09	
-2955	C10	SLES	1	-7.80193	-17.8312	12.0748	CTL2	2952	2956	2957	2958	-0.18	
-2956	H10	SLES	1	-8.74365	-17.4357	11.6303	HAL2	2955	0	0	0	0.09	
-2957	H10	SLES	1	-7.46969	-17.1206	12.8651	HAL2	2955	0	0	0	0.09	
-2958	C11	SLES	1	-6.71362	-17.9067	10.9712	CTL2	2955	2959	2960	2961	-0.18	
-2959	H11	SLES	1	-7.05362	-18.6133	10.1798	HAL2	2958	0	0	0	0.09	
-2960	H11	SLES	1	-5.77954	-18.3194	11.4163	HAL2	2958	0	0	0	0.09	
-2961	C12	SLES	1	-6.3926	-16.5387	10.3153	CTL3	2958	2962	2963	2964	-0.27	
-2962	H12	SLES	1	-6.58981	-16.5788	9.22135	HAL3	2961	0	0	0	0.09	
-2963	H12	SLES	1	-5.32338	-16.2758	10.4733	HAL3	2961	0	0	0	0.09	
-2964	H12	SLES	1	-7.02368	-15.7386	10.76	HAL3	2961	0	0	0	0.09	
-2965	NA	SLES	1	-24.5309	-29.2295	22.27	NA	0	0	0	0	1	
-2966	S	SLES	1	-25.844	-25.8227	22.4117	SL	2967	2968	2969	2970	1.33	
-2967	OS1	SLES	1	-24.4087	-26.2536	21.6624	OSL	2966	2971	0	0	-0.28	
-2968	OS2	SLES	1	-26.8857	-26.6057	21.7797	O2L	2966	0	0	0	-0.65	
-2969	OS3	SLES	1	-25.7074	-26.2139	23.7991	O2L	2966	0	0	0	-0.65	
-2970	OS4	SLES	1	-26.1673	-24.4076	22.3263	O2L	2966	0	0	0	-0.65	
-2971	C2	SLES	1	-23.864	-25.1021	20.8893	CC32A	2967	2972	2973	2974	-0.11	
-2972	H2A	SLES	1	-24.6271	-24.7203	20.1551	HCA2	2971	0	0	0	0.09	
-2973	H2B	SLES	1	-23.6075	-24.2771	21.6103	HCA2	2971	0	0	0	0.09	
-2974	C1	SLES	1	-22.5457	-25.5656	20.1063	CC32A	2971	2975	2976	2977	-0.01	
-2975	H1B	SLES	1	-22.7785	-26.4406	19.4568	HCA2	2974	0	0	0	0.09	
-2976	H1A	SLES	1	-21.755	-25.8596	20.8353	HCA2	2974	0	0	0	0.09	
-2977	O1	SLES	1	-21.8657	-24.6358	19.1839	OC30A	2974	2978	0	0	-0.34	
-2978	C2	SLES	1	-22.1796	-23.235	19.3318	CC32A	2977	2979	2980	2981	-0.01	
-2979	H2A	SLES	1	-23.2691	-23.2259	19.1323	HCA2	2978	0	0	0	0.09	
-2980	H2B	SLES	1	-22.0127	-23.0655	20.4194	HCA2	2978	0	0	0	0.09	
-2981	C1	SLES	1	-21.4914	-22.0983	18.5123	CC32A	2978	2982	2983	2984	-0.01	
-2982	H1B	SLES	1	-22.0713	-21.9008	17.5846	HCA2	2981	0	0	0	0.09	
-2983	H1A	SLES	1	-21.4677	-21.1718	19.1202	HCA2	2981	0	0	0	0.09	
-2984	O1	SLES	1	-20.1455	-22.2162	17.9488	OC30A	2981	2985	0	0	-0.34	
-2985	C1	SLES	1	-19.4045	-20.9467	17.8335	CTL2	2984	2986	2987	2988	-0.18	
-2986	H11	SLES	1	-20.1222	-20.131	18.0349	HAL2	2985	0	0	0	0.09	
-2987	H12	SLES	1	-18.705	-21.025	18.6914	HAL2	2985	0	0	0	0.09	
-2988	C2	SLES	1	-18.5982	-20.6293	16.5124	CTL2	2985	2989	2990	2991	-0.18	
-2989	H21	SLES	1	-18.7472	-21.4594	15.7861	HAL2	2988	0	0	0	0.09	
-2990	H22	SLES	1	-17.5141	-20.5767	16.7545	HAL2	2988	0	0	0	0.09	
-2991	C3	SLES	1	-19.0532	-19.2485	15.8308	CTL2	2988	2992	2993	2994	-0.18	
-2992	H31	SLES	1	-19.6888	-19.4746	14.9458	HAL2	2991	0	0	0	0.09	
-2993	H32	SLES	1	-19.6676	-18.6744	16.5527	HAL2	2991	0	0	0	0.09	
-2994	C4	SLES	1	-17.83	-18.3523	15.3696	CTL2	2991	2995	2996	2997	-0.18	
-2995	H41	SLES	1	-17.7037	-18.4537	14.2715	HAL2	2994	0	0	0	0.09	
-2996	H42	SLES	1	-16.9022	-18.7226	15.8565	HAL2	2994	0	0	0	0.09	
-2997	C5	SLES	1	-18.026	-16.8113	15.7326	CTL2	2994	2998	2999	3000	-0.18	
-2998	H51	SLES	1	-19.1027	-16.6206	15.937	HAL2	2997	0	0	0	0.09	
-2999	H52	SLES	1	-17.4555	-16.5821	16.6615	HAL2	2997	0	0	0	0.09	
-3000	C6	SLES	1	-17.5461	-15.8446	14.5852	CTL2	2997	3001	3002	3003	-0.18	
-3001	H61	SLES	1	-18.2678	-15.899	13.7394	HAL2	3000	0	0	0	0.09	
-3002	H62	SLES	1	-17.5466	-14.7979	14.9698	HAL2	3000	0	0	0	0.09	
-3003	C7	SLES	1	-16.1177	-16.192	14.0588	CTL2	3000	3004	3005	3006	-0.18	
-3004	H71	SLES	1	-16.1929	-17.0313	13.3325	HAL2	3003	0	0	0	0.09	
-3005	H72	SLES	1	-15.4881	-16.531	14.9115	HAL2	3003	0	0	0	0.09	
-3006	C8	SLES	1	-15.4273	-14.9894	13.3684	CTL2	3003	3007	3008	3009	-0.18	
-3007	H81	SLES	1	-16.1486	-14.5078	12.669	HAL2	3006	0	0	0	0.09	
-3008	H82	SLES	1	-15.1445	-14.2391	14.1415	HAL2	3006	0	0	0	0.09	
-3009	C9	SLES	1	-14.1602	-15.4069	12.5806	CTL2	3006	3010	3011	3012	-0.18	
-3010	H91	SLES	1	-14.4387	-16.1788	11.8276	HAL2	3009	0	0	0	0.09	
-3011	H92	SLES	1	-13.4286	-15.8627	13.2852	HAL2	3009	0	0	0	0.09	
-3012	C10	SLES	1	-13.489	-14.2157	11.8568	CTL2	3009	3013	3014	3015	-0.18	
-3013	H10	SLES	1	-14.2131	-13.774	11.1348	HAL2	3012	0	0	0	0.09	
-3014	H10	SLES	1	-13.2302	-13.4338	12.6063	HAL2	3012	0	0	0	0.09	
-3015	C11	SLES	1	-12.2032	-14.6319	11.0941	CTL2	3012	3016	3017	3018	-0.18	
-3016	H11	SLES	1	-12.4685	-15.4089	10.3411	HAL2	3015	0	0	0	0.09	
-3017	H11	SLES	1	-11.4896	-15.0892	11.817	HAL2	3015	0	0	0	0.09	
-3018	C12	SLES	1	-11.4972	-13.4558	10.3711	CTL3	3015	3019	3020	3021	-0.27	
-3019	H12	SLES	1	-11.4353	-13.655	9.27844	HAL3	3018	0	0	0	0.09	
-3020	H12	SLES	1	-10.4658	-13.3226	10.7659	HAL3	3018	0	0	0	0.09	
-3021	H12	SLES	1	-12.0612	-12.5105	10.5274	HAL3	3018	0	0	0	0.09	
-3022	NA	SLES	1	-32.7859	-19.1919	22.5575	NA	0	0	0	0	1	
-3023	S	SLES	1	-33.4552	-15.7019	21.7074	SL	3024	3025	3026	3027	1.33	
-3024	OS1	SLES	1	-32.0209	-16.5	21.3707	OSL	3023	3028	0	0	-0.28	
-3025	OS2	SLES	1	-34.5058	-16.4593	21.0593	O2L	3023	0	0	0	-0.65	
-3026	OS3	SLES	1	-33.621	-15.7606	23.1446	O2L	3023	0	0	0	-0.65	
-3027	OS4	SLES	1	-33.4943	-14.3186	21.2609	O2L	3023	0	0	0	-0.65	
-3028	C2	SLES	1	-31.1552	-15.659	20.4969	CC32A	3024	3029	3030	3031	-0.11	
-3029	H2A	SLES	1	-31.7049	-15.3626	19.5603	HCA2	3028	0	0	0	0.09	
-3030	H2B	SLES	1	-30.8724	-14.7288	21.0633	HCA2	3028	0	0	0	0.09	
-3031	C1	SLES	1	-29.8349	-16.48	20.1113	CC32A	3028	3032	3033	3034	-0.01	
-3032	H1B	SLES	1	-30.1155	-17.4444	19.6286	HCA2	3031	0	0	0	0.09	
-3033	H1A	SLES	1	-29.2413	-16.6974	21.0298	HCA2	3031	0	0	0	0.09	
-3034	O1	SLES	1	-28.8542	-15.9072	19.1689	OC30A	3031	3035	0	0	-0.34	
-3035	C2	SLES	1	-28.925	-14.4824	18.9505	CC32A	3034	3036	3037	3038	-0.01	
-3036	H2A	SLES	1	-29.9469	-14.368	18.5387	HCA2	3035	0	0	0	0.09	
-3037	H2B	SLES	1	-28.9094	-14.0798	19.9883	HCA2	3035	0	0	0	0.09	
-3038	C1	SLES	1	-27.9152	-13.6873	18.0644	CC32A	3035	3039	3040	3041	-0.01	
-3039	H1B	SLES	1	-28.2898	-13.6405	17.0186	HCA2	3038	0	0	0	0.09	
-3040	H1A	SLES	1	-27.8209	-12.654	18.4543	HCA2	3038	0	0	0	0.09	
-3041	O1	SLES	1	-26.5404	-14.1272	17.821	OC30A	3038	3042	0	0	-0.34	
-3042	C1	SLES	1	-25.5699	-13.0414	17.5909	CTL2	3041	3043	3044	3045	-0.18	
-3043	H11	SLES	1	-26.1484	-12.1081	17.4664	HAL2	3042	0	0	0	0.09	
-3044	H12	SLES	1	-25.0462	-13.0075	18.5686	HAL2	3042	0	0	0	0.09	
-3045	C2	SLES	1	-24.5145	-13.1708	16.4223	CTL2	3042	3046	3047	3048	-0.18	
-3046	H21	SLES	1	-24.6932	-14.1225	15.8735	HAL2	3045	0	0	0	0.09	
-3047	H22	SLES	1	-23.4934	-13.2149	16.8607	HAL2	3045	0	0	0	0.09	
-3048	C3	SLES	1	-24.5904	-11.9462	15.3864	CTL2	3045	3049	3050	3051	-0.18	
-3049	H31	SLES	1	-25.1038	-12.2879	14.4601	HAL2	3048	0	0	0	0.09	
-3050	H32	SLES	1	-25.1981	-11.1334	15.8317	HAL2	3048	0	0	0	0.09	
-3051	C4	SLES	1	-23.1646	-11.3707	15.0014	CTL2	3048	3052	3053	3054	-0.18	
-3052	H41	SLES	1	-22.8818	-11.752	13.9981	HAL2	3051	0	0	0	0.09	
-3053	H42	SLES	1	-22.4128	-11.7393	15.7322	HAL2	3051	0	0	0	0.09	
-3054	C5	SLES	1	-23.1305	-9.77595	14.9828	CTL2	3051	3055	3056	3057	-0.18	
-3055	H51	SLES	1	-24.1724	-9.39112	14.9214	HAL2	3054	0	0	0	0.09	
-3056	H52	SLES	1	-22.6868	-9.4115	15.9374	HAL2	3054	0	0	0	0.09	
-3057	C6	SLES	1	-22.3004	-9.19392	13.7771	CTL2	3054	3058	3059	3060	-0.18	
-3058	H61	SLES	1	-22.872	-9.34901	12.8347	HAL2	3057	0	0	0	0.09	
-3059	H62	SLES	1	-22.1711	-8.09601	13.9231	HAL2	3057	0	0	0	0.09	
-3060	C7	SLES	1	-20.8938	-9.85682	13.6346	CTL2	3057	3061	3062	3063	-0.18	
-3061	H71	SLES	1	-21.0026	-10.8278	13.1025	HAL2	3060	0	0	0	0.09	
-3062	H72	SLES	1	-20.4849	-10.0646	14.6485	HAL2	3060	0	0	0	0.09	
-3063	C8	SLES	1	-19.8908	-8.96741	12.8583	CTL2	3060	3064	3065	3066	-0.18	
-3064	H81	SLES	1	-20.3874	-8.57264	11.9423	HAL2	3063	0	0	0	0.09	
-3065	H82	SLES	1	-19.6048	-8.09993	13.4957	HAL2	3063	0	0	0	0.09	
-3066	C9	SLES	1	-18.611	-9.73812	12.4481	CTL2	3063	3067	3068	3069	-0.18	
-3067	H91	SLES	1	-18.9001	-10.6221	11.8355	HAL2	3066	0	0	0	0.09	
-3068	H92	SLES	1	-18.1006	-10.1083	13.3656	HAL2	3066	0	0	0	0.09	
-3069	C10	SLES	1	-17.6232	-8.86503	11.6385	CTL2	3066	3070	3071	3072	-0.18	
-3070	H10	SLES	1	-18.1262	-8.51366	10.7088	HAL2	3069	0	0	0	0.09	
-3071	H10	SLES	1	-17.3508	-7.96951	12.2417	HAL2	3069	0	0	0	0.09	
-3072	C11	SLES	1	-16.3291	-9.63106	11.2558	CTL2	3069	3073	3074	3075	-0.18	
-3073	H11	SLES	1	-16.6063	-10.5219	10.6469	HAL2	3072	0	0	0	0.09	
-3074	H11	SLES	1	-15.8394	-9.99577	12.1875	HAL2	3072	0	0	0	0.09	
-3075	C12	SLES	1	-15.3105	-8.77722	10.4571	CTL3	3072	3076	3077	3078	-0.27	
-3076	H12	SLES	1	-15.109	-9.24198	9.46679	HAL3	3075	0	0	0	0.09	
-3077	H12	SLES	1	-14.3506	-8.69948	11.014	HAL3	3075	0	0	0	0.09	
-3078	H12	SLES	1	-15.7089	-7.7523	10.293	HAL3	3075	0	0	0	0.09	
-3079	NA	SLES	1	-37.2143	-6.78189	22.8295	NA	0	0	0	0	1	
-3080	S	SLES	1	-37.1862	-3.61767	21.0026	SL	3081	3082	3083	3084	1.33	
-3081	OS1	SLES	1	-35.8975	-4.68672	21.0642	OSL	3080	3085	0	0	-0.28	
-3082	OS2	SLES	1	-38.3064	-4.35917	20.4615	O2L	3080	0	0	0	-0.65	
-3083	OS3	SLES	1	-37.4619	-3.23982	22.373	O2L	3080	0	0	0	-0.65	
-3084	OS4	SLES	1	-36.9453	-2.42893	20.2006	O2L	3080	0	0	0	-0.65	
-3085	C2	SLES	1	-34.8352	-4.27029	20.1059	CC32A	3081	3086	3087	3088	-0.11	
-3086	H2A	SLES	1	-35.2548	-4.17209	19.0659	HCA2	3085	0	0	0	0.09	
-3087	H2B	SLES	1	-34.4317	-3.27166	20.4317	HCA2	3085	0	0	0	0.09	
-3088	C1	SLES	1	-33.6589	-5.35758	20.1134	CC32A	3085	3089	3090	3091	-0.01	
-3089	H1B	SLES	1	-34.0724	-6.365	19.8769	HCA2	3088	0	0	0	0.09	
-3090	H1A	SLES	1	-33.1809	-5.39266	21.12	HCA2	3088	0	0	0	0.09	
-3091	O1	SLES	1	-32.527	-5.2319	19.1749	OC30A	3088	3092	0	0	-0.34	
-3092	C2	SLES	1	-32.326	-3.93435	18.576	CC32A	3091	3093	3094	3095	-0.01	
-3093	H2A	SLES	1	-33.2789	-3.78777	18.0307	HCA2	3092	0	0	0	0.09	
-3094	H2B	SLES	1	-32.3127	-3.26079	19.4623	HCA2	3092	0	0	0	0.09	
-3095	C1	SLES	1	-31.1296	-3.58664	17.6353	CC32A	3092	3096	3097	3098	-0.01	
-3096	H1B	SLES	1	-31.4142	-3.78246	16.5785	HCA2	3095	0	0	0	0.09	
-3097	H1A	SLES	1	-30.8801	-2.512	17.7425	HCA2	3095	0	0	0	0.09	
-3098	O1	SLES	1	-29.8419	-4.28111	17.6831	OC30A	3095	3099	0	0	-0.34	
-3099	C1	SLES	1	-28.6789	-3.46593	17.2871	CTL2	3098	3100	3101	3102	-0.18	
-3100	H11	SLES	1	-29.0708	-2.52988	16.8496	HAL2	3099	0	0	0	0.09	
-3101	H12	SLES	1	-28.2287	-3.23578	18.2748	HAL2	3099	0	0	0	0.09	
-3102	C2	SLES	1	-27.583	-4.0807	16.3293	CTL2	3099	3103	3104	3105	-0.18	
-3103	H21	SLES	1	-27.8895	-5.11037	16.0383	HAL2	3102	0	0	0	0.09	
-3104	H22	SLES	1	-26.6203	-4.15305	16.8811	HAL2	3102	0	0	0	0.09	
-3105	C3	SLES	1	-27.3646	-3.20405	15.0018	CTL2	3102	3106	3107	3108	-0.18	
-3106	H31	SLES	1	-27.8634	-3.71259	14.1469	HAL2	3105	0	0	0	0.09	
-3107	H32	SLES	1	-27.8473	-2.21578	15.1379	HAL2	3105	0	0	0	0.09	
-3108	C4	SLES	1	-25.8351	-2.98511	14.6483	CTL2	3105	3109	3110	3111	-0.18	
-3109	H41	SLES	1	-25.5542	-3.67404	13.8245	HAL2	3108	0	0	0	0.09	
-3110	H42	SLES	1	-25.2155	-3.24079	15.5347	HAL2	3108	0	0	0	0.09	
-3111	C5	SLES	1	-25.515	-1.48583	14.2073	CTL2	3108	3112	3113	3114	-0.18	
-3112	H51	SLES	1	-26.4642	-0.980663	13.9222	HAL2	3111	0	0	0	0.09	
-3113	H52	SLES	1	-25.0826	-0.93709	15.075	HAL2	3111	0	0	0	0.09	
-3114	C6	SLES	1	-24.5104	-1.40333	12.9968	CTL2	3111	3115	3116	3117	-0.18	
-3115	H61	SLES	1	-25.0318	-1.73099	12.0696	HAL2	3114	0	0	0	0.09	
-3116	H62	SLES	1	-24.1975	-0.342112	12.8577	HAL2	3114	0	0	0	0.09	
-3117	C7	SLES	1	-23.2385	-2.28508	13.2045	CTL2	3114	3118	3119	3120	-0.18	
-3118	H71	SLES	1	-23.481	-3.33891	12.943	HAL2	3117	0	0	0	0.09	
-3119	H72	SLES	1	-22.9468	-2.25592	14.278	HAL2	3117	0	0	0	0.09	
-3120	C8	SLES	1	-22.0398	-1.81591	12.3428	CTL2	3117	3121	3122	3123	-0.18	
-3121	H81	SLES	1	-22.3911	-1.62689	11.3025	HAL2	3120	0	0	0	0.09	
-3122	H82	SLES	1	-21.6495	-0.857081	12.7537	HAL2	3120	0	0	0	0.09	
-3123	C9	SLES	1	-20.8925	-2.85649	12.3084	CTL2	3120	3124	3125	3126	-0.18	
-3124	H91	SLES	1	-21.2907	-3.82343	11.9252	HAL2	3123	0	0	0	0.09	
-3125	H92	SLES	1	-20.5233	-3.02391	13.3453	HAL2	3123	0	0	0	0.09	
-3126	C10	SLES	1	-19.7093	-2.40991	11.4174	CTL2	3123	3127	3128	3129	-0.18	
-3127	H10	SLES	1	-20.0737	-2.26489	10.3748	HAL2	3126	0	0	0	0.09	
-3128	H10	SLES	1	-19.3249	-1.43218	11.7865	HAL2	3126	0	0	0	0.09	
-3129	C11	SLES	1	-18.5491	-3.44041	11.4098	CTL2	3126	3130	3131	3132	-0.18	
-3130	H11	SLES	1	-18.9371	-4.41456	11.0334	HAL2	3129	0	0	0	0.09	
-3131	H11	SLES	1	-18.2003	-3.59548	12.4563	HAL2	3129	0	0	0	0.09	
-3132	C12	SLES	1	-17.3399	-3.01365	10.5379	CTL3	3129	3133	3134	3135	-0.27	
-3133	H12	SLES	1	-17.1547	-3.7655	9.73933	HAL3	3132	0	0	0	0.09	
-3134	H12	SLES	1	-16.4238	-2.92772	11.1631	HAL3	3132	0	0	0	0.09	
-3135	H12	SLES	1	-17.5358	-2.02942	10.0594	HAL3	3132	0	0	0	0.09	
-3136	NA	SLES	1	-37.1488	6.56273	22.9995	NA	0	0	0	0	1	
-3137	S	SLES	1	-36.6436	9.00303	20.3274	SL	3138	3139	3140	3141	1.33	
-3138	OS1	SLES	1	-35.5511	7.79723	20.7272	OSL	3137	3142	0	0	-0.28	
-3139	OS2	SLES	1	-37.8874	8.33587	20.0028	O2L	3137	0	0	0	-0.65	
-3140	OS3	SLES	1	-36.8123	9.80556	21.5207	O2L	3137	0	0	0	-0.65	
-3141	OS4	SLES	1	-36.2302	9.84713	19.2179	O2L	3137	0	0	0	-0.65	
-3142	C2	SLES	1	-34.4622	7.73009	19.7123	CC32A	3138	3143	3144	3145	-0.11	
-3143	H2A	SLES	1	-34.8893	7.5895	18.6803	HCA2	3142	0	0	0	0.09	
-3144	H2B	SLES	1	-33.8878	8.69731	19.7402	HCA2	3142	0	0	0	0.09	
-3145	C1	SLES	1	-33.4851	6.51031	20.0634	CC32A	3142	3146	3147	3148	-0.01	
-3146	H1B	SLES	1	-34.0682	5.56261	20.1233	HCA2	3145	0	0	0	0.09	
-3147	H1A	SLES	1	-32.9908	6.69073	21.0464	HCA2	3145	0	0	0	0.09	
-3148	O1	SLES	1	-32.3757	6.1635	19.1541	OC30A	3145	3149	0	0	-0.34	
-3149	C2	SLES	1	-31.9775	7.17615	18.2061	CC32A	3148	3150	3151	3152	-0.01	
-3150	H2A	SLES	1	-32.9077	7.31555	17.6212	HCA2	3149	0	0	0	0.09	
-3151	H2B	SLES	1	-31.8258	8.0669	18.8565	HCA2	3149	0	0	0	0.09	
-3152	C1	SLES	1	-30.7675	7.02681	17.231	CC32A	3149	3153	3154	3155	-0.01	
-3153	H1B	SLES	1	-31.1113	6.58175	16.272	HCA2	3152	0	0	0	0.09	
-3154	H1A	SLES	1	-30.3384	8.0277	17.0244	HCA2	3152	0	0	0	0.09	
-3155	O1	SLES	1	-29.6135	6.16981	17.5081	OC30A	3152	3156	0	0	-0.34	
-3156	C1	SLES	1	-28.3422	6.62532	16.9162	CTL2	3155	3157	3158	3159	-0.18	
-3157	H11	SLES	1	-28.5842	7.44478	16.2154	HAL2	3156	0	0	0	0.09	
-3158	H12	SLES	1	-27.8315	7.0546	17.8028	HAL2	3156	0	0	0	0.09	
-3159	C2	SLES	1	-27.3931	5.58192	16.2044	CTL2	3156	3160	3161	3162	-0.18	
-3160	H21	SLES	1	-27.876	4.57928	16.221	HAL2	3159	0	0	0	0.09	
-3161	H22	SLES	1	-26.4405	5.51261	16.774	HAL2	3159	0	0	0	0.09	
-3162	C3	SLES	1	-27.0693	5.98251	14.6835	CTL2	3159	3163	3164	3165	-0.18	
-3163	H31	SLES	1	-27.6708	5.33817	14.0043	HAL2	3162	0	0	0	0.09	
-3164	H32	SLES	1	-27.3754	7.03406	14.5138	HAL2	3162	0	0	0	0.09	
-3165	C4	SLES	1	-25.5356	5.82733	14.3147	CTL2	3162	3166	3167	3168	-0.18	
-3166	H41	SLES	1	-25.3981	4.89074	13.7351	HAL2	3165	0	0	0	0.09	
-3167	H42	SLES	1	-24.9422	5.74107	15.2504	HAL2	3165	0	0	0	0.09	
-3168	C5	SLES	1	-24.9816	7.05591	13.4612	CTL2	3165	3169	3170	3171	-0.18	
-3169	H51	SLES	1	-25.8406	7.6083	13.0202	HAL2	3168	0	0	0	0.09	
-3170	H52	SLES	1	-24.4384	7.75301	14.1394	HAL2	3168	0	0	0	0.09	
-3171	C6	SLES	1	-24.0128	6.61046	12.3018	CTL2	3168	3172	3173	3174	-0.18	
-3172	H61	SLES	1	-24.6083	6.11908	11.5	HAL2	3171	0	0	0	0.09	
-3173	H62	SLES	1	-23.5306	7.51604	11.8649	HAL2	3171	0	0	0	0.09	
-3174	C7	SLES	1	-22.9012	5.62653	12.7862	CTL2	3171	3175	3176	3177	-0.18	
-3175	H71	SLES	1	-23.3244	4.59899	12.8394	HAL2	3174	0	0	0	0.09	
-3176	H72	SLES	1	-22.5778	5.91839	13.8102	HAL2	3174	0	0	0	0.09	
-3177	C8	SLES	1	-21.6663	5.61425	11.8511	CTL2	3174	3178	3179	3180	-0.18	
-3178	H81	SLES	1	-22.0108	5.54752	10.7936	HAL2	3177	0	0	0	0.09	
-3179	H82	SLES	1	-21.109	6.57107	11.9717	HAL2	3177	0	0	0	0.09	
-3180	C9	SLES	1	-20.7111	4.43108	12.1478	CTL2	3177	3181	3182	3183	-0.18	
-3181	H91	SLES	1	-21.2766	3.47604	12.0559	HAL2	3180	0	0	0	0.09	
-3182	H92	SLES	1	-20.3454	4.51412	13.1961	HAL2	3180	0	0	0	0.09	
-3183	C10	SLES	1	-19.496	4.39157	11.191	CTL2	3180	3184	3185	3186	-0.18	
-3184	H10	SLES	1	-19.8609	4.28498	10.144	HAL2	3183	0	0	0	0.09	
-3185	H10	SLES	1	-18.9426	5.35498	11.2661	HAL2	3183	0	0	0	0.09	
-3186	C11	SLES	1	-18.5257	3.22356	11.5107	CTL2	3183	3187	3188	3189	-0.18	
-3187	H11	SLES	1	-19.0821	2.26199	11.4277	HAL2	3186	0	0	0	0.09	
-3188	H11	SLES	1	-18.1777	3.32446	12.5641	HAL2	3186	0	0	0	0.09	
-3189	C12	SLES	1	-17.2877	3.16661	10.5787	CTL3	3186	3190	3191	3192	-0.27	
-3190	H12	SLES	1	-17.2543	2.19429	10.0394	HAL3	3189	0	0	0	0.09	
-3191	H12	SLES	1	-16.3526	3.27563	11.1711	HAL3	3189	0	0	0	0.09	
-3192	H12	SLES	1	-17.3297	3.98639	9.82879	HAL3	3189	0	0	0	0.09	
-3193	NA	SLES	1	-32.4705	19.2107	22.9935	NA	0	0	0	0	1	
-3194	S	SLES	1	-31.9299	20.7148	19.7077	SL	3195	3196	3197	3198	1.33	
-3195	OS1	SLES	1	-30.998	19.478	20.3476	OSL	3194	3199	0	0	-0.28	
-3196	OS2	SLES	1	-33.2936	20.2278	19.6832	O2L	3194	0	0	0	-0.65	
-3197	OS3	SLES	1	-31.8194	21.8227	20.6334	O2L	3194	0	0	0	-0.65	
-3198	OS4	SLES	1	-31.5324	21.1415	18.3757	O2L	3194	0	0	0	-0.65	
-3199	C2	SLES	1	-30.0695	18.9427	19.3124	CC32A	3195	3200	3201	3202	-0.11	
-3200	H2A	SLES	1	-30.6398	18.6143	18.3991	HCA2	3199	0	0	0	0.09	
-3201	H2B	SLES	1	-29.3519	19.7587	19.02	HCA2	3199	0	0	0	0.09	
-3202	C1	SLES	1	-29.259	17.7011	19.9187	CC32A	3199	3203	3204	3205	-0.01	
-3203	H1B	SLES	1	-29.9711	16.9286	20.2901	HCA2	3202	0	0	0	0.09	
-3204	H1A	SLES	1	-28.6229	18.0417	20.7686	HCA2	3202	0	0	0	0.09	
-3205	O1	SLES	1	-28.341	16.9256	19.0622	OC30A	3202	3206	0	0	-0.34	
-3206	C2	SLES	1	-27.9117	17.5576	17.8379	CC32A	3205	3207	3208	3209	-0.01	
-3207	H2A	SLES	1	-28.8747	17.7062	17.3113	HCA2	3206	0	0	0	0.09	
-3208	H2B	SLES	1	-27.5419	18.5451	18.1948	HCA2	3206	0	0	0	0.09	
-3209	C1	SLES	1	-26.8724	16.9327	16.8547	CC32A	3206	3210	3211	3212	-0.01	
-3210	H1B	SLES	1	-27.3995	16.3202	16.0911	HCA2	3209	0	0	0	0.09	
-3211	H1A	SLES	1	-26.3214	17.745	16.3398	HCA2	3209	0	0	0	0.09	
-3212	O1	SLES	1	-25.8412	15.9818	17.2735	OC30A	3209	3213	0	0	-0.34	
-3213	C1	SLES	1	-24.599	16.0197	16.48	CTL2	3212	3214	3215	3216	-0.18	
-3214	H11	SLES	1	-24.796	16.6533	15.5963	HAL2	3213	0	0	0	0.09	
-3215	H12	SLES	1	-23.9199	16.567	17.166	HAL2	3213	0	0	0	0.09	
-3216	C2	SLES	1	-23.9221	14.6674	16.0226	CTL2	3213	3217	3218	3219	-0.18	
-3217	H21	SLES	1	-24.55	13.8128	16.3605	HAL2	3216	0	0	0	0.09	
-3218	H22	SLES	1	-22.9281	14.5769	16.5129	HAL2	3216	0	0	0	0.09	
-3219	C3	SLES	1	-23.7336	14.5818	14.4302	CTL2	3216	3220	3221	3222	-0.18	
-3220	H31	SLES	1	-24.5091	13.903	14.0106	HAL2	3219	0	0	0	0.09	
-3221	H32	SLES	1	-23.8902	15.5881	13.9932	HAL2	3219	0	0	0	0.09	
-3222	C4	SLES	1	-22.3019	14.0527	14.0031	CTL2	3219	3223	3224	3225	-0.18	
-3223	H41	SLES	1	-22.3867	12.987	13.7044	HAL2	3222	0	0	0	0.09	
-3224	H42	SLES	1	-21.6163	14.11	14.8759	HAL2	3222	0	0	0	0.09	
-3225	C5	SLES	1	-21.6743	14.8852	12.7957	CTL2	3222	3226	3227	3228	-0.18	
-3226	H51	SLES	1	-22.4848	15.4495	12.2838	HAL2	3225	0	0	0	0.09	
-3227	H52	SLES	1	-20.9477	15.6244	13.2038	HAL2	3225	0	0	0	0.09	
-3228	C6	SLES	1	-20.9408	13.9758	11.7391	CTL2	3225	3229	3230	3231	-0.18	
-3229	H61	SLES	1	-21.702	13.408	11.1584	HAL2	3228	0	0	0	0.09	
-3230	H62	SLES	1	-20.3817	14.6269	11.0271	HAL2	3228	0	0	0	0.09	
-3231	C7	SLES	1	-19.9449	12.9679	12.3953	CTL2	3228	3232	3233	3234	-0.18	
-3232	H71	SLES	1	-20.5136	12.0884	12.7707	HAL2	3231	0	0	0	0.09	
-3233	H72	SLES	1	-19.4536	13.4565	13.266	HAL2	3231	0	0	0	0.09	
-3234	C8	SLES	1	-18.8548	12.4787	11.4095	CTL2	3231	3235	3236	3237	-0.18	
-3235	H81	SLES	1	-19.3358	12.1981	10.4445	HAL2	3234	0	0	0	0.09	
-3236	H82	SLES	1	-18.1439	13.3126	11.21	HAL2	3234	0	0	0	0.09	
-3237	C9	SLES	1	-18.0669	11.2613	11.9551	CTL2	3234	3238	3239	3240	-0.18	
-3238	H91	SLES	1	-18.7819	10.4382	12.1822	HAL2	3237	0	0	0	0.09	
-3239	H92	SLES	1	-17.5637	11.551	12.905	HAL2	3237	0	0	0	0.09	
-3240	C10	SLES	1	-17.0031	10.7443	10.9578	CTL2	3237	3241	3242	3243	-0.18	
-3241	H10	SLES	1	-17.5091	10.4325	10.0157	HAL2	3240	0	0	0	0.09	
-3242	H10	SLES	1	-16.3008	11.573	10.7131	HAL2	3240	0	0	0	0.09	
-3243	C11	SLES	1	-16.1952	9.54458	11.5199	CTL2	3240	3244	3245	3246	-0.18	
-3244	H11	SLES	1	-16.9012	8.71596	11.7566	HAL2	3243	0	0	0	0.09	
-3245	H11	SLES	1	-15.7059	9.85576	12.471	HAL2	3243	0	0	0	0.09	
-3246	C12	SLES	1	-15.1086	9.01335	10.5494	CTL3	3243	3247	3248	3249	-0.27	
-3247	H12	SLES	1	-15.2959	7.9439	10.3075	HAL3	3246	0	0	0	0.09	
-3248	H12	SLES	1	-14.1009	9.10079	11.0123	HAL3	3246	0	0	0	0.09	
-3249	H12	SLES	1	-15.1158	9.59714	9.60324	HAL3	3246	0	0	0	0.09	
-3250	NA	SLES	1	-23.6699	29.5616	22.7582	NA	0	0	0	0	1	
-3251	S	SLES	1	-23.6034	30.2104	19.163	SL	3252	3253	3254	3255	1.33	
-3252	OS1	SLES	1	-22.7575	28.9768	19.9182	OSL	3251	3256	0	0	-0.28	
-3253	OS2	SLES	1	-25.0001	30.0053	19.4866	O2L	3251	0	0	0	-0.65	
-3254	OS3	SLES	1	-23.1357	31.4438	19.7602	O2L	3251	0	0	0	-0.65	
-3255	OS4	SLES	1	-23.4319	30.2632	17.72	O2L	3251	0	0	0	-0.65	
-3256	C2	SLES	1	-22.1572	28.0661	18.9031	CC32A	3252	3257	3258	3259	-0.11	
-3257	H2A	SLES	1	-22.9482	27.6721	18.2058	HCA2	3256	0	0	0	0.09	
-3258	H2B	SLES	1	-21.4008	28.6465	18.3053	HCA2	3256	0	0	0	0.09	
-3259	C1	SLES	1	-21.4363	26.8446	19.6476	CC32A	3256	3260	3261	3262	-0.01	
-3260	H1B	SLES	1	-22.1642	26.3213	20.3094	HCA2	3259	0	0	0	0.09	
-3261	H1A	SLES	1	-20.5929	27.2241	20.2703	HCA2	3259	0	0	0	0.09	
-3262	O1	SLES	1	-20.8453	25.743	18.8633	OC30A	3259	3263	0	0	-0.34	
-3263	C2	SLES	1	-20.5895	26.0088	17.4681	CC32A	3262	3264	3265	3266	-0.01	
-3264	H2A	SLES	1	-21.6071	26.2295	17.0905	HCA2	3263	0	0	0	0.09	
-3265	H2B	SLES	1	-20.008	26.9573	17.5075	HCA2	3263	0	0	0	0.09	
-3266	C1	SLES	1	-19.8849	25.0013	16.5059	CC32A	3263	3267	3268	3269	-0.01	
-3267	H1B	SLES	1	-20.6462	24.358	16.0133	HCA2	3266	0	0	0	0.09	
-3268	H1A	SLES	1	-19.3365	25.5643	15.7244	HCA2	3266	0	0	0	0.09	
-3269	O1	SLES	1	-18.9457	23.9761	16.9637	OC30A	3266	3270	0	0	-0.34	
-3270	C1	SLES	1	-17.905	23.6037	15.9879	CTL2	3269	3271	3272	3273	-0.18	
-3271	H11	SLES	1	-18.1831	24.0646	15.0229	HAL2	3270	0	0	0	0.09	
-3272	H12	SLES	1	-17.0229	24.1386	16.3966	HAL2	3270	0	0	0	0.09	
-3273	C2	SLES	1	-17.5514	22.08	15.7653	CTL2	3270	3274	3275	3276	-0.18	
-3274	H21	SLES	1	-18.2175	21.4546	16.4009	HAL2	3273	0	0	0	0.09	
-3275	H22	SLES	1	-16.5026	21.9013	16.089	HAL2	3273	0	0	0	0.09	
-3276	C3	SLES	1	-17.7139	21.6283	14.2329	CTL2	3273	3277	3278	3279	-0.18	
-3277	H31	SLES	1	-18.6536	21.0419	14.1268	HAL2	3276	0	0	0	0.09	
-3278	H32	SLES	1	-17.8034	22.5319	13.5975	HAL2	3276	0	0	0	0.09	
-3279	C4	SLES	1	-16.4997	20.7521	13.713	CTL2	3276	3280	3281	3282	-0.18	
-3280	H41	SLES	1	-16.8056	19.6852	13.7003	HAL2	3279	0	0	0	0.09	
-3281	H42	SLES	1	-15.6469	20.8554	14.4179	HAL2	3279	0	0	0	0.09	
-3282	C5	SLES	1	-16.0184	21.1748	12.252	CTL2	3279	3283	3284	3285	-0.18	
-3283	H51	SLES	1	-16.8224	21.7671	11.762	HAL2	3282	0	0	0	0.09	
-3284	H52	SLES	1	-15.1191	21.8263	12.3407	HAL2	3282	0	0	0	0.09	
-3285	C6	SLES	1	-15.6677	19.9392	11.3399	CTL2	3282	3286	3287	3288	-0.18	
-3286	H61	SLES	1	-16.6104	19.4227	11.0506	HAL2	3285	0	0	0	0.09	
-3287	H62	SLES	1	-15.177	20.305	10.4078	HAL2	3285	0	0	0	0.09	
-3288	C7	SLES	1	-14.7218	18.9159	12.0444	CTL2	3285	3289	3290	3291	-0.18	
-3289	H71	SLES	1	-15.3266	18.2628	12.7119	HAL2	3288	0	0	0	0.09	
-3290	H72	SLES	1	-13.9916	19.4699	12.6754	HAL2	3288	0	0	0	0.09	
-3291	C8	SLES	1	-13.948	18.0279	11.0382	CTL2	3288	3292	3293	3294	-0.18	
-3292	H81	SLES	1	-14.6564	17.6515	10.2649	HAL2	3291	0	0	0	0.09	
-3293	H82	SLES	1	-13.1761	18.6463	10.526	HAL2	3291	0	0	0	0.09	
-3294	C9	SLES	1	-13.2579	16.8215	11.7227	CTL2	3291	3295	3296	3297	-0.18	
-3295	H91	SLES	1	-14.0264	16.2201	12.2594	HAL2	3294	0	0	0	0.09	
-3296	H92	SLES	1	-12.5299	17.1991	12.4756	HAL2	3294	0	0	0	0.09	
-3297	C10	SLES	1	-12.5163	15.9096	10.7167	CTL2	3294	3298	3299	3300	-0.18	
-3298	H10	SLES	1	-13.2486	15.513	9.97704	HAL2	3297	0	0	0	0.09	
-3299	H10	SLES	1	-11.7628	16.5152	10.164	HAL2	3297	0	0	0	0.09	
-3300	C11	SLES	1	-11.8006	14.7195	11.4092	CTL2	3297	3301	3302	3303	-0.18	
-3301	H11	SLES	1	-12.5593	14.1131	11.9549	HAL2	3300	0	0	0	0.09	
-3302	H11	SLES	1	-11.0826	15.1207	12.1604	HAL2	3300	0	0	0	0.09	
-3303	C12	SLES	1	-11.0335	13.7953	10.4285	CTL3	3300	3304	3305	3306	-0.27	
-3304	H12	SLES	1	-11.4272	12.7566	10.4883	HAL3	3303	0	0	0	0.09	
-3305	H12	SLES	1	-9.95015	13.7787	10.6804	HAL3	3303	0	0	0	0.09	
-3306	H12	SLES	1	-11.1488	14.1583	9.38401	HAL3	3303	0	0	0	0.09	
-3307	NA	SLES	1	-11.8053	36.2892	22.2669	NA	0	0	0	0	1	
-3308	S	SLES	1	-12.5991	36.4478	18.7038	SL	3309	3310	3311	3312	1.33	
-3309	OS1	SLES	1	-11.7867	35.1791	19.4372	OSL	3308	3313	0	0	-0.28	
-3310	OS2	SLES	1	-13.8731	36.5637	19.3827	O2L	3308	0	0	0	-0.65	
-3311	OS3	SLES	1	-11.8017	37.6315	18.9481	O2L	3308	0	0	0	-0.65	
-3312	OS4	SLES	1	-12.8125	36.2812	17.2752	O2L	3308	0	0	0	-0.65	
-3313	C2	SLES	1	-11.6293	34.0462	18.4821	CC32A	3309	3314	3315	3316	-0.11	
-3314	H2A	SLES	1	-12.6292	33.7292	18.0737	HCA2	3313	0	0	0	0.09	
-3315	H2B	SLES	1	-10.9784	34.3858	17.6293	HCA2	3313	0	0	0	0.09	
-3316	C1	SLES	1	-10.9367	32.8124	19.2331	CC32A	3313	3317	3318	3319	-0.01	
-3317	H1B	SLES	1	-11.5345	32.5309	20.1304	HCA2	3316	0	0	0	0.09	
-3318	H1A	SLES	1	-9.90915	33.0955	19.5603	HCA2	3316	0	0	0	0.09	
-3319	O1	SLES	1	-10.7566	31.5253	18.5339	OC30A	3316	3320	0	0	-0.34	
-3320	C2	SLES	1	-10.8437	31.5553	17.0937	CC32A	3319	3321	3322	3323	-0.01	
-3321	H2A	SLES	1	-11.8775	31.9212	16.9381	HCA2	3320	0	0	0	0.09	
-3322	H2B	SLES	1	-10.1315	32.3685	16.8274	HCA2	3320	0	0	0	0.09	
-3323	C1	SLES	1	-10.5882	30.3148	16.181	CC32A	3320	3324	3325	3326	-0.01	
-3324	H1B	SLES	1	-11.5444	29.7757	16.0044	HCA2	3323	0	0	0	0.09	
-3325	H1A	SLES	1	-10.1868	30.6548	15.2054	HCA2	3323	0	0	0	0.09	
-3326	O1	SLES	1	-9.7337	29.1923	16.5718	OC30A	3323	3327	0	0	-0.34	
-3327	C1	SLES	1	-9.06261	28.5015	15.4554	CTL2	3326	3328	3329	3330	-0.18	
-3328	H11	SLES	1	-9.51216	28.8809	14.5199	HAL2	3327	0	0	0	0.09	
-3329	H12	SLES	1	-8.03092	28.9008	15.5418	HAL2	3327	0	0	0	0.09	
-3330	C2	SLES	1	-9.02466	26.9224	15.4228	CTL2	3327	3331	3332	3333	-0.18	
-3331	H21	SLES	1	-9.58663	26.5261	16.2981	HAL2	3330	0	0	0	0.09	
-3332	H22	SLES	1	-7.96905	26.5843	15.5122	HAL2	3330	0	0	0	0.09	
-3333	C3	SLES	1	-9.65858	26.3194	14.0764	CTL2	3330	3334	3335	3336	-0.18	
-3334	H31	SLES	1	-10.6725	25.92	14.3017	HAL2	3333	0	0	0	0.09	
-3335	H32	SLES	1	-9.77156	27.1343	13.3338	HAL2	3333	0	0	0	0.09	
-3336	C4	SLES	1	-8.78003	25.163	13.4414	CTL2	3333	3337	3338	3339	-0.18	
-3337	H41	SLES	1	-9.2416	24.1841	13.6879	HAL2	3336	0	0	0	0.09	
-3338	H42	SLES	1	-7.76483	25.1862	13.8929	HAL2	3336	0	0	0	0.09	
-3339	C5	SLES	1	-8.64564	25.2929	11.8572	CTL2	3336	3340	3341	3342	-0.18	
-3340	H51	SLES	1	-9.44805	25.9639	11.4785	HAL2	3339	0	0	0	0.09	
-3341	H52	SLES	1	-7.6647	25.7613	11.6136	HAL2	3339	0	0	0	0.09	
-3342	C6	SLES	1	-8.74912	23.9064	11.1167	CTL2	3339	3343	3344	3345	-0.18	
-3343	H61	SLES	1	-9.80366	23.5522	11.1555	HAL2	3342	0	0	0	0.09	
-3344	H62	SLES	1	-8.47362	24.0467	10.0453	HAL2	3342	0	0	0	0.09	
-3345	C7	SLES	1	-7.82221	22.816	11.7411	CTL2	3342	3346	3347	3348	-0.18	
-3346	H71	SLES	1	-8.32171	22.3849	12.637	HAL2	3345	0	0	0	0.09	
-3347	H72	SLES	1	-6.87266	23.292	12.073	HAL2	3345	0	0	0	0.09	
-3348	C8	SLES	1	-7.49386	21.6724	10.7491	CTL2	3345	3349	3350	3351	-0.18	
-3349	H81	SLES	1	-8.43268	21.3466	10.2453	HAL2	3348	0	0	0	0.09	
-3350	H82	SLES	1	-6.79949	22.0568	9.96766	HAL2	3348	0	0	0	0.09	
-3351	C9	SLES	1	-6.84424	20.4515	11.4475	CTL2	3348	3352	3353	3354	-0.18	
-3352	H91	SLES	1	-7.52623	20.0861	12.2485	HAL2	3351	0	0	0	0.09	
-3353	H92	SLES	1	-5.89198	20.7721	11.927	HAL2	3351	0	0	0	0.09	
-3354	C10	SLES	1	-6.55018	19.2911	10.4675	CTL2	3351	3355	3356	3357	-0.18	
-3355	H10	SLES	1	-7.50604	18.9546	10.0051	HAL2	3354	0	0	0	0.09	
-3356	H10	SLES	1	-5.88611	19.6615	9.65403	HAL2	3354	0	0	0	0.09	
-3357	C11	SLES	1	-5.87159	18.0822	11.1647	CTL2	3354	3358	3359	3360	-0.18	
-3358	H11	SLES	1	-6.5426	17.7111	11.9728	HAL2	3357	0	0	0	0.09	
-3359	H11	SLES	1	-4.9255	18.4274	11.6408	HAL2	3357	0	0	0	0.09	
-3360	C12	SLES	1	-5.54849	16.9079	10.2049	CTL3	3357	3361	3362	3363	-0.27	
-3361	H12	SLES	1	-6.06979	15.9829	10.5366	HAL3	3360	0	0	0	0.09	
-3362	H12	SLES	1	-4.45371	16.7115	10.1892	HAL3	3360	0	0	0	0.09	
-3363	H12	SLES	1	-5.87979	17.1501	9.17157	HAL3	3360	0	0	0	0.09	
-3364	NA	SLES	1	1.64705	38.5509	21.522	NA	0	0	0	0	1	
-3365	S	SLES	1	-0.12208	38.7425	18.3308	SL	3366	3367	3368	3369	1.33	
-3366	OS1	SLES	1	0.641536	37.3677	18.9088	OSL	3365	3370	0	0	-0.28	
-3367	OS2	SLES	1	-1.10026	39.1173	19.3308	O2L	3365	0	0	0	-0.65	
-3368	OS3	SLES	1	0.901446	39.7624	18.2368	O2L	3365	0	0	0	-0.65	
-3369	OS4	SLES	1	-0.772088	38.5736	17.041	O2L	3365	0	0	0	-0.65	
-3370	C2	SLES	1	0.315045	36.1956	18.0486	CC32A	3366	3371	3372	3373	-0.11	
-3371	H2A	SLES	1	-0.799556	36.0594	17.9693	HCA2	3370	0	0	0	0.09	
-3372	H2B	SLES	1	0.733646	36.3795	17.0204	HCA2	3370	0	0	0	0.09	
-3373	C1	SLES	1	0.977108	34.8781	18.6745	CC32A	3370	3374	3375	3376	-0.01	
-3374	H1B	SLES	1	0.631426	34.7427	19.7252	HCA2	3373	0	0	0	0.09	
-3375	H1A	SLES	1	2.088	34.9733	18.6712	HCA2	3373	0	0	0	0.09	
-3376	O1	SLES	1	0.721096	33.5585	18.0654	OC30A	3373	3377	0	0	-0.34	
-3377	C2	SLES	1	0.219969	33.5586	16.7121	CC32A	3376	3378	3379	3380	-0.01	
-3378	H2A	SLES	1	-0.735578	34.1071	16.8256	HCA2	3377	0	0	0	0.09	
-3379	H2B	SLES	1	0.949803	34.2145	16.1862	HCA2	3377	0	0	0	0.09	
-3380	C1	SLES	1	-0.0202166	32.2637	15.8736	CC32A	3377	3381	3382	3383	-0.01	
-3381	H1B	SLES	1	-1.06323	31.9087	16.0223	HCA2	3380	0	0	0	0.09	
-3382	H1A	SLES	1	0.127751	32.491	14.7989	HCA2	3380	0	0	0	0.09	
-3383	O1	SLES	1	0.707043	31.0137	16.1001	OC30A	3380	3384	0	0	-0.34	
-3384	C1	SLES	1	0.891343	30.1739	14.9023	CTL2	3383	3385	3386	3387	-0.18	
-3385	H11	SLES	1	0.257712	30.6011	14.104	HAL2	3384	0	0	0	0.09	
-3386	H12	SLES	1	1.95496	30.3747	14.658	HAL2	3384	0	0	0	0.09	
-3387	C2	SLES	1	0.648222	28.6155	14.9951	CTL2	3384	3388	3389	3390	-0.18	
-3388	H21	SLES	1	0.310116	28.36	16.0243	HAL2	3387	0	0	0	0.09	
-3389	H22	SLES	1	1.60948	28.0881	14.8097	HAL2	3387	0	0	0	0.09	
-3390	C3	SLES	1	-0.447352	28.0999	13.9404	CTL2	3387	3391	3392	3393	-0.18	
-3391	H31	SLES	1	-1.40242	27.9056	14.4775	HAL2	3390	0	0	0	0.09	
-3392	H32	SLES	1	-0.633452	28.8975	13.1938	HAL2	3390	0	0	0	0.09	
-3393	C4	SLES	1	-0.0054963	26.7794	13.1833	CTL2	3390	3394	3395	3396	-0.18	
-3394	H41	SLES	1	-0.533772	25.913	13.6332	HAL2	3393	0	0	0	0.09	
-3395	H42	SLES	1	1.08606	26.6257	13.3244	HAL2	3393	0	0	0	0.09	
-3396	C5	SLES	1	-0.323739	26.8313	11.621	CTL2	3393	3397	3398	3399	-0.18	
-3397	H51	SLES	1	-1.0754	27.6288	11.4298	HAL2	3396	0	0	0	0.09	
-3398	H52	SLES	1	0.606714	27.099	11.07	HAL2	3396	0	0	0	0.09	
-3399	C6	SLES	1	-0.875585	25.4661	11.0614	CTL2	3396	3400	3401	3402	-0.18	
-3400	H61	SLES	1	-1.91611	25.3178	11.428	HAL2	3399	0	0	0	0.09	
-3401	H62	SLES	1	-0.908284	25.518	9.94797	HAL2	3399	0	0	0	0.09	
-3402	C7	SLES	1	-0.00595744	24.2413	11.4878	CTL2	3399	3403	3404	3405	-0.18	
-3403	H71	SLES	1	-0.285182	23.9406	12.5219	HAL2	3402	0	0	0	0.09	
-3404	H72	SLES	1	1.06581	24.5407	11.4946	HAL2	3402	0	0	0	0.09	
-3405	C8	SLES	1	-0.184451	23.0255	10.5447	CTL2	3402	3406	3407	3408	-0.18	
-3406	H81	SLES	1	-1.2712	22.8661	10.3577	HAL2	3405	0	0	0	0.09	
-3407	H82	SLES	1	0.303753	23.2475	9.56844	HAL2	3405	0	0	0	0.09	
-3408	C9	SLES	1	0.423981	21.7271	11.1314	CTL2	3405	3409	3410	3411	-0.18	
-3409	H91	SLES	1	-0.0435681	21.522	12.1212	HAL2	3408	0	0	0	0.09	
-3410	H92	SLES	1	1.51531	21.878	11.2918	HAL2	3408	0	0	0	0.09	
-3411	C10	SLES	1	0.213921	20.5015	10.211	CTL2	3408	3412	3413	3414	-0.18	
-3412	H10	SLES	1	-0.878482	20.3361	10.0693	HAL2	3411	0	0	0	0.09	
-3413	H10	SLES	1	0.661811	20.7144	9.21397	HAL2	3411	0	0	0	0.09	
-3414	C11	SLES	1	0.851269	19.2093	10.7873	CTL2	3411	3415	3416	3417	-0.18	
-3415	H11	SLES	1	0.395161	18.9969	11.7813	HAL2	3414	0	0	0	0.09	
-3416	H11	SLES	1	1.93999	19.3855	10.9441	HAL2	3414	0	0	0	0.09	
-3417	C12	SLES	1	0.672091	17.9653	9.87911	CTL3	3414	3418	3419	3420	-0.27	
-3418	H12	SLES	1	0.121964	17.1659	10.4228	HAL3	3417	0	0	0	0.09	
-3419	H12	SLES	1	1.6634	17.5663	9.57023	HAL3	3417	0	0	0	0.09	
-3420	H12	SLES	1	0.0974259	18.2325	8.96559	HAL3	3417	0	0	0	0.09	
-3421	NA	SLES	1	15.0202	36.1108	20.5544	NA	0	0	0	0	1	
-3422	S	SLES	1	12.473	36.8265	18.0345	SL	3423	3424	3425	3426	1.33	
-3423	OS1	SLES	1	13.0982	35.3028	18.3424	OSL	3422	3427	0	0	-0.28	
-3424	OS2	SLES	1	11.9145	37.2989	19.2845	O2L	3422	0	0	0	-0.65	
-3425	OS3	SLES	1	13.5983	37.6544	17.6541	O2L	3422	0	0	0	-0.65	
-3426	OS4	SLES	1	11.4582	36.8625	16.9937	O2L	3422	0	0	0	-0.65	
-3427	C2	SLES	1	12.3226	34.2675	17.6029	CC32A	3423	3428	3429	3430	-0.11	
-3428	H2A	SLES	1	11.2279	34.3352	17.8562	HCA2	3427	0	0	0	0.09	
-3429	H2B	SLES	1	12.4528	34.4442	16.4992	HCA2	3427	0	0	0	0.09	
-3430	C1	SLES	1	12.8772	32.8148	17.9873	CC32A	3427	3431	3432	3433	-0.01	
-3431	H1B	SLES	1	12.831	32.6713	19.0914	HCA2	3430	0	0	0	0.09	
-3432	H1A	SLES	1	13.9369	32.7131	17.6558	HCA2	3430	0	0	0	0.09	
-3433	O1	SLES	1	12.2126	31.6052	17.4648	OC30A	3430	3434	0	0	-0.34	
-3434	C2	SLES	1	11.3509	31.7851	16.3212	CC32A	3433	3435	3436	3437	-0.01	
-3435	H2A	SLES	1	10.59	32.4843	16.7201	HCA2	3434	0	0	0	0.09	
-3436	H2B	SLES	1	12.0073	32.3365	15.6109	HCA2	3434	0	0	0	0.09	
-3437	C1	SLES	1	10.6395	30.6126	15.5753	CC32A	3434	3438	3439	3440	-0.01	
-3438	H1B	SLES	1	9.63666	30.4373	16.0222	HCA2	3437	0	0	0	0.09	
-3439	H1A	SLES	1	10.5104	30.8827	14.5081	HCA2	3437	0	0	0	0.09	
-3440	O1	SLES	1	11.1524	29.2417	15.5598	OC30A	3437	3441	0	0	-0.34	
-3441	C1	SLES	1	10.8211	28.4657	14.3506	CTL2	3440	3442	3443	3444	-0.18	
-3442	H11	SLES	1	10.0759	29.0509	13.7819	HAL2	3441	0	0	0	0.09	
-3443	H12	SLES	1	11.7866	28.4924	13.8043	HAL2	3441	0	0	0	0.09	
-3444	C2	SLES	1	10.3267	26.9718	14.4915	CTL2	3441	3445	3446	3447	-0.18	
-3445	H21	SLES	1	10.2588	26.7106	15.5713	HAL2	3444	0	0	0	0.09	
-3446	H22	SLES	1	11.0761	26.2973	14.0225	HAL2	3444	0	0	0	0.09	
-3447	C3	SLES	1	8.89639	26.7297	13.8029	CTL2	3444	3448	3449	3450	-0.18	
-3448	H31	SLES	1	8.11867	26.6705	14.5966	HAL2	3447	0	0	0	0.09	
-3449	H32	SLES	1	8.65583	27.5963	13.1553	HAL2	3447	0	0	0	0.09	
-3450	C4	SLES	1	8.84382	25.4064	12.932	CTL2	3447	3451	3452	3453	-0.18	
-3451	H41	SLES	1	8.31509	24.618	13.5073	HAL2	3450	0	0	0	0.09	
-3452	H42	SLES	1	9.88027	25.0539	12.7409	HAL2	3450	0	0	0	0.09	
-3453	C5	SLES	1	8.10314	25.6193	11.5353	CTL2	3450	3454	3455	3456	-0.18	
-3454	H51	SLES	1	7.49234	26.5476	11.5859	HAL2	3453	0	0	0	0.09	
-3455	H52	SLES	1	8.86752	25.7558	10.7365	HAL2	3453	0	0	0	0.09	
-3456	C6	SLES	1	7.16657	24.4136	11.1472	CTL2	3453	3457	3458	3459	-0.18	
-3457	H61	SLES	1	6.26801	24.4262	11.8041	HAL2	3456	0	0	0	0.09	
-3458	H62	SLES	1	6.8237	24.5458	10.0944	HAL2	3456	0	0	0	0.09	
-3459	C7	SLES	1	7.87572	23.0289	11.2807	CTL2	3456	3460	3461	3462	-0.18	
-3460	H71	SLES	1	7.85606	22.7125	12.3471	HAL2	3459	0	0	0	0.09	
-3461	H72	SLES	1	8.94	23.1338	10.9731	HAL2	3459	0	0	0	0.09	
-3462	C8	SLES	1	7.2068	21.9302	10.4176	CTL2	3459	3463	3464	3465	-0.18	
-3463	H81	SLES	1	6.1027	21.9775	10.5594	HAL2	3462	0	0	0	0.09	
-3464	H82	SLES	1	7.42452	22.1285	9.34338	HAL2	3462	0	0	0	0.09	
-3465	C9	SLES	1	7.70332	20.5082	10.7808	CTL2	3462	3466	3467	3468	-0.18	
-3466	H91	SLES	1	7.51208	20.322	11.862	HAL2	3465	0	0	0	0.09	
-3467	H92	SLES	1	8.80243	20.4536	10.612	HAL2	3465	0	0	0	0.09	
-3468	C10	SLES	1	7.00949	19.404	9.94855	CTL2	3465	3469	3470	3471	-0.18	
-3469	H10	SLES	1	5.91204	19.4434	10.1352	HAL2	3468	0	0	0	0.09	
-3470	H10	SLES	1	7.18166	19.6019	8.86633	HAL2	3468	0	0	0	0.09	
-3471	C11	SLES	1	7.53131	17.9838	10.2933	CTL2	3468	3472	3473	3474	-0.18	
-3472	H11	SLES	1	7.35063	17.788	11.375	HAL2	3471	0	0	0	0.09	
-3473	H11	SLES	1	8.63168	17.9547	10.1222	HAL2	3471	0	0	0	0.09	
-3474	C12	SLES	1	6.86653	16.8552	9.46331	CTL3	3471	3475	3476	3477	-0.27	
-3475	H12	SLES	1	6.35699	16.13	10.1355	HAL3	3474	0	0	0	0.09	
-3476	H12	SLES	1	7.63263	16.3098	8.86915	HAL3	3474	0	0	0	0.09	
-3477	H12	SLES	1	6.11325	17.2806	8.76493	HAL3	3474	0	0	0	0.09	
-3478	NA	SLES	1	26.7112	29.3508	19.4197	NA	0	0	0	0	1	
-3479	S	SLES	1	23.8132	30.8739	17.7972	SL	3480	3481	3482	3483	1.33	
-3480	OS1	SLES	1	24.1728	29.2381	17.7513	OSL	3479	3484	0	0	-0.28	
-3481	OS2	SLES	1	23.6945	31.2267	19.1969	O2L	3479	0	0	0	-0.65	
-3482	OS3	SLES	1	24.951	31.553	17.2133	O2L	3479	0	0	0	-0.65	
-3483	OS4	SLES	1	22.5988	31.2442	17.0883	O2L	3479	0	0	0	-0.65	
-3484	C2	SLES	1	23.0427	28.478	17.1466	CC32A	3480	3485	3486	3487	-0.11	
-3485	H2A	SLES	1	22.084	28.6856	17.6988	HCA2	3484	0	0	0	0.09	
-3486	H2B	SLES	1	22.9248	28.8047	16.0763	HCA2	3484	0	0	0	0.09	
-3487	C1	SLES	1	23.369	26.9107	17.2011	CC32A	3484	3488	3489	3490	-0.01	
-3488	H1B	SLES	1	23.5734	26.6024	18.2522	HCA2	3487	0	0	0	0.09	
-3489	H1A	SLES	1	24.268	26.6884	16.5802	HCA2	3487	0	0	0	0.09	
-3490	O1	SLES	1	22.3631	25.9279	16.7537	OC30A	3487	3491	0	0	-0.34	
-3491	C2	SLES	1	21.2971	26.4292	15.9202	CC32A	3490	3492	3493	3494	-0.01	
-3492	H2A	SLES	1	20.8191	27.1724	16.5881	HCA2	3491	0	0	0	0.09	
-3493	H2B	SLES	1	21.8519	26.97	15.1208	HCA2	3491	0	0	0	0.09	
-3494	C1	SLES	1	20.1983	25.526	15.2766	CC32A	3491	3495	3496	3497	-0.01	
-3495	H1B	SLES	1	19.3258	25.4509	15.9615	HCA2	3494	0	0	0	0.09	
-3496	H1A	SLES	1	19.863	25.9808	14.323	HCA2	3494	0	0	0	0.09	
-3497	O1	SLES	1	20.4014	24.1091	14.9697	OC30A	3494	3498	0	0	-0.34	
-3498	C1	SLES	1	19.6266	23.6025	13.8221	CTL2	3497	3499	3500	3501	-0.18	
-3499	H11	SLES	1	18.8975	24.3868	13.5494	HAL2	3498	0	0	0	0.09	
-3500	H12	SLES	1	20.4086	23.5551	13.0363	HAL2	3498	0	0	0	0.09	
-3501	C2	SLES	1	18.8906	22.2087	13.9299	CTL2	3498	3502	3503	3504	-0.18	
-3502	H21	SLES	1	19.0444	21.7932	14.951	HAL2	3501	0	0	0	0.09	
-3503	H22	SLES	1	19.3451	21.5026	13.2009	HAL2	3501	0	0	0	0.09	
-3504	C3	SLES	1	17.3149	22.3213	13.6418	CTL2	3501	3505	3506	3507	-0.18	
-3505	H31	SLES	1	16.766	22.2662	14.6083	HAL2	3504	0	0	0	0.09	
-3506	H32	SLES	1	17.1007	23.308	13.185	HAL2	3504	0	0	0	0.09	
-3507	C4	SLES	1	16.7777	21.1817	12.68	CTL2	3504	3508	3509	3510	-0.18	
-3508	H41	SLES	1	16.2615	20.4106	13.2892	HAL2	3507	0	0	0	0.09	
-3509	H42	SLES	1	17.639	20.6967	12.1722	HAL2	3507	0	0	0	0.09	
-3510	C5	SLES	1	15.7693	21.7353	11.5749	CTL2	3507	3511	3512	3513	-0.18	
-3511	H51	SLES	1	15.3925	22.7322	11.8939	HAL2	3510	0	0	0	0.09	
-3512	H52	SLES	1	16.3199	21.8686	10.6157	HAL2	3510	0	0	0	0.09	
-3513	C6	SLES	1	14.5405	20.7801	11.3316	CTL2	3510	3514	3515	3516	-0.18	
-3514	H61	SLES	1	13.8576	20.8369	12.2087	HAL2	3513	0	0	0	0.09	
-3515	H62	SLES	1	13.9786	21.1341	10.4358	HAL2	3513	0	0	0	0.09	
-3516	C7	SLES	1	14.9639	19.2934	11.1112	CTL2	3513	3517	3518	3519	-0.18	
-3517	H71	SLES	1	15.1488	18.8184	12.1001	HAL2	3516	0	0	0	0.09	
-3518	H72	SLES	1	15.9152	19.2675	10.5344	HAL2	3516	0	0	0	0.09	
-3519	C8	SLES	1	13.8909	18.4736	10.352	CTL2	3516	3520	3521	3522	-0.18	
-3520	H81	SLES	1	12.8912	18.6807	10.7982	HAL2	3519	0	0	0	0.09	
-3521	H82	SLES	1	13.8676	18.802	9.28792	HAL2	3519	0	0	0	0.09	
-3522	C9	SLES	1	14.1632	16.9494	10.4056	CTL2	3519	3523	3524	3525	-0.18	
-3523	H91	SLES	1	14.2158	16.6272	11.4704	HAL2	3522	0	0	0	0.09	
-3524	H92	SLES	1	15.1499	16.7402	9.9344	HAL2	3522	0	0	0	0.09	
-3525	C10	SLES	1	13.0733	16.1234	9.68225	CTL2	3522	3526	3527	3528	-0.18	
-3526	H10	SLES	1	12.0895	16.3146	10.1685	HAL2	3525	0	0	0	0.09	
-3527	H10	SLES	1	13.0047	16.4603	8.62309	HAL2	3525	0	0	0	0.09	
-3528	C11	SLES	1	13.3652	14.5996	9.71146	CTL2	3525	3529	3530	3531	-0.18	
-3529	H11	SLES	1	13.426	14.2663	10.7727	HAL2	3528	0	0	0	0.09	
-3530	H11	SLES	1	14.3577	14.4155	9.24044	HAL2	3528	0	0	0	0.09	
-3531	C12	SLES	1	12.2984	13.7448	8.97953	CTL3	3528	3532	3533	3534	-0.27	
-3532	H12	SLES	1	11.8376	13.0165	9.68286	HAL3	3531	0	0	0	0.09	
-3533	H12	SLES	1	12.7635	13.1816	8.14057	HAL3	3531	0	0	0	0.09	
-3534	H12	SLES	1	11.4965	14.3957	8.56782	HAL3	3531	0	0	0	0.09	
-3535	NA	SLES	1	35.4052	19.1736	18.1914	NA	0	0	0	0	1	
-3536	S	SLES	1	32.6436	21.4904	17.5945	SL	3537	3538	3539	3540	1.33	
-3537	OS1	SLES	1	32.6362	19.8745	17.1515	OSL	3536	3541	0	0	-0.28	
-3538	OS2	SLES	1	32.8625	21.5205	19.0258	O2L	3536	0	0	0	-0.65	
-3539	OS3	SLES	1	33.7708	22.0901	16.9115	O2L	3536	0	0	0	-0.65	
-3540	OS4	SLES	1	31.4247	22.2113	17.2646	O2L	3536	0	0	0	-0.65	
-3541	C2	SLES	1	31.2798	19.4741	16.6825	CC32A	3537	3542	3543	3544	-0.11	
-3542	H2A	SLES	1	30.5051	19.7019	17.4668	HCA2	3541	0	0	0	0.09	
-3543	H2B	SLES	1	31.0374	20.0571	15.751	HCA2	3541	0	0	0	0.09	
-3544	C1	SLES	1	31.2734	17.9059	16.3563	CC32A	3541	3545	3546	3547	-0.01	
-3545	H1B	SLES	1	31.599	17.3307	17.2535	HCA2	3544	0	0	0	0.09	
-3546	H1A	SLES	1	31.9749	17.6899	15.517	HCA2	3544	0	0	0	0.09	
-3547	O1	SLES	1	30.0183	17.2347	15.9661	OC30A	3544	3548	0	0	-0.34	
-3548	C2	SLES	1	28.9463	18.0859	15.509	CC32A	3547	3549	3550	3551	-0.01	
-3549	H2A	SLES	1	28.7672	18.7204	16.3991	HCA2	3548	0	0	0	0.09	
-3550	H2B	SLES	1	29.445	18.6997	14.7254	HCA2	3548	0	0	0	0.09	
-3551	C1	SLES	1	27.5826	17.5522	14.968	CC32A	3548	3552	3553	3554	-0.01	
-3552	H1B	SLES	1	26.8558	17.4639	15.8046	HCA2	3551	0	0	0	0.09	
-3553	H1A	SLES	1	27.1802	18.2665	14.222	HCA2	3551	0	0	0	0.09	
-3554	O1	SLES	1	27.4229	16.233	14.3539	OC30A	3551	3555	0	0	-0.34	
-3555	C1	SLES	1	26.3604	16.144	13.3355	CTL2	3554	3556	3557	3558	-0.18	
-3556	H11	SLES	1	25.775	17.0795	13.3925	HAL2	3555	0	0	0	0.09	
-3557	H12	SLES	1	26.9559	16.1535	12.3992	HAL2	3555	0	0	0	0.09	
-3558	C2	SLES	1	25.3806	14.9046	13.3342	CTL2	3555	3559	3560	3561	-0.18	
-3559	H21	SLES	1	25.6296	14.2422	14.1933	HAL2	3558	0	0	0	0.09	
-3560	H22	SLES	1	25.5337	14.3237	12.3984	HAL2	3558	0	0	0	0.09	
-3561	C3	SLES	1	23.8383	15.3396	13.4377	CTL2	3558	3562	3563	3564	-0.18	
-3562	H31	SLES	1	23.4785	15.1512	14.4737	HAL2	3561	0	0	0	0.09	
-3563	H32	SLES	1	23.7558	16.4273	13.2418	HAL2	3561	0	0	0	0.09	
-3564	C4	SLES	1	22.9052	14.5614	12.4199	CTL2	3561	3565	3566	3567	-0.18	
-3565	H41	SLES	1	22.3601	13.7651	12.9685	HAL2	3564	0	0	0	0.09	
-3566	H42	SLES	1	23.5362	14.0736	11.6461	HAL2	3564	0	0	0	0.09	
-3567	C5	SLES	1	21.8493	15.5168	11.7008	CTL2	3564	3568	3569	3570	-0.18	
-3568	H51	SLES	1	21.7562	16.4594	12.2842	HAL2	3567	0	0	0	0.09	
-3569	H52	SLES	1	22.2287	15.7782	10.6865	HAL2	3567	0	0	0	0.09	
-3570	C6	SLES	1	20.4239	14.8611	11.5611	CTL2	3567	3571	3572	3573	-0.18	
-3571	H61	SLES	1	19.9423	14.8228	12.564	HAL2	3570	0	0	0	0.09	
-3572	H62	SLES	1	19.7933	15.5025	10.9021	HAL2	3570	0	0	0	0.09	
-3573	C7	SLES	1	20.4768	13.4183	10.9662	CTL2	3570	3574	3575	3576	-0.18	
-3574	H71	SLES	1	20.7372	12.7013	11.776	HAL2	3573	0	0	0	0.09	
-3575	H72	SLES	1	21.2781	13.3717	10.1954	HAL2	3573	0	0	0	0.09	
-3576	C8	SLES	1	19.1341	12.9875	10.3252	CTL2	3573	3577	3578	3579	-0.18	
-3577	H81	SLES	1	18.3004	13.2463	11.0175	HAL2	3576	0	0	0	0.09	
-3578	H82	SLES	1	18.9841	13.555	9.37858	HAL2	3576	0	0	0	0.09	
-3579	C9	SLES	1	19.0847	11.4696	10.0187	CTL2	3576	3580	3581	3582	-0.18	
-3580	H91	SLES	1	19.2643	10.903	10.9606	HAL2	3579	0	0	0	0.09	
-3581	H92	SLES	1	19.9009	11.2168	9.30502	HAL2	3579	0	0	0	0.09	
-3582	C10	SLES	1	17.731	11.0272	9.41451	CTL2	3579	3583	3584	3585	-0.18	
-3583	H10	SLES	1	16.9166	11.2588	10.1384	HAL2	3582	0	0	0	0.09	
-3584	H10	SLES	1	17.5403	11.6092	8.48449	HAL2	3582	0	0	0	0.09	
-3585	C11	SLES	1	17.6961	9.51223	9.08039	CTL2	3582	3586	3587	3588	-0.18	
-3586	H11	SLES	1	17.8805	8.93444	10.0149	HAL2	3585	0	0	0	0.09	
-3587	H11	SLES	1	18.5232	9.28238	8.37042	HAL2	3585	0	0	0	0.09	
-3588	C12	SLES	1	16.3569	9.04033	8.45716	CTL3	3585	3589	3590	3591	-0.27	
-3589	H12	SLES	1	15.8914	8.25394	9.09134	HAL3	3588	0	0	0	0.09	
-3590	H12	SLES	1	16.5299	8.62039	7.44174	HAL3	3588	0	0	0	0.09	
-3591	H12	SLES	1	15.648	9.89255	8.37207	HAL3	3588	0	0	0	0.09	
-3592	NA	SLES	1	40.2245	6.83093	16.9532	NA	0	0	0	0	1	
-3593	S	SLES	1	37.9597	9.66345	17.398	SL	3594	3595	3596	3597	1.33	
-3594	OS1	SLES	1	37.5733	8.26501	16.5599	OSL	3593	3598	0	0	-0.28	
-3595	OS2	SLES	1	38.3192	9.2499	18.7386	O2L	3593	0	0	0	-0.65	
-3596	OS3	SLES	1	39.1144	10.2271	16.7305	O2L	3593	0	0	0	-0.65	
-3597	OS4	SLES	1	36.8908	10.6477	17.4532	O2L	3593	0	0	0	-0.65	
-3598	C2	SLES	1	36.124	8.25428	16.214	CC32A	3594	3599	3600	3601	-0.11	
-3599	H2A	SLES	1	35.4942	8.38181	17.1383	HCA2	3598	0	0	0	0.09	
-3600	H2B	SLES	1	35.918	9.10922	15.5119	HCA2	3598	0	0	0	0.09	
-3601	C1	SLES	1	35.76	6.86769	15.4994	CC32A	3598	3602	3603	3604	-0.01	
-3602	H1B	SLES	1	36.0453	6.01536	16.1581	HCA2	3601	0	0	0	0.09	
-3603	H1A	SLES	1	36.3157	6.77945	14.5368	HCA2	3601	0	0	0	0.09	
-3604	O1	SLES	1	34.3608	6.56171	15.1436	OC30A	3601	3605	0	0	-0.34	
-3605	C2	SLES	1	33.4496	7.67939	15.0889	CC32A	3604	3606	3607	3608	-0.01	
-3606	H2A	SLES	1	33.4943	8.05784	16.1289	HCA2	3605	0	0	0	0.09	
-3607	H2B	SLES	1	33.9857	8.39342	14.4239	HCA2	3605	0	0	0	0.09	
-3608	C1	SLES	1	31.9584	7.56449	14.641	CC32A	3605	3609	3610	3611	-0.01	
-3609	H1B	SLES	1	31.3147	7.37068	15.5265	HCA2	3608	0	0	0	0.09	
-3610	H1A	SLES	1	31.642	8.51866	14.174	HCA2	3608	0	0	0	0.09	
-3611	O1	SLES	1	31.4687	6.52067	13.7391	OC30A	3608	3612	0	0	-0.34	
-3612	C1	SLES	1	30.3164	6.90795	12.9047	CTL2	3611	3613	3614	3615	-0.18	
-3613	H11	SLES	1	29.9465	7.87588	13.2888	HAL2	3612	0	0	0	0.09	
-3614	H12	SLES	1	30.8062	7.07819	11.9237	HAL2	3612	0	0	0	0.09	
-3615	C2	SLES	1	29.1051	5.90837	12.7321	CTL2	3612	3616	3617	3618	-0.18	
-3616	H21	SLES	1	29.2939	4.99774	13.3436	HAL2	3615	0	0	0	0.09	
-3617	H22	SLES	1	29.0417	5.59795	11.6662	HAL2	3615	0	0	0	0.09	
-3618	C3	SLES	1	27.7046	6.55652	13.1761	CTL2	3615	3619	3620	3621	-0.18	
-3619	H31	SLES	1	27.4168	6.14853	14.1705	HAL2	3618	0	0	0	0.09	
-3620	H32	SLES	1	27.8311	7.65242	13.282	HAL2	3618	0	0	0	0.09	
-3621	C4	SLES	1	26.535	6.27098	12.1452	CTL2	3618	3622	3623	3624	-0.18	
-3622	H41	SLES	1	25.8928	5.45905	12.5458	HAL2	3621	0	0	0	0.09	
-3623	H42	SLES	1	26.972	5.91991	11.1856	HAL2	3621	0	0	0	0.09	
-3624	C5	SLES	1	25.6354	7.55816	11.8647	CTL2	3621	3625	3626	3627	-0.18	
-3625	H51	SLES	1	25.7978	8.29899	12.6785	HAL2	3624	0	0	0	0.09	
-3626	H52	SLES	1	25.9596	8.02548	10.9069	HAL2	3624	0	0	0	0.09	
-3627	C6	SLES	1	24.0982	7.22549	11.7778	CTL2	3624	3628	3629	3630	-0.18	
-3628	H61	SLES	1	23.7198	6.98958	12.7977	HAL2	3627	0	0	0	0.09	
-3629	H62	SLES	1	23.5531	8.12588	11.4095	HAL2	3627	0	0	0	0.09	
-3630	C7	SLES	1	23.7917	6.0229	10.8301	CTL2	3627	3631	3632	3633	-0.18	
-3631	H71	SLES	1	23.9754	5.07266	11.3788	HAL2	3630	0	0	0	0.09	
-3632	H72	SLES	1	24.4863	6.05784	9.96144	HAL2	3630	0	0	0	0.09	
-3633	C8	SLES	1	22.3325	6.02962	10.3102	CTL2	3630	3634	3635	3636	-0.18	
-3634	H81	SLES	1	21.6427	6.22268	11.1636	HAL2	3633	0	0	0	0.09	
-3635	H82	SLES	1	22.2117	6.8583	9.57583	HAL2	3633	0	0	0	0.09	
-3636	C9	SLES	1	21.9391	4.69238	9.63394	CTL2	3633	3637	3638	3639	-0.18	
-3637	H91	SLES	1	22.0884	3.86081	10.3596	HAL2	3636	0	0	0	0.09	
-3638	H92	SLES	1	22.611	4.5141	8.76434	HAL2	3636	0	0	0	0.09	
-3639	C10	SLES	1	20.4704	4.67972	9.14783	CTL2	3636	3640	3641	3642	-0.18	
-3640	H10	SLES	1	19.7969	4.83479	10.0214	HAL2	3639	0	0	0	0.09	
-3641	H10	SLES	1	20.3146	5.52442	8.43914	HAL2	3639	0	0	0	0.09	
-3642	C11	SLES	1	20.089	3.35056	8.44371	CTL2	3639	3643	3644	3645	-0.18	
-3643	H11	SLES	1	20.2399	2.50966	9.1587	HAL2	3642	0	0	0	0.09	
-3644	H11	SLES	1	20.7766	3.19099	7.58194	HAL2	3642	0	0	0	0.09	
-3645	C12	SLES	1	18.6265	3.31292	7.92966	CTL3	3642	3646	3647	3648	-0.27	
-3646	H12	SLES	1	18.0721	2.47241	8.40249	HAL3	3645	0	0	0	0.09	
-3647	H12	SLES	1	18.6081	3.17337	6.82624	HAL3	3645	0	0	0	0.09	
-3648	H12	SLES	1	18.1052	4.26376	8.17527	HAL3	3645	0	0	0	0.09	
-3649	NA	SLES	1	40.7852	-6.27438	15.7888	NA	0	0	0	0	1	
-3650	S	SLES	1	39.1254	-3.33106	17.179	SL	3651	3652	3653	3654	1.33	
-3651	OS1	SLES	1	38.4699	-4.31522	15.9919	OSL	3650	3655	0	0	-0.28	
-3652	OS2	SLES	1	39.3963	-4.18702	18.3154	O2L	3650	0	0	0	-0.65	
-3653	OS3	SLES	1	40.3686	-2.82186	16.6388	O2L	3650	0	0	0	-0.65	
-3654	OS4	SLES	1	38.2723	-2.22535	17.584	O2L	3650	0	0	0	-0.65	
-3655	C2	SLES	1	37.047	-3.94831	15.7449	CC32A	3651	3656	3657	3658	-0.11	
-3656	H2A	SLES	1	36.4551	-3.98694	16.7017	HCA2	3655	0	0	0	0.09	
-3657	H2B	SLES	1	37.014	-2.89964	15.3382	HCA2	3655	0	0	0	0.09	
-3658	C1	SLES	1	36.4158	-4.96258	14.6778	CC32A	3655	3659	3660	3661	-0.01	
-3659	H1B	SLES	1	36.527	-6.01079	15.0393	HCA2	3658	0	0	0	0.09	
-3660	H1A	SLES	1	36.9428	-4.86175	13.7005	HCA2	3658	0	0	0	0.09	
-3661	O1	SLES	1	34.9836	-4.87831	14.3318	OC30A	3658	3662	0	0	-0.34	
-3662	C2	SLES	1	34.3114	-3.64466	14.6617	CC32A	3661	3663	3664	3665	-0.01	
-3663	H2A	SLES	1	34.4304	-3.61048	15.7624	HCA2	3662	0	0	0	0.09	
-3664	H2B	SLES	1	34.978	-2.87889	14.2049	HCA2	3662	0	0	0	0.09	
-3665	C1	SLES	1	32.8269	-3.33675	14.2893	CC32A	3662	3666	3667	3668	-0.01	
-3666	H1B	SLES	1	32.1577	-3.66168	15.1156	HCA2	3665	0	0	0	0.09	
-3667	H1A	SLES	1	32.7054	-2.24483	14.1425	HCA2	3665	0	0	0	0.09	
-3668	O1	SLES	1	32.1401	-3.95066	13.1516	OC30A	3665	3669	0	0	-0.34	
-3669	C1	SLES	1	31.087	-3.12126	12.5376	CTL2	3668	3670	3671	3672	-0.18	
-3670	H11	SLES	1	30.916	-2.26117	13.2101	HAL2	3669	0	0	0	0.09	
-3671	H12	SLES	1	31.6006	-2.76075	11.6224	HAL2	3669	0	0	0	0.09	
-3672	C2	SLES	1	29.7019	-3.776	12.1517	CTL2	3669	3673	3674	3675	-0.18	
-3673	H21	SLES	1	29.707	-4.8464	12.4567	HAL2	3672	0	0	0	0.09	
-3674	H22	SLES	1	29.5781	-3.73526	11.0473	HAL2	3672	0	0	0	0.09	
-3675	C3	SLES	1	28.4574	-3.0385	12.8487	CTL2	3672	3676	3677	3678	-0.18	
-3676	H31	SLES	1	28.0948	-3.66352	13.6949	HAL2	3675	0	0	0	0.09	
-3677	H32	SLES	1	28.7981	-2.06907	13.2637	HAL2	3675	0	0	0	0.09	
-3678	C4	SLES	1	27.2541	-2.77631	11.8508	CTL2	3675	3679	3680	3681	-0.18	
-3679	H41	SLES	1	26.4641	-3.53449	12.0329	HAL2	3678	0	0	0	0.09	
-3680	H42	SLES	1	27.6128	-2.89981	10.8062	HAL2	3678	0	0	0	0.09	
-3681	C5	SLES	1	26.6268	-1.31874	12.0144	CTL2	3678	3682	3683	3684	-0.18	
-3682	H51	SLES	1	26.9328	-0.90011	12.9985	HAL2	3681	0	0	0	0.09	
-3683	H52	SLES	1	27.0368	-0.65605	11.2183	HAL2	3681	0	0	0	0.09	
-3684	C6	SLES	1	25.0541	-1.31389	11.9252	CTL2	3681	3685	3686	3687	-0.18	
-3685	H61	SLES	1	24.6368	-1.76849	12.8516	HAL2	3684	0	0	0	0.09	
-3686	H62	SLES	1	24.6978	-0.258658	11.8703	HAL2	3684	0	0	0	0.09	
-3687	C7	SLES	1	24.5156	-2.09714	10.6863	CTL2	3684	3688	3689	3690	-0.18	
-3688	H71	SLES	1	24.5079	-3.18482	10.9201	HAL2	3687	0	0	0	0.09	
-3689	H72	SLES	1	25.2032	-1.93542	9.82645	HAL2	3687	0	0	0	0.09	
-3690	C8	SLES	1	23.0864	-1.65994	10.279	CTL2	3687	3691	3692	3693	-0.18	
-3691	H81	SLES	1	22.4487	-1.60474	11.1909	HAL2	3690	0	0	0	0.09	
-3692	H82	SLES	1	23.1317	-0.642225	9.82861	HAL2	3690	0	0	0	0.09	
-3693	C9	SLES	1	22.4361	-2.63398	9.26475	CTL2	3690	3694	3695	3696	-0.18	
-3694	H91	SLES	1	22.4182	-3.65715	9.70422	HAL2	3693	0	0	0	0.09	
-3695	H92	SLES	1	23.0593	-2.66714	8.34277	HAL2	3693	0	0	0	0.09	
-3696	C10	SLES	1	20.9939	-2.22325	8.88452	CTL2	3693	3697	3698	3699	-0.18	
-3697	H10	SLES	1	20.3645	-2.21268	9.80353	HAL2	3696	0	0	0	0.09	
-3698	H10	SLES	1	21.0081	-1.19165	8.46544	HAL2	3696	0	0	0	0.09	
-3699	C11	SLES	1	20.3569	-3.18367	7.84537	CTL2	3696	3700	3701	3702	-0.18	
-3700	H11	SLES	1	20.3388	-4.21269	8.27186	HAL2	3699	0	0	0	0.09	
-3701	H11	SLES	1	20.9992	-3.20463	6.93543	HAL2	3699	0	0	0	0.09	
-3702	C12	SLES	1	18.9157	-2.78909	7.43079	CTL3	3699	3703	3704	3705	-0.27	
-3703	H12	SLES	1	18.2062	-3.6122	7.66827	HAL3	3702	0	0	0	0.09	
-3704	H12	SLES	1	18.8699	-2.5858	6.33812	HAL3	3702	0	0	0	0.09	
-3705	H12	SLES	1	18.5929	-1.87496	7.97511	HAL3	3702	0	0	0	0.09	
-3706	NA	SLES	1	37.1705	-18.7664	14.7737	NA	0	0	0	0	1	
-3707	S	SLES	1	35.9589	-16.062	16.9111	SL	3708	3709	3710	3711	1.33	
-3708	OS1	SLES	1	35.251	-16.5117	15.4606	OSL	3707	3712	0	0	-0.28	
-3709	OS2	SLES	1	35.9538	-17.2417	17.751	O2L	3707	0	0	0	-0.65	
-3710	OS3	SLES	1	37.3217	-15.6883	16.5953	O2L	3707	0	0	0	-0.65	
-3711	OS4	SLES	1	35.2907	-14.9654	17.5933	O2L	3707	0	0	0	-0.65	
-3712	C2	SLES	1	33.952	-15.8046	15.279	CC32A	3708	3713	3714	3715	-0.11	
-3713	H2A	SLES	1	33.2728	-15.99	16.1573	HCA2	3712	0	0	0	0.09	
-3714	H2B	SLES	1	34.1542	-14.7003	15.2016	HCA2	3712	0	0	0	0.09	
-3715	C1	SLES	1	33.2505	-16.3216	13.935	CC32A	3712	3716	3717	3718	-0.01	
-3716	H1B	SLES	1	33.1293	-17.4287	13.9723	HCA2	3715	0	0	0	0.09	
-3717	H1A	SLES	1	33.8799	-16.0587	13.053	HCA2	3715	0	0	0	0.09	
-3718	O1	SLES	1	31.8997	-15.8491	13.5745	OC30A	3715	3719	0	0	-0.34	
-3719	C2	SLES	1	31.4394	-14.6487	14.2301	CC32A	3718	3720	3721	3722	-0.01	
-3720	H2A	SLES	1	31.4547	-14.9534	15.2949	HCA2	3719	0	0	0	0.09	
-3721	H2B	SLES	1	32.278	-13.9395	14.0479	HCA2	3719	0	0	0	0.09	
-3722	C1	SLES	1	30.0815	-13.9486	13.909	CC32A	3719	3723	3724	3725	-0.01	
-3723	H1B	SLES	1	29.2863	-14.3492	14.5747	HCA2	3722	0	0	0	0.09	
-3724	H1A	SLES	1	30.1799	-12.8593	14.0891	HCA2	3722	0	0	0	0.09	
-3725	O1	SLES	1	29.407	-14.0592	12.6146	OC30A	3722	3726	0	0	-0.34	
-3726	C1	SLES	1	28.5914	-12.8911	12.2348	CTL2	3725	3727	3728	3729	-0.18	
-3727	H11	SLES	1	28.5183	-12.241	13.1255	HAL2	3726	0	0	0	0.09	
-3728	H12	SLES	1	29.2498	-12.3998	11.4888	HAL2	3726	0	0	0	0.09	
-3729	C2	SLES	1	27.1531	-13.1091	11.6183	CTL2	3726	3730	3731	3732	-0.18	
-3730	H21	SLES	1	26.9295	-14.1991	11.5911	HAL2	3729	0	0	0	0.09	
-3731	H22	SLES	1	27.1474	-12.7322	10.5721	HAL2	3729	0	0	0	0.09	
-3732	C3	SLES	1	26.0053	-12.3594	12.4544	CTL2	3729	3733	3734	3735	-0.18	
-3733	H31	SLES	1	25.4521	-13.1099	13.0617	HAL2	3732	0	0	0	0.09	
-3734	H32	SLES	1	26.4781	-11.6395	13.1519	HAL2	3732	0	0	0	0.09	
-3735	C4	SLES	1	24.975	-11.5826	11.5339	CTL2	3732	3736	3737	3738	-0.18	
-3736	H41	SLES	1	24.0439	-12.1814	11.4516	HAL2	3735	0	0	0	0.09	
-3737	H42	SLES	1	25.4046	-11.476	10.5145	HAL2	3735	0	0	0	0.09	
-3738	C5	SLES	1	24.6165	-10.1346	12.0992	CTL2	3735	3739	3740	3741	-0.18	
-3739	H51	SLES	1	24.8973	-10.0848	13.1744	HAL2	3738	0	0	0	0.09	
-3740	H52	SLES	1	25.2181	-9.37282	11.5527	HAL2	3738	0	0	0	0.09	
-3741	C6	SLES	1	23.0884	-9.78041	11.9547	CTL2	3738	3742	3743	3744	-0.18	
-3742	H61	SLES	1	22.5055	-10.3828	12.6871	HAL2	3741	0	0	0	0.09	
-3743	H62	SLES	1	22.9415	-8.70315	12.2024	HAL2	3741	0	0	0	0.09	
-3744	C7	SLES	1	22.5372	-10.0515	10.5191	CTL2	3741	3745	3746	3747	-0.18	
-3745	H71	SLES	1	22.3048	-11.1348	10.4183	HAL2	3744	0	0	0	0.09	
-3746	H72	SLES	1	23.3235	-9.79799	9.7735	HAL2	3744	0	0	0	0.09	
-3747	C8	SLES	1	21.2609	-9.23173	10.2052	CTL2	3744	3748	3749	3750	-0.18	
-3748	H81	SLES	1	20.5586	-9.30712	11.0669	HAL2	3747	0	0	0	0.09	
-3749	H82	SLES	1	21.5382	-8.16026	10.08	HAL2	3747	0	0	0	0.09	
-3750	C9	SLES	1	20.5431	-9.72213	8.92283	CTL2	3747	3751	3752	3753	-0.18	
-3751	H91	SLES	1	20.2925	-10.8013	9.03705	HAL2	3750	0	0	0	0.09	
-3752	H92	SLES	1	21.2362	-9.62024	8.05754	HAL2	3750	0	0	0	0.09	
-3753	C10	SLES	1	19.2463	-8.93215	8.62646	CTL2	3750	3754	3755	3756	-0.18	
-3754	H10	SLES	1	18.5433	-9.05308	9.48196	HAL2	3753	0	0	0	0.09	
-3755	H10	SLES	1	19.4928	-7.85014	8.53405	HAL2	3753	0	0	0	0.09	
-3756	C11	SLES	1	18.5465	-9.40547	7.32486	CTL2	3753	3757	3758	3759	-0.18	
-3757	H11	SLES	1	18.296	-10.4864	7.42495	HAL2	3756	0	0	0	0.09	
-3758	H11	SLES	1	19.2594	-9.29951	6.47543	HAL2	3756	0	0	0	0.09	
-3759	C12	SLES	1	17.2512	-8.62111	6.99097	CTL3	3756	3760	3761	3762	-0.27	
-3760	H12	SLES	1	16.3814	-9.31294	6.94524	HAL3	3759	0	0	0	0.09	
-3761	H12	SLES	1	17.3507	-8.11137	6.0073	HAL3	3759	0	0	0	0.09	
-3762	H12	SLES	1	17.0523	-7.85283	7.76962	HAL3	3759	0	0	0	0.09	
-3763	NA	SLES	1	29.8532	-29.4246	13.9664	NA	0	0	0	0	1	
-3764	S	SLES	1	28.7687	-27.1054	16.5733	SL	3765	3766	3767	3768	1.33	
-3765	OS1	SLES	1	28.2725	-27.0319	14.9746	OSL	3764	3769	0	0	-0.28	
-3766	OS2	SLES	1	28.3985	-28.4198	17.0557	O2L	3764	0	0	0	-0.65	
-3767	OS3	SLES	1	30.2108	-26.9763	16.5537	O2L	3764	0	0	0	-0.65	
-3768	OS4	SLES	1	28.192	-26.0824	17.4308	O2L	3764	0	0	0	-0.65	
-3769	C2	SLES	1	27.1765	-26.0343	14.8196	CC32A	3765	3770	3771	3772	-0.11	
-3770	H2A	SLES	1	26.3247	-26.2687	15.5172	HCA2	3769	0	0	0	0.09	
-3771	H2B	SLES	1	27.5829	-25.0154	15.0703	HCA2	3769	0	0	0	0.09	
-3772	C1	SLES	1	26.6549	-26.0512	13.3052	CC32A	3769	3773	3774	3775	-0.01	
-3773	H1B	SLES	1	26.3337	-27.0811	13.0263	HCA2	3772	0	0	0	0.09	
-3774	H1A	SLES	1	27.473	-25.7316	12.6184	HCA2	3772	0	0	0	0.09	
-3775	O1	SLES	1	25.5	-25.2219	12.9094	OC30A	3772	3776	0	0	-0.34	
-3776	C2	SLES	1	25.1478	-24.1401	13.7972	CC32A	3775	3777	3778	3779	-0.01	
-3777	H2A	SLES	1	24.9115	-24.6841	14.7327	HCA2	3776	0	0	0	0.09	
-3778	H2B	SLES	1	26.1182	-23.61	13.9259	HCA2	3776	0	0	0	0.09	
-3779	C1	SLES	1	24.0194	-23.1031	13.4995	CC32A	3776	3780	3781	3782	-0.01	
-3780	H1B	SLES	1	23.0564	-23.4653	13.9208	HCA2	3779	0	0	0	0.09	
-3781	H1A	SLES	1	24.2752	-22.1365	13.9779	HCA2	3779	0	0	0	0.09	
-3782	O1	SLES	1	23.5871	-22.753	12.1455	OC30A	3779	3783	0	0	-0.34	
-3783	C1	SLES	1	23.0769	-21.3784	11.9898	CTL2	3782	3784	3785	3786	-0.18	
-3784	H11	SLES	1	22.9574	-20.9582	13.0049	HAL2	3783	0	0	0	0.09	
-3785	H12	SLES	1	23.9386	-20.8814	11.4982	HAL2	3783	0	0	0	0.09	
-3786	C2	SLES	1	21.7619	-21.1227	11.1521	CTL2	3783	3787	3788	3789	-0.18	
-3787	H21	SLES	1	21.3568	-22.0987	10.8027	HAL2	3786	0	0	0	0.09	
-3788	H22	SLES	1	22.0169	-20.517	10.2551	HAL2	3786	0	0	0	0.09	
-3789	C3	SLES	1	20.6316	-20.3592	11.9993	CTL2	3786	3790	3791	3792	-0.18	
-3790	H31	SLES	1	19.8509	-21.0919	12.3029	HAL2	3789	0	0	0	0.09	
-3791	H32	SLES	1	21.0878	-19.947	12.9214	HAL2	3789	0	0	0	0.09	
-3792	C4	SLES	1	19.9442	-19.1798	11.194	CTL2	3789	3793	3794	3795	-0.18	
-3793	H41	SLES	1	18.9529	-19.5224	10.8305	HAL2	3792	0	0	0	0.09	
-3794	H42	SLES	1	20.5668	-18.9317	10.3075	HAL2	3792	0	0	0	0.09	
-3795	C5	SLES	1	19.751	-17.8646	12.0759	CTL2	3792	3796	3797	3798	-0.18	
-3796	H51	SLES	1	19.8326	-18.1338	13.1521	HAL2	3795	0	0	0	0.09	
-3797	H52	SLES	1	20.5692	-17.1463	11.8399	HAL2	3795	0	0	0	0.09	
-3798	C6	SLES	1	18.3639	-17.1595	11.8307	CTL2	3795	3799	3800	3801	-0.18	
-3799	H61	SLES	1	17.5579	-17.775	12.2895	HAL2	3798	0	0	0	0.09	
-3800	H62	SLES	1	18.3679	-16.1664	12.3379	HAL2	3798	0	0	0	0.09	
-3801	C7	SLES	1	18.0483	-16.9548	10.3152	CTL2	3798	3802	3803	3804	-0.18	
-3802	H71	SLES	1	17.6494	-17.9051	9.89619	HAL2	3801	0	0	0	0.09	
-3803	H72	SLES	1	18.9911	-16.711	9.77676	HAL2	3801	0	0	0	0.09	
-3804	C8	SLES	1	17.0187	-15.8243	10.0674	CTL2	3801	3805	3806	3807	-0.18	
-3805	H81	SLES	1	16.1672	-15.9455	10.7757	HAL2	3804	0	0	0	0.09	
-3806	H82	SLES	1	17.5006	-14.8416	10.2736	HAL2	3804	0	0	0	0.09	
-3807	C9	SLES	1	16.4746	-15.827	8.61677	CTL2	3804	3808	3809	3810	-0.18	
-3808	H91	SLES	1	16.0192	-16.8203	8.40158	HAL2	3807	0	0	0	0.09	
-3809	H92	SLES	1	17.3226	-15.6778	7.91094	HAL2	3807	0	0	0	0.09	
-3810	C10	SLES	1	15.4167	-14.7243	8.37492	CTL2	3807	3811	3812	3813	-0.18	
-3811	H10	SLES	1	14.5576	-14.887	9.06496	HAL2	3810	0	0	0	0.09	
-3812	H10	SLES	1	15.8647	-13.7326	8.61116	HAL2	3810	0	0	0	0.09	
-3813	C11	SLES	1	14.8967	-14.7102	6.91297	CTL2	3810	3814	3815	3816	-0.18	
-3814	H11	SLES	1	14.4435	-15.7018	6.68382	HAL2	3813	0	0	0	0.09	
-3815	H11	SLES	1	15.7615	-14.5653	6.22598	HAL2	3813	0	0	0	0.09	
-3816	C12	SLES	1	13.8461	-13.6043	6.634	CTL3	3813	3817	3818	3819	-0.27	
-3817	H12	SLES	1	12.8907	-14.0571	6.28844	HAL3	3816	0	0	0	0.09	
-3818	H12	SLES	1	14.2149	-12.9107	5.8464	HAL3	3816	0	0	0	0.09	
-3819	H12	SLES	1	13.6467	-13.0179	7.55736	HAL3	3816	0	0	0	0.09	
-3820	NA	SLES	1	19.6025	-37.2583	13.403	NA	0	0	0	0	1	
-3821	S	SLES	1	18.3291	-35.216	16.1521	SL	3822	3823	3824	3825	1.33	
-3822	OS1	SLES	1	18.2734	-34.7712	14.5377	OSL	3821	3826	0	0	-0.28	
-3823	OS2	SLES	1	17.6201	-36.4747	16.2536	O2L	3821	0	0	0	-0.65	
-3824	OS3	SLES	1	19.7285	-35.4124	16.4678	O2L	3821	0	0	0	-0.65	
-3825	OS4	SLES	1	17.7476	-34.245	17.0651	O2L	3821	0	0	0	-0.65	
-3826	C2	SLES	1	17.4487	-33.5416	14.3692	CC32A	3822	3827	3828	3829	-0.11	
-3827	H2A	SLES	1	16.4208	-33.6903	14.8033	HCA2	3826	0	0	0	0.09	
-3828	H2B	SLES	1	17.9544	-32.6953	14.9117	HCA2	3826	0	0	0	0.09	
-3829	C1	SLES	1	17.3314	-33.1917	12.8105	CC32A	3826	3830	3831	3832	-0.01	
-3830	H1B	SLES	1	16.9119	-34.063	12.2569	HCA2	3829	0	0	0	0.09	
-3831	H1A	SLES	1	18.3398	-32.9554	12.3976	HCA2	3829	0	0	0	0.09	
-3832	O1	SLES	1	16.4814	-32.071	12.364	OC30A	3829	3833	0	0	-0.34	
-3833	C2	SLES	1	16.1162	-31.0988	13.3661	CC32A	3832	3834	3835	3836	-0.01	
-3834	H2A	SLES	1	15.5583	-31.7221	14.0921	HCA2	3833	0	0	0	0.09	
-3835	H2B	SLES	1	17.1016	-30.8285	13.8081	HCA2	3833	0	0	0	0.09	
-3836	C1	SLES	1	15.3038	-29.8006	13.0629	CC32A	3833	3837	3838	3839	-0.01	
-3837	H1B	SLES	1	14.2169	-30.0017	13.1828	HCA2	3836	0	0	0	0.09	
-3838	H1A	SLES	1	15.5995	-29.0082	13.7794	HCA2	3836	0	0	0	0.09	
-3839	O1	SLES	1	15.2967	-29.1446	11.7543	OC30A	3836	3840	0	0	-0.34	
-3840	C1	SLES	1	15.0968	-27.6842	11.7901	CTL2	3839	3841	3842	3843	-0.18	
-3841	H11	SLES	1	14.8025	-27.4207	12.8221	HAL2	3840	0	0	0	0.09	
-3842	H12	SLES	1	16.1292	-27.3194	11.6103	HAL2	3840	0	0	0	0.09	
-3843	C2	SLES	1	14.1032	-27.0058	10.766	CTL2	3840	3844	3845	3846	-0.18	
-3844	H21	SLES	1	13.6313	-27.7949	10.1387	HAL2	3843	0	0	0	0.09	
-3845	H22	SLES	1	14.6803	-26.3337	10.0938	HAL2	3843	0	0	0	0.09	
-3846	C3	SLES	1	12.9513	-26.1581	11.496	CTL2	3843	3847	3848	3849	-0.18	
-3847	H31	SLES	1	12.0013	-26.7366	11.4634	HAL2	3846	0	0	0	0.09	
-3848	H32	SLES	1	13.2265	-26.0162	12.5601	HAL2	3846	0	0	0	0.09	
-3849	C4	SLES	1	12.7118	-24.7385	10.833	CTL2	3846	3850	3851	3852	-0.18	
-3850	H41	SLES	1	11.7994	-24.7855	10.2025	HAL2	3849	0	0	0	0.09	
-3851	H42	SLES	1	13.5718	-24.4943	10.1728	HAL2	3849	0	0	0	0.09	
-3852	C5	SLES	1	12.5412	-23.577	11.9129	CTL2	3849	3853	3854	3855	-0.18	
-3853	H51	SLES	1	12.2993	-24.0309	12.8993	HAL2	3852	0	0	0	0.09	
-3854	H52	SLES	1	13.5073	-23.0318	12.0149	HAL2	3852	0	0	0	0.09	
-3855	C6	SLES	1	11.41	-22.5481	11.5343	CTL2	3852	3856	3857	3858	-0.18	
-3856	H61	SLES	1	10.4177	-23.034	11.6693	HAL2	3855	0	0	0	0.09	
-3857	H62	SLES	1	11.4638	-21.6785	12.2302	HAL2	3855	0	0	0	0.09	
-3858	C7	SLES	1	11.5286	-22.0315	10.0655	CTL2	3855	3859	3860	3861	-0.18	
-3859	H71	SLES	1	11.0847	-22.7859	9.37866	HAL2	3858	0	0	0	0.09	
-3860	H72	SLES	1	12.6046	-21.9204	9.80447	HAL2	3858	0	0	0	0.09	
-3861	C8	SLES	1	10.8142	-20.6739	9.85087	CTL2	3858	3862	3863	3864	-0.18	
-3862	H81	SLES	1	9.80422	-20.7157	10.3194	HAL2	3861	0	0	0	0.09	
-3863	H82	SLES	1	11.3965	-19.872	10.3593	HAL2	3861	0	0	0	0.09	
-3864	C9	SLES	1	10.6621	-20.3158	8.35122	CTL2	3861	3865	3866	3867	-0.18	
-3865	H91	SLES	1	10.1054	-21.1323	7.83761	HAL2	3864	0	0	0	0.09	
-3866	H92	SLES	1	11.6731	-20.2467	7.89026	HAL2	3864	0	0	0	0.09	
-3867	C10	SLES	1	9.91438	-18.9795	8.13037	CTL2	3864	3868	3869	3870	-0.18	
-3868	H10	SLES	1	8.89424	-19.0565	8.57102	HAL2	3867	0	0	0	0.09	
-3869	H10	SLES	1	10.4583	-18.1663	8.66213	HAL2	3867	0	0	0	0.09	
-3870	C11	SLES	1	9.79087	-18.6089	6.6286	CTL2	3867	3871	3872	3873	-0.18	
-3871	H11	SLES	1	9.24022	-19.422	6.10253	HAL2	3870	0	0	0	0.09	
-3872	H11	SLES	1	10.8125	-18.5508	6.1883	HAL2	3870	0	0	0	0.09	
-3873	C12	SLES	1	9.06009	-17.265	6.37461	CTL3	3870	3874	3875	3876	-0.27	
-3874	H12	SLES	1	8.15752	-17.4288	5.7454	HAL3	3873	0	0	0	0.09	
-3875	H12	SLES	1	9.7335	-16.552	5.84967	HAL3	3873	0	0	0	0.09	
-3876	H12	SLES	1	8.74265	-16.8089	7.3376	HAL3	3873	0	0	0	0.09	
-3877	NA	SLES	1	7.4022	-41.5435	13.0929	NA	0	0	0	0	1	
-3878	S	SLES	1	5.792	-39.4811	15.6432	SL	3879	3880	3881	3882	1.33	
-3879	OS1	SLES	1	6.29578	-38.9164	14.1483	OSL	3878	3883	0	0	-0.28	
-3880	OS2	SLES	1	4.85933	-40.5573	15.38	O2L	3878	0	0	0	-0.65	
-3881	OS3	SLES	1	6.97441	-40.003	16.296	O2L	3878	0	0	0	-0.65	
-3882	OS4	SLES	1	5.16401	-38.4766	16.4864	O2L	3878	0	0	0	-0.65	
-3883	C2	SLES	1	5.80487	-37.5267	13.9293	CC32A	3879	3884	3885	3886	-0.11	
-3884	H2A	SLES	1	4.68628	-37.4777	14.0456	HCA2	3883	0	0	0	0.09	
-3885	H2B	SLES	1	6.28068	-36.8547	14.6963	HCA2	3883	0	0	0	0.09	
-3886	C1	SLES	1	6.21667	-37.0449	12.4582	CC32A	3883	3887	3888	3889	-0.01	
-3887	H1B	SLES	1	5.82013	-37.7592	11.7004	HCA2	3886	0	0	0	0.09	
-3888	H1A	SLES	1	7.32735	-37.0059	12.3686	HCA2	3886	0	0	0	0.09	
-3889	O1	SLES	1	5.76255	-35.7348	11.9527	OC30A	3886	3890	0	0	-0.34	
-3890	C2	SLES	1	5.31157	-34.7833	12.9395	CC32A	3889	3891	3892	3893	-0.01	
-3891	H2A	SLES	1	4.45835	-35.3209	13.3976	HCA2	3890	0	0	0	0.09	
-3892	H2B	SLES	1	6.15726	-34.7696	13.6634	HCA2	3890	0	0	0	0.09	
-3893	C1	SLES	1	4.88445	-33.3195	12.6045	CC32A	3890	3894	3895	3896	-0.01	
-3894	H1B	SLES	1	3.79251	-33.2852	12.3983	HCA2	3893	0	0	0	0.09	
-3895	H1A	SLES	1	5.10232	-32.6668	13.4735	HCA2	3893	0	0	0	0.09	
-3896	O1	SLES	1	5.38443	-32.5828	11.4426	OC30A	3893	3897	0	0	-0.34	
-3897	C1	SLES	1	5.46318	-31.1209	11.618	CTL2	3896	3898	3899	3900	-0.18	
-3898	H11	SLES	1	4.93566	-30.8765	12.5578	HAL2	3897	0	0	0	0.09	
-3899	H12	SLES	1	6.55259	-30.9794	11.7744	HAL2	3897	0	0	0	0.09	
-3900	C2	SLES	1	4.95955	-30.1667	10.4638	CTL2	3897	3901	3902	3903	-0.18	
-3901	H21	SLES	1	4.55104	-30.7841	9.63272	HAL2	3900	0	0	0	0.09	
-3902	H22	SLES	1	5.82421	-29.5898	10.0688	HAL2	3900	0	0	0	0.09	
-3903	C3	SLES	1	3.82699	-29.1433	10.9621	CTL2	3900	3904	3905	3906	-0.18	
-3904	H31	SLES	1	2.83637	-29.4949	10.5969	HAL2	3903	0	0	0	0.09	
-3905	H32	SLES	1	3.80087	-29.1446	12.07	HAL2	3903	0	0	0	0.09	
-3906	C4	SLES	1	4.06504	-27.6606	10.455	CTL2	3903	3907	3908	3909	-0.18	
-3907	H41	SLES	1	3.38509	-27.459	9.60106	HAL2	3906	0	0	0	0.09	
-3908	H42	SLES	1	5.11038	-27.5629	10.0906	HAL2	3906	0	0	0	0.09	
-3909	C5	SLES	1	3.80956	-26.5733	11.594	CTL2	3906	3910	3911	3912	-0.18	
-3910	H51	SLES	1	3.20858	-27.0349	12.4084	HAL2	3909	0	0	0	0.09	
-3911	H52	SLES	1	4.78866	-26.2628	12.0251	HAL2	3909	0	0	0	0.09	
-3912	C6	SLES	1	3.05474	-25.2959	11.0649	CTL2	3909	3913	3914	3915	-0.18	
-3913	H61	SLES	1	1.99301	-25.5605	10.8605	HAL2	3912	0	0	0	0.09	
-3914	H62	SLES	1	3.06642	-24.5134	11.8593	HAL2	3912	0	0	0	0.09	
-3915	C7	SLES	1	3.6929	-24.7105	9.76554	CTL2	3912	3916	3917	3918	-0.18	
-3916	H71	SLES	1	3.33466	-25.2958	8.88989	HAL2	3915	0	0	0	0.09	
-3917	H72	SLES	1	4.79891	-24.8193	9.82232	HAL2	3915	0	0	0	0.09	
-3918	C8	SLES	1	3.34311	-23.217	9.54951	CTL2	3915	3919	3920	3921	-0.18	
-3919	H81	SLES	1	2.25148	-23.0706	9.71774	HAL2	3918	0	0	0	0.09	
-3920	H82	SLES	1	3.89223	-22.6025	10.2989	HAL2	3918	0	0	0	0.09	
-3921	C9	SLES	1	3.7065	-22.7239	8.12641	CTL2	3918	3922	3923	3924	-0.18	
-3922	H91	SLES	1	3.18014	-23.3578	7.37709	HAL2	3921	0	0	0	0.09	
-3923	H92	SLES	1	4.80206	-22.8447	7.96933	HAL2	3921	0	0	0	0.09	
-3924	C10	SLES	1	3.32326	-21.2435	7.89253	CTL2	3921	3925	3926	3927	-0.18	
-3925	H10	SLES	1	2.22363	-21.1269	8.02674	HAL2	3924	0	0	0	0.09	
-3926	H10	SLES	1	3.8318	-20.6113	8.65529	HAL2	3924	0	0	0	0.09	
-3927	C11	SLES	1	3.71652	-20.7443	6.47684	CTL2	3924	3928	3929	3930	-0.18	
-3928	H11	SLES	1	3.20006	-21.3753	5.71771	HAL2	3927	0	0	0	0.09	
-3929	H11	SLES	1	4.81386	-20.8796	6.34084	HAL2	3927	0	0	0	0.09	
-3930	C12	SLES	1	3.36023	-19.2577	6.21694	CTL3	3927	3931	3932	3933	-0.27	
-3931	H12	SLES	1	2.66701	-19.1721	5.35124	HAL3	3930	0	0	0	0.09	
-3932	H12	SLES	1	4.27992	-18.6732	5.99374	HAL3	3930	0	0	0	0.09	
-3933	H12	SLES	1	2.86764	-18.8158	7.11035	HAL3	3930	0	0	0	0.09	
-3934	NA	SLES	1	-5.61199	-41.8462	13.0184	NA	0	0	0	0	1	
-3935	S	SLES	1	-7.45377	-39.4324	15.0511	SL	3936	3937	3938	3939	1.33	
-3936	OS1	SLES	1	-6.41834	-39.0214	13.7996	OSL	3935	3940	0	0	-0.28	
-3937	OS2	SLES	1	-8.46478	-40.2964	14.4776	O2L	3935	0	0	0	-0.65	
-3938	OS3	SLES	1	-6.65693	-40.1737	16.0062	O2L	3935	0	0	0	-0.65	
-3939	OS4	SLES	1	-8.08527	-38.299	15.7077	O2L	3935	0	0	0	-0.65	
-3940	C2	SLES	1	-6.52304	-37.5655	13.5	CC32A	3936	3941	3942	3943	-0.11	
-3941	H2A	SLES	1	-7.58945	-37.2815	13.2781	HCA2	3940	0	0	0	0.09	
-3942	H2B	SLES	1	-6.17243	-36.9894	14.4008	HCA2	3940	0	0	0	0.09	
-3943	C1	SLES	1	-5.59749	-37.2158	12.2403	CC32A	3940	3944	3945	3946	-0.01	
-3944	H1B	SLES	1	-5.88586	-37.8498	11.3704	HCA2	3943	0	0	0	0.09	
-3945	H1A	SLES	1	-4.52836	-37.4116	12.4889	HCA2	3943	0	0	0	0.09	
-3946	O1	SLES	1	-5.59813	-35.8524	11.6755	OC30A	3943	3947	0	0	-0.34	
-3947	C2	SLES	1	-6.11894	-34.8042	12.5197	CC32A	3946	3948	3949	3950	-0.01	
-3948	H2A	SLES	1	-7.16206	-35.1408	12.6793	HCA2	3947	0	0	0	0.09	
-3949	H2B	SLES	1	-5.54663	-34.9499	13.4634	HCA2	3947	0	0	0	0.09	
-3950	C1	SLES	1	-6.11409	-33.2921	12.1317	CC32A	3947	3951	3952	3953	-0.01	
-3951	H1B	SLES	1	-7.06162	-33.0357	11.6097	HCA2	3950	0	0	0	0.09	
-3952	H1A	SLES	1	-6.03828	-32.6785	13.0517	HCA2	3950	0	0	0	0.09	
-3953	O1	SLES	1	-5.14696	-32.704	11.2034	OC30A	3950	3954	0	0	-0.34	
-3954	C1	SLES	1	-4.82512	-31.287	11.4533	CTL2	3953	3955	3956	3957	-0.18	
-3955	H11	SLES	1	-5.54879	-30.9154	12.2012	HAL2	3954	0	0	0	0.09	
-3956	H12	SLES	1	-3.82871	-31.3722	11.9341	HAL2	3954	0	0	0	0.09	
-3957	C2	SLES	1	-4.74994	-30.2768	10.2408	CTL2	3954	3958	3959	3960	-0.18	
-3958	H21	SLES	1	-5.00738	-30.8152	9.30126	HAL2	3957	0	0	0	0.09	
-3959	H22	SLES	1	-3.70703	-29.9027	10.1462	HAL2	3957	0	0	0	0.09	
-3960	C3	SLES	1	-5.74346	-29.0279	10.4181	CTL2	3957	3961	3962	3963	-0.18	
-3961	H31	SLES	1	-6.62836	-29.1737	9.75938	HAL2	3960	0	0	0	0.09	
-3962	H32	SLES	1	-6.10157	-28.9971	11.4665	HAL2	3960	0	0	0	0.09	
-3963	C4	SLES	1	-5.06356	-27.6401	10.0659	CTL2	3960	3964	3965	3966	-0.18	
-3964	H41	SLES	1	-5.39806	-27.3217	9.0565	HAL2	3963	0	0	0	0.09	
-3965	H42	SLES	1	-3.96046	-27.7715	10.0353	HAL2	3963	0	0	0	0.09	
-3966	C5	SLES	1	-5.42018	-26.4964	11.1192	CTL2	3963	3967	3968	3969	-0.18	
-3967	H51	SLES	1	-6.32002	-26.8027	11.697	HAL2	3966	0	0	0	0.09	
-3968	H52	SLES	1	-4.57435	-26.3867	11.8358	HAL2	3966	0	0	0	0.09	
-3969	C6	SLES	1	-5.70043	-25.1027	10.4405	CTL2	3966	3970	3971	3972	-0.18	
-3970	H61	SLES	1	-6.682	-25.1448	9.91723	HAL2	3969	0	0	0	0.09	
-3971	H62	SLES	1	-5.76741	-24.321	11.2329	HAL2	3969	0	0	0	0.09	
-3972	C7	SLES	1	-4.59446	-24.6948	9.41646	CTL2	3969	3973	3974	3975	-0.18	
-3973	H71	SLES	1	-4.78507	-25.2134	8.45083	HAL2	3972	0	0	0	0.09	
-3974	H72	SLES	1	-3.60421	-25.0306	9.79717	HAL2	3972	0	0	0	0.09	
-3975	C8	SLES	1	-4.54727	-23.1668	9.16617	CTL2	3972	3976	3977	3978	-0.18	
-3976	H81	SLES	1	-5.58413	-22.7918	9.00578	HAL2	3975	0	0	0	0.09	
-3977	H82	SLES	1	-4.13493	-22.6626	10.0697	HAL2	3975	0	0	0	0.09	
-3978	C9	SLES	1	-3.67893	-22.7948	7.93818	CTL2	3975	3979	3980	3981	-0.18	
-3979	H91	SLES	1	-4.07412	-23.3228	7.04071	HAL2	3978	0	0	0	0.09	
-3980	H92	SLES	1	-2.63648	-23.1452	8.11141	HAL2	3978	0	0	0	0.09	
-3981	C10	SLES	1	-3.66021	-21.273	7.66034	CTL2	3978	3982	3983	3984	-0.18	
-3982	H10	SLES	1	-4.70043	-20.9264	7.46392	HAL2	3981	0	0	0	0.09	
-3983	H10	SLES	1	-3.28602	-20.7428	8.56522	HAL2	3981	0	0	0	0.09	
-3984	C11	SLES	1	-2.76503	-20.9012	6.44859	CTL2	3981	3985	3986	3987	-0.18	
-3985	H11	SLES	1	-3.14744	-21.4286	5.54485	HAL2	3984	0	0	0	0.09	
-3986	H11	SLES	1	-1.73026	-21.2656	6.64186	HAL2	3984	0	0	0	0.09	
-3987	C12	SLES	1	-2.71211	-19.3796	6.15426	CTL3	3984	3988	3989	3990	-0.27	
-3988	H12	SLES	1	-3.07931	-19.1721	5.12498	HAL3	3987	0	0	0	0.09	
-3989	H12	SLES	1	-1.66813	-19.0054	6.24032	HAL3	3987	0	0	0	0.09	
-3990	H12	SLES	1	-3.34859	-18.8233	6.8764	HAL3	3987	0	0	0	0.09	
-3991	NA	SLES	1	-18.2081	-38.0521	13.1371	NA	0	0	0	0	1	
-3992	S	SLES	1	-19.9541	-35.0969	14.3895	SL	3993	3994	3995	3996	1.33	
-3993	OS1	SLES	1	-18.5473	-35.051	13.4805	OSL	3992	3997	0	0	-0.28	
-3994	OS2	SLES	1	-20.9325	-35.807	13.592	O2L	3992	0	0	0	-0.65	
-3995	OS3	SLES	1	-19.6404	-35.8607	15.5789	O2L	3992	0	0	0	-0.65	
-3996	OS4	SLES	1	-20.4732	-33.7909	14.7628	O2L	3992	0	0	0	-0.65	
-3997	C2	SLES	1	-18.2366	-33.6496	13.0806	CC32A	3993	3998	3999	4000	-0.11	
-3998	H2A	SLES	1	-19.1079	-33.1896	12.5361	HCA2	3997	0	0	0	0.09	
-3999	H2B	SLES	1	-18.0305	-33.0502	14.0103	HCA2	3997	0	0	0	0.09	
-4000	C1	SLES	1	-16.9439	-33.6426	12.1347	CC32A	3997	4001	4002	4003	-0.01	
-4001	H1B	SLES	1	-17.1134	-34.3069	11.2562	HCA2	4000	0	0	0	0.09	
-4002	H1A	SLES	1	-16.0578	-34.0141	12.7003	HCA2	4000	0	0	0	0.09	
-4003	O1	SLES	1	-16.483	-32.3836	11.5181	OC30A	4000	4004	0	0	-0.34	
-4004	C2	SLES	1	-16.9699	-31.1599	12.1081	CC32A	4003	4005	4006	4007	-0.01	
-4005	H2A	SLES	1	-18.064	-31.2626	11.9697	HCA2	4004	0	0	0	0.09	
-4006	H2B	SLES	1	-16.7298	-31.3013	13.1859	HCA2	4004	0	0	0	0.09	
-4007	C1	SLES	1	-16.5197	-29.7359	11.6532	CC32A	4004	4008	4009	4010	-0.01	
-4008	H1B	SLES	1	-17.2028	-29.3622	10.8595	HCA2	4007	0	0	0	0.09	
-4009	H1A	SLES	1	-16.5673	-29.0436	12.5175	HCA2	4007	0	0	0	0.09	
-4010	O1	SLES	1	-15.227	-29.4655	11.0219	OC30A	4007	4011	0	0	-0.34	
-4011	C1	SLES	1	-14.6791	-28.1202	11.2745	CTL2	4010	4012	4013	4014	-0.18	
-4012	H11	SLES	1	-15.4799	-27.5263	11.7512	HAL2	4011	0	0	0	0.09	
-4013	H12	SLES	1	-13.9006	-28.3419	12.0336	HAL2	4011	0	0	0	0.09	
-4014	C2	SLES	1	-14.0464	-27.2974	10.0834	CTL2	4011	4015	4016	4017	-0.18	
-4015	H21	SLES	1	-14.1463	-27.8831	9.14221	HAL2	4014	0	0	0	0.09	
-4016	H22	SLES	1	-12.9621	-27.1502	10.2815	HAL2	4014	0	0	0	0.09	
-4017	C3	SLES	1	-14.7449	-25.865	9.88589	CTL2	4014	4018	4019	4020	-0.18	
-4018	H31	SLES	1	-15.4213	-25.9115	9.00353	HAL2	4017	0	0	0	0.09	
-4019	H32	SLES	1	-15.3637	-25.6389	10.777	HAL2	4017	0	0	0	0.09	
-4020	C4	SLES	1	-13.7018	-24.6909	9.67262	CTL2	4017	4021	4022	4023	-0.18	
-4021	H41	SLES	1	-13.6629	-24.4361	8.59294	HAL2	4020	0	0	0	0.09	
-4022	H42	SLES	1	-12.692	-25.0398	9.97861	HAL2	4020	0	0	0	0.09	
-4023	C5	SLES	1	-14.0719	-23.3815	10.5052	CTL2	4020	4024	4025	4026	-0.18	
-4024	H51	SLES	1	-15.1416	-23.4329	10.8063	HAL2	4023	0	0	0	0.09	
-4025	H52	SLES	1	-13.4561	-23.3556	11.4332	HAL2	4023	0	0	0	0.09	
-4026	C6	SLES	1	-13.8339	-22.0515	9.69534	CTL2	4023	4027	4028	4029	-0.18	
-4027	H61	SLES	1	-14.6151	-21.9617	8.90747	HAL2	4026	0	0	0	0.09	
-4028	H62	SLES	1	-13.9419	-21.1827	10.386	HAL2	4026	0	0	0	0.09	
-4029	C7	SLES	1	-12.4251	-21.9952	9.02435	CTL2	4026	4030	4031	4032	-0.18	
-4030	H71	SLES	1	-12.4509	-22.578	8.07701	HAL2	4029	0	0	0	0.09	
-4031	H72	SLES	1	-11.6806	-22.4715	9.70053	HAL2	4029	0	0	0	0.09	
-4032	C8	SLES	1	-11.9701	-20.5477	8.71234	CTL2	4029	4033	4034	4035	-0.18	
-4033	H81	SLES	1	-12.8105	-19.9978	8.23008	HAL2	4032	0	0	0	0.09	
-4034	H82	SLES	1	-11.7231	-20.0301	9.66718	HAL2	4032	0	0	0	0.09	
-4035	C9	SLES	1	-10.7347	-20.5041	7.77845	CTL2	4032	4036	4037	4038	-0.18	
-4036	H91	SLES	1	-10.9726	-21.0474	6.83587	HAL2	4035	0	0	0	0.09	
-4037	H92	SLES	1	-9.88706	-21.0297	8.27321	HAL2	4035	0	0	0	0.09	
-4038	C10	SLES	1	-10.3	-19.0603	7.43209	CTL2	4035	4039	4040	4041	-0.18	
-4039	H10	SLES	1	-11.1399	-18.5415	6.91611	HAL2	4038	0	0	0	0.09	
-4040	H10	SLES	1	-10.0832	-18.5096	8.37537	HAL2	4038	0	0	0	0.09	
-4041	C11	SLES	1	-9.04404	-19.0201	6.52166	CTL2	4038	4042	4043	4044	-0.18	
-4042	H11	SLES	1	-9.2682	-19.5662	5.57686	HAL2	4041	0	0	0	0.09	
-4043	H11	SLES	1	-8.21232	-19.5555	7.03405	HAL2	4041	0	0	0	0.09	
-4044	C12	SLES	1	-8.5729	-17.5852	6.16975	CTL3	4041	4045	4046	4047	-0.27	
-4045	H12	SLES	1	-8.58379	-17.4342	5.06774	HAL3	4044	0	0	0	0.09	
-4046	H12	SLES	1	-7.53777	-17.4165	6.5404	HAL3	4044	0	0	0	0.09	
-4047	H12	SLES	1	-9.24381	-16.8319	6.63721	HAL3	4044	0	0	0	0.09	
-4048	NA	SLES	1	-29.1276	-30.4053	13.386	NA	0	0	0	0	1	
-4049	S	SLES	1	-30.3645	-26.9796	13.6788	SL	4050	4051	4052	4053	1.33	
-4050	OS1	SLES	1	-28.8191	-27.3885	13.1768	OSL	4049	4054	0	0	-0.28	
-4051	OS2	SLES	1	-31.2774	-27.6368	12.7666	O2L	4049	0	0	0	-0.65	
-4052	OS3	SLES	1	-30.5152	-27.5318	15.0089	O2L	4049	0	0	0	-0.65	
-4053	OS4	SLES	1	-30.6319	-25.5505	13.7032	O2L	4049	0	0	0	-0.65	
-4054	C2	SLES	1	-28.1056	-26.183	12.6688	CC32A	4050	4055	4056	4057	-0.11	
-4055	H2A	SLES	1	-28.6987	-25.6854	11.8516	HCA2	4054	0	0	0	0.09	
-4056	H2B	SLES	1	-27.9786	-25.458	13.52	HCA2	4054	0	0	0	0.09	
-4057	C1	SLES	1	-26.6689	-26.615	12.1073	CC32A	4054	4058	4059	4060	-0.01	
-4058	H1B	SLES	1	-26.788	-27.3989	11.3243	HCA2	4057	0	0	0	0.09	
-4059	H1A	SLES	1	-26.0457	-27.0261	12.9353	HCA2	4057	0	0	0	0.09	
-4060	O1	SLES	1	-25.7981	-25.6188	11.4536	OC30A	4057	4061	0	0	-0.34	
-4061	C2	SLES	1	-26.1031	-24.2309	11.7052	CC32A	4060	4062	4063	4064	-0.01	
-4062	H2A	SLES	1	-27.1307	-24.1489	11.3001	HCA2	4061	0	0	0	0.09	
-4063	H2B	SLES	1	-26.1517	-24.1939	12.8168	HCA2	4061	0	0	0	0.09	
-4064	C1	SLES	1	-25.24	-23.0415	11.1783	CC32A	4061	4065	4066	4067	-0.01	
-4065	H1B	SLES	1	-25.6194	-22.7134	10.1861	HCA2	4064	0	0	0	0.09	
-4066	H1A	SLES	1	-25.3163	-22.1921	11.8863	HCA2	4064	0	0	0	0.09	
-4067	O1	SLES	1	-23.812	-23.1567	10.8774	OC30A	4064	4068	0	0	-0.34	
-4068	C1	SLES	1	-23.0341	-21.9179	11.0622	CTL2	4067	4069	4070	4071	-0.18	
-4069	H11	SLES	1	-23.7587	-21.098	11.2169	HAL2	4068	0	0	0	0.09	
-4070	H12	SLES	1	-22.5209	-22.1253	12.024	HAL2	4068	0	0	0	0.09	
-4071	C2	SLES	1	-21.9743	-21.4901	9.97128	CTL2	4068	4072	4073	4074	-0.18	
-4072	H21	SLES	1	-21.9951	-22.2245	9.13523	HAL2	4071	0	0	0	0.09	
-4073	H22	SLES	1	-20.959	-21.5154	10.4242	HAL2	4071	0	0	0	0.09	
-4074	C3	SLES	1	-22.2532	-20.0212	9.38551	CTL2	4071	4075	4076	4077	-0.18	
-4075	H31	SLES	1	-22.7053	-20.1158	8.37312	HAL2	4074	0	0	0	0.09	
-4076	H32	SLES	1	-22.9855	-19.5051	10.0379	HAL2	4074	0	0	0	0.09	
-4077	C4	SLES	1	-20.9426	-19.1359	9.28247	CTL2	4074	4078	4079	4080	-0.18	
-4078	H41	SLES	1	-20.603	-19.1177	8.22582	HAL2	4077	0	0	0	0.09	
-4079	H42	SLES	1	-20.1387	-19.6016	9.89238	HAL2	4077	0	0	0	0.09	
-4080	C5	SLES	1	-21.1715	-17.6387	9.78329	CTL2	4077	4081	4082	4083	-0.18	
-4081	H51	SLES	1	-22.2627	-17.4229	9.7958	HAL2	4080	0	0	0	0.09	
-4082	H52	SLES	1	-20.7919	-17.5431	10.8262	HAL2	4080	0	0	0	0.09	
-4083	C6	SLES	1	-20.4513	-16.5712	8.87612	CTL2	4080	4084	4085	4086	-0.18	
-4084	H61	SLES	1	-20.9917	-16.4957	7.90586	HAL2	4083	0	0	0	0.09	
-4085	H62	SLES	1	-20.5042	-15.576	9.37648	HAL2	4083	0	0	0	0.09	
-4086	C7	SLES	1	-18.9551	-16.9221	8.59983	CTL2	4083	4087	4088	4089	-0.18	
-4087	H71	SLES	1	-18.9036	-17.6692	7.777	HAL2	4086	0	0	0	0.09	
-4088	H72	SLES	1	-18.5153	-17.3844	9.51154	HAL2	4086	0	0	0	0.09	
-4089	C8	SLES	1	-18.114	-15.6821	8.20686	CTL2	4086	4090	4091	4092	-0.18	
-4090	H81	SLES	1	-18.6708	-15.0913	7.44367	HAL2	4089	0	0	0	0.09	
-4091	H82	SLES	1	-17.9733	-15.0383	9.10489	HAL2	4089	0	0	0	0.09	
-4092	C9	SLES	1	-16.7256	-16.0654	7.63617	CTL2	4089	4093	4094	4095	-0.18	
-4093	H91	SLES	1	-16.8665	-16.7331	6.75604	HAL2	4092	0	0	0	0.09	
-4094	H92	SLES	1	-16.1591	-16.6316	8.40952	HAL2	4092	0	0	0	0.09	
-4095	C10	SLES	1	-15.8969	-14.832	7.20565	CTL2	4092	4096	4097	4098	-0.18	
-4096	H10	SLES	1	-16.4529	-14.2782	6.41511	HAL2	4095	0	0	0	0.09	
-4097	H10	SLES	1	-15.7743	-14.1531	8.07977	HAL2	4095	0	0	0	0.09	
-4098	C11	SLES	1	-14.4951	-15.2178	6.66324	CTL2	4095	4099	4100	4101	-0.18	
-4099	H11	SLES	1	-14.6232	-15.8913	5.78505	HAL2	4098	0	0	0	0.09	
-4100	H11	SLES	1	-13.9499	-15.7868	7.45066	HAL2	4098	0	0	0	0.09	
-4101	C12	SLES	1	-13.6328	-14.0011	6.23839	CTL3	4098	4102	4103	4104	-0.27	
-4102	H12	SLES	1	-13.3597	-14.0777	5.16278	HAL3	4101	0	0	0	0.09	
-4103	H12	SLES	1	-12.6976	-13.9614	6.83949	HAL3	4101	0	0	0	0.09	
-4104	H12	SLES	1	-14.1949	-13.0547	6.39473	HAL3	4101	0	0	0	0.09	
-4105	NA	SLES	1	-37.1872	-19.54	13.6888	NA	0	0	0	0	1	
-4106	S	SLES	1	-37.6014	-15.9867	12.9449	SL	4107	4108	4109	4110	1.33	
-4107	OS1	SLES	1	-36.1411	-16.8051	12.8725	OSL	4106	4111	0	0	-0.28	
-4108	OS2	SLES	1	-38.499	-16.6722	12.0382	O2L	4106	0	0	0	-0.65	
-4109	OS3	SLES	1	-38.0748	-16.1272	14.306	O2L	4106	0	0	0	-0.65	
-4110	OS4	SLES	1	-37.5211	-14.5784	12.5918	O2L	4106	0	0	0	-0.65	
-4111	C2	SLES	1	-35.0937	-15.939	12.2618	CC32A	4107	4112	4113	4114	-0.11	
-4112	H2A	SLES	1	-35.4233	-15.5703	11.2505	HCA2	4111	0	0	0	0.09	
-4113	H2B	SLES	1	-34.9253	-15.0534	12.9353	HCA2	4111	0	0	0	0.09	
-4114	C1	SLES	1	-33.7345	-16.7739	12.1158	CC32A	4111	4115	4116	4117	-0.01	
-4115	H1B	SLES	1	-33.9195	-17.6986	11.5221	HCA2	4114	0	0	0	0.09	
-4116	H1A	SLES	1	-33.357	-17.0638	13.1241	HCA2	4114	0	0	0	0.09	
-4117	O1	SLES	1	-32.5644	-16.1745	11.4454	OC30A	4114	4118	0	0	-0.34	
-4118	C2	SLES	1	-32.5637	-14.7377	11.3106	CC32A	4117	4119	4120	4121	-0.01	
-4119	H2A	SLES	1	-33.4704	-14.5683	10.6974	HCA2	4118	0	0	0	0.09	
-4120	H2B	SLES	1	-32.7663	-14.3991	12.3516	HCA2	4118	0	0	0	0.09	
-4121	C1	SLES	1	-31.3737	-13.9207	10.7158	CC32A	4118	4122	4123	4124	-0.01	
-4122	H1B	SLES	1	-31.5126	-13.7997	9.61939	HCA2	4121	0	0	0	0.09	
-4123	H1A	SLES	1	-31.3495	-12.9161	11.1836	HCA2	4121	0	0	0	0.09	
-4124	O1	SLES	1	-29.986	-14.3857	10.7451	OC30A	4121	4125	0	0	-0.34	
-4125	C1	SLES	1	-28.9715	-13.3171	10.8002	CTL2	4124	4126	4127	4128	-0.18	
-4126	H11	SLES	1	-29.4945	-12.3613	10.6156	HAL2	4125	0	0	0	0.09	
-4127	H12	SLES	1	-28.671	-13.3579	11.8675	HAL2	4125	0	0	0	0.09	
-4128	C2	SLES	1	-27.6906	-13.4069	9.87948	CTL2	4125	4129	4130	4131	-0.18	
-4129	H21	SLES	1	-27.7616	-14.318	9.24407	HAL2	4128	0	0	0	0.09	
-4130	H22	SLES	1	-26.7893	-13.5076	10.523	HAL2	4128	0	0	0	0.09	
-4131	C3	SLES	1	-27.5214	-12.1203	8.93376	CTL2	4128	4132	4133	4134	-0.18	
-4132	H31	SLES	1	-27.8278	-12.39	7.89855	HAL2	4131	0	0	0	0.09	
-4133	H32	SLES	1	-28.198	-11.3182	9.29039	HAL2	4131	0	0	0	0.09	
-4134	C4	SLES	1	-26.0372	-11.565	8.90234	CTL2	4131	4135	4136	4137	-0.18	
-4135	H41	SLES	1	-25.5503	-11.8933	7.96035	HAL2	4134	0	0	0	0.09	
-4136	H42	SLES	1	-25.4671	-11.9993	9.7517	HAL2	4134	0	0	0	0.09	
-4137	C5	SLES	1	-25.9744	-9.97378	8.99577	CTL2	4134	4138	4139	4140	-0.18	
-4138	H51	SLES	1	-26.9722	-9.55525	8.73743	HAL2	4137	0	0	0	0.09	
-4139	H52	SLES	1	-25.7418	-9.68098	10.0451	HAL2	4137	0	0	0	0.09	
-4140	C6	SLES	1	-24.8943	-9.34481	8.03711	CTL2	4137	4141	4142	4143	-0.18	
-4141	H61	SLES	1	-25.2511	-9.42568	6.98582	HAL2	4140	0	0	0	0.09	
-4142	H62	SLES	1	-24.7821	-8.26204	8.27896	HAL2	4140	0	0	0	0.09	
-4143	C7	SLES	1	-23.5008	-10.0393	8.15682	CTL2	4140	4144	4145	4146	-0.18	
-4144	H71	SLES	1	-23.5075	-10.9727	7.5515	HAL2	4143	0	0	0	0.09	
-4145	H72	SLES	1	-23.3241	-10.3199	9.21905	HAL2	4143	0	0	0	0.09	
-4146	C8	SLES	1	-22.3398	-9.1347	7.67385	CTL2	4143	4147	4148	4149	-0.18	
-4147	H81	SLES	1	-22.6203	-8.67077	6.70045	HAL2	4146	0	0	0	0.09	
-4148	H82	SLES	1	-22.1845	-8.31617	8.41311	HAL2	4146	0	0	0	0.09	
-4149	C9	SLES	1	-21.0139	-9.91678	7.49841	CTL2	4146	4150	4151	4152	-0.18	
-4150	H91	SLES	1	-21.1779	-10.7532	6.78155	HAL2	4149	0	0	0	0.09	
-4151	H92	SLES	1	-20.7198	-10.3567	8.47794	HAL2	4149	0	0	0	0.09	
-4152	C10	SLES	1	-19.8608	-9.02602	6.97864	CTL2	4149	4153	4154	4155	-0.18	
-4153	H10	SLES	1	-20.1453	-8.60437	5.98766	HAL2	4152	0	0	0	0.09	
-4154	H10	SLES	1	-19.711	-8.17706	7.68351	HAL2	4152	0	0	0	0.09	
-4155	C11	SLES	1	-18.5269	-9.80553	6.83343	CTL2	4152	4156	4157	4158	-0.18	
-4156	H11	SLES	1	-18.6801	-10.6493	6.12232	HAL2	4155	0	0	0	0.09	
-4157	H11	SLES	1	-18.2559	-10.2402	7.82265	HAL2	4155	0	0	0	0.09	
-4158	C12	SLES	1	-17.3463	-8.93555	6.32964	CTL3	4155	4159	4160	4161	-0.27	
-4159	H12	SLES	1	-16.943	-9.34539	5.37742	HAL3	4158	0	0	0	0.09	
-4160	H12	SLES	1	-16.5284	-8.92007	7.08342	HAL3	4158	0	0	0	0.09	
-4161	H12	SLES	1	-17.6835	-7.89124	6.15123	HAL3	4158	0	0	0	0.09	
-4162	NA	SLES	1	-41.4141	-6.47847	13.9638	NA	0	0	0	0	1	
-4163	S	SLES	1	-40.9497	-3.30384	12.2155	SL	4164	4165	4166	4167	1.33	
-4164	OS1	SLES	1	-39.7176	-4.38843	12.5518	OSL	4163	4168	0	0	-0.28	
-4165	OS2	SLES	1	-41.9297	-4.02874	11.4335	O2L	4163	0	0	0	-0.65	
-4166	OS3	SLES	1	-41.5182	-2.93103	13.4939	O2L	4163	0	0	0	-0.65	
-4167	OS4	SLES	1	-40.525	-2.11321	11.4969	O2L	4163	0	0	0	-0.65	
-4168	C2	SLES	1	-38.4652	-3.97882	11.8561	CC32A	4164	4169	4170	4171	-0.11	
-4169	H2A	SLES	1	-38.643	-3.86939	10.7499	HCA2	4168	0	0	0	0.09	
-4170	H2B	SLES	1	-38.1338	-2.98703	12.2717	HCA2	4168	0	0	0	0.09	
-4171	C1	SLES	1	-37.331	-5.07999	12.1146	CC32A	4168	4172	4173	4174	-0.01	
-4172	H1B	SLES	1	-37.6921	-6.081	11.7839	HCA2	4171	0	0	0	0.09	
-4173	H1A	SLES	1	-37.0882	-5.1268	13.2018	HCA2	4171	0	0	0	0.09	
-4174	O1	SLES	1	-36.0181	-4.96206	11.4511	OC30A	4171	4175	0	0	-0.34	
-4175	C2	SLES	1	-35.6762	-3.66339	10.9227	CC32A	4174	4176	4177	4178	-0.01	
-4176	H2A	SLES	1	-36.4831	-3.50225	10.1812	HCA2	4175	0	0	0	0.09	
-4177	H2B	SLES	1	-35.8527	-2.9954	11.7957	HCA2	4175	0	0	0	0.09	
-4178	C1	SLES	1	-34.2977	-3.3242	10.2732	CC32A	4175	4179	4180	4181	-0.01	
-4179	H1B	SLES	1	-34.3431	-3.51026	9.17806	HCA2	4178	0	0	0	0.09	
-4180	H1A	SLES	1	-34.0672	-2.25325	10.4422	HCA2	4178	0	0	0	0.09	
-4181	O1	SLES	1	-33.0597	-4.03414	10.5991	OC30A	4178	4182	0	0	-0.34	
-4182	C1	SLES	1	-31.8296	-3.23041	10.4774	CTL2	4181	4183	4184	4185	-0.18	
-4183	H11	SLES	1	-32.1052	-2.28716	9.97196	HAL2	4182	0	0	0	0.09	
-4184	H12	SLES	1	-31.607	-3.01157	11.5422	HAL2	4182	0	0	0	0.09	
-4185	C2	SLES	1	-30.5551	-3.85232	9.78084	CTL2	4182	4186	4187	4188	-0.18	
-4186	H21	SLES	1	-30.8	-4.87652	9.42047	HAL2	4185	0	0	0	0.09	
-4187	H22	SLES	1	-29.7393	-3.93939	10.5315	HAL2	4185	0	0	0	0.09	
-4188	C3	SLES	1	-30.0392	-2.97032	8.54218	CTL2	4185	4189	4190	4191	-0.18	
-4189	H31	SLES	1	-30.3413	-3.46775	7.59374	HAL2	4188	0	0	0	0.09	
-4190	H32	SLES	1	-30.5299	-1.97724	8.57647	HAL2	4188	0	0	0	0.09	
-4191	C4	SLES	1	-28.4672	-2.76738	8.53799	CTL2	4188	4192	4193	4194	-0.18	
-4192	H41	SLES	1	-28.0179	-3.4546	7.79103	HAL2	4191	0	0	0	0.09	
-4193	H42	SLES	1	-28.0619	-3.03572	9.53737	HAL2	4191	0	0	0	0.09	
-4194	C5	SLES	1	-28.0421	-1.26936	8.19163	CTL2	4191	4195	4196	4197	-0.18	
-4195	H51	SLES	1	-28.8993	-0.751276	7.70775	HAL2	4194	0	0	0	0.09	
-4196	H52	SLES	1	-27.807	-0.731022	9.13813	HAL2	4194	0	0	0	0.09	
-4197	C6	SLES	1	-26.7935	-1.19146	7.2344	CTL2	4194	4198	4199	4200	-0.18	
-4198	H61	SLES	1	-27.0999	-1.50732	6.21194	HAL2	4197	0	0	0	0.09	
-4199	H62	SLES	1	-26.4467	-0.133193	7.17702	HAL2	4197	0	0	0	0.09	
-4200	C7	SLES	1	-25.6083	-2.08944	7.71108	CTL2	4197	4201	4202	4203	-0.18	
-4201	H71	SLES	1	-25.7976	-3.13873	7.39341	HAL2	4200	0	0	0	0.09	
-4202	H72	SLES	1	-25.5613	-2.07022	8.82273	HAL2	4200	0	0	0	0.09	
-4203	C8	SLES	1	-24.2438	-1.62929	7.14016	CTL2	4200	4204	4205	4206	-0.18	
-4204	H81	SLES	1	-24.3539	-1.42986	6.04952	HAL2	4203	0	0	0	0.09	
-4205	H82	SLES	1	-23.9443	-0.677657	7.63549	HAL2	4203	0	0	0	0.09	
-4206	C9	SLES	1	-23.128	-2.68316	7.35183	CTL2	4203	4207	4208	4209	-0.18	
-4207	H91	SLES	1	-23.4412	-3.64299	6.88177	HAL2	4206	0	0	0	0.09	
-4208	H92	SLES	1	-22.9994	-2.8612	8.44328	HAL2	4206	0	0	0	0.09	
-4209	C10	SLES	1	-21.7723	-2.24526	6.74873	CTL2	4206	4210	4211	4212	-0.18	
-4210	H10	SLES	1	-21.8952	-2.08964	5.65262	HAL2	4209	0	0	0	0.09	
-4211	H10	SLES	1	-21.4692	-1.27439	7.20215	HAL2	4209	0	0	0	0.09	
-4212	C11	SLES	1	-20.6499	-3.28935	6.98945	CTL2	4209	4213	4214	4215	-0.18	
-4213	H11	SLES	1	-20.9547	-4.25655	6.52823	HAL2	4212	0	0	0	0.09	
-4214	H11	SLES	1	-20.5431	-3.45486	8.08587	HAL2	4212	0	0	0	0.09	
-4215	C12	SLES	1	-19.2732	-2.87169	6.41071	CTL3	4212	4216	4217	4218	-0.27	
-4216	H12	SLES	1	-18.9234	-3.62085	5.66657	HAL3	4215	0	0	0	0.09	
-4217	H12	SLES	1	-18.5176	-2.80038	7.22393	HAL3	4215	0	0	0	0.09	
-4218	H12	SLES	1	-19.3482	-1.88234	5.90903	HAL3	4215	0	0	0	0.09	
-4219	NA	SLES	1	-41.196	7.43264	14.1324	NA	0	0	0	0	1	
-4220	S	SLES	1	-40.1169	9.74581	11.518	SL	4221	4222	4223	4224	1.33	
-4221	OS1	SLES	1	-39.1414	8.56686	12.2005	OSL	4220	4225	0	0	-0.28	
-4222	OS2	SLES	1	-41.2648	9.05666	10.9658	O2L	4220	0	0	0	-0.65	
-4223	OS3	SLES	1	-40.5347	10.6033	12.6074	O2L	4220	0	0	0	-0.65	
-4224	OS4	SLES	1	-39.4707	10.5385	10.4843	O2L	4220	0	0	0	-0.65	
-4225	C2	SLES	1	-37.86	8.45785	11.448	CC32A	4221	4226	4227	4228	-0.11	
-4226	H2A	SLES	1	-38.0558	8.26576	10.3562	HCA2	4225	0	0	0	0.09	
-4227	H2B	SLES	1	-37.3007	9.42866	11.5525	HCA2	4225	0	0	0	0.09	
-4228	C1	SLES	1	-36.9868	7.26193	12.0588	CC32A	4225	4229	4230	4231	-0.01	
-4229	H1B	SLES	1	-37.5735	6.31476	12.0371	HCA2	4228	0	0	0	0.09	
-4230	H1A	SLES	1	-36.7147	7.49188	13.1153	HCA2	4228	0	0	0	0.09	
-4231	O1	SLES	1	-35.7094	6.87872	11.427	OC30A	4228	4232	0	0	-0.34	
-4232	C2	SLES	1	-35.112	7.84739	10.5396	CC32A	4231	4233	4234	4235	-0.01	
-4233	H2A	SLES	1	-35.894	7.9533	9.76229	HCA2	4232	0	0	0	0.09	
-4234	H2B	SLES	1	-35.0998	8.76898	11.164	HCA2	4232	0	0	0	0.09	
-4235	C1	SLES	1	-33.7213	7.65888	9.85575	CC32A	4232	4236	4237	4238	-0.01	
-4236	H1B	SLES	1	-33.8528	7.16662	8.8676	HCA2	4235	0	0	0	0.09	
-4237	H1A	SLES	1	-33.2533	8.65129	9.69861	HCA2	4235	0	0	0	0.09	
-4238	O1	SLES	1	-32.6579	6.82284	10.4151	OC30A	4235	4239	0	0	-0.34	
-4239	C1	SLES	1	-31.287	7.25709	10.0893	CTL2	4238	4240	4241	4242	-0.18	
-4240	H11	SLES	1	-31.3688	8.04081	9.31457	HAL2	4239	0	0	0	0.09	
-4241	H12	SLES	1	-30.9769	7.7311	11.0435	HAL2	4239	0	0	0	0.09	
-4242	C2	SLES	1	-30.2117	6.18656	9.64901	CTL2	4239	4243	4244	4245	-0.18	
-4243	H21	SLES	1	-30.6914	5.18303	9.60927	HAL2	4242	0	0	0	0.09	
-4244	H22	SLES	1	-29.4042	6.15005	10.4128	HAL2	4242	0	0	0	0.09	
-4245	C3	SLES	1	-29.5665	6.51614	8.21596	CTL2	4242	4246	4247	4248	-0.18	
-4246	H31	SLES	1	-30.0108	5.83665	7.45487	HAL2	4245	0	0	0	0.09	
-4247	H32	SLES	1	-29.8242	7.5566	7.93439	HAL2	4245	0	0	0	0.09	
-4248	C4	SLES	1	-27.9902	6.35258	8.19347	CTL2	4245	4249	4250	4251	-0.18	
-4249	H41	SLES	1	-27.7354	5.39027	7.70237	HAL2	4248	0	0	0	0.09	
-4250	H42	SLES	1	-27.6123	6.31447	9.23788	HAL2	4248	0	0	0	0.09	
-4251	C5	SLES	1	-27.26	7.54233	7.42136	CTL2	4248	4252	4253	4254	-0.18	
-4252	H51	SLES	1	-28.0015	8.06804	6.78004	HAL2	4251	0	0	0	0.09	
-4253	H52	SLES	1	-26.8722	8.27413	8.16638	HAL2	4251	0	0	0	0.09	
-4254	C6	SLES	1	-26.0665	7.04786	6.52003	CTL2	4251	4255	4256	4257	-0.18	
-4255	H61	SLES	1	-26.4779	6.51535	5.63331	HAL2	4254	0	0	0	0.09	
-4256	H62	SLES	1	-25.4976	7.93441	6.15427	HAL2	4254	0	0	0	0.09	
-4257	C7	SLES	1	-25.0896	6.09467	7.27855	CTL2	4254	4258	4259	4260	-0.18	
-4258	H71	SLES	1	-25.5189	5.06836	7.2886	HAL2	4257	0	0	0	0.09	
-4259	H72	SLES	1	-24.9927	6.43686	8.33299	HAL2	4257	0	0	0	0.09	
-4260	C8	SLES	1	-23.6825	6.04511	6.63259	CTL2	4257	4261	4262	4263	-0.18	
-4261	H81	SLES	1	-23.7919	5.92605	5.5302	HAL2	4260	0	0	0	0.09	
-4262	H82	SLES	1	-23.1599	7.00984	6.82437	HAL2	4260	0	0	0	0.09	
-4263	C9	SLES	1	-22.8189	4.88305	7.18397	CTL2	4260	4264	4265	4266	-0.18	
-4264	H91	SLES	1	-23.3557	3.9214	7.01838	HAL2	4263	0	0	0	0.09	
-4265	H92	SLES	1	-22.6868	5.01807	8.28116	HAL2	4263	0	0	0	0.09	
-4266	C10	SLES	1	-21.4266	4.80514	6.51387	CTL2	4263	4267	4268	4269	-0.18	
-4267	H10	SLES	1	-21.5583	4.64665	5.41919	HAL2	4266	0	0	0	0.09	
-4268	H10	SLES	1	-20.898	5.77426	6.66	HAL2	4266	0	0	0	0.09	
-4269	C11	SLES	1	-20.5531	3.65939	7.09015	CTL2	4266	4270	4271	4272	-0.18	
-4270	H11	SLES	1	-21.0829	2.69171	6.93543	HAL2	4269	0	0	0	0.09	
-4271	H11	SLES	1	-20.4393	3.8124	8.18768	HAL2	4269	0	0	0	0.09	
-4272	C12	SLES	1	-19.1439	3.56538	6.44995	CTL3	4269	4273	4274	4275	-0.27	
-4273	H12	SLES	1	-18.9997	2.56869	5.97756	HAL3	4272	0	0	0	0.09	
-4274	H12	SLES	1	-18.3575	3.70799	7.2237	HAL3	4272	0	0	0	0.09	
-4275	H12	SLES	1	-19.0199	4.34825	5.67028	HAL3	4272	0	0	0	0.09	
-4276	NA	SLES	1	-36.4107	20.6582	14.1273	NA	0	0	0	0	1	
-4277	S	SLES	1	-35.2369	21.8423	10.8761	SL	4278	4279	4280	4281	1.33	
-4278	OS1	SLES	1	-34.4464	20.6958	11.8078	OSL	4277	4282	0	0	-0.28	
-4279	OS2	SLES	1	-36.5678	21.3251	10.6344	O2L	4277	0	0	0	-0.65	
-4280	OS3	SLES	1	-35.3136	23.0383	11.6886	O2L	4277	0	0	0	-0.65	
-4281	OS4	SLES	1	-34.5856	22.1443	9.61152	O2L	4277	0	0	0	-0.65	
-4282	C2	SLES	1	-33.3308	20.0818	11.034	CC32A	4278	4283	4284	4285	-0.11	
-4283	H2A	SLES	1	-33.7091	19.6523	10.0647	HCA2	4282	0	0	0	0.09	
-4284	H2B	SLES	1	-32.5716	20.8807	10.8068	HCA2	4282	0	0	0	0.09	
-4285	C1	SLES	1	-32.6528	18.9244	11.9096	CC32A	4282	4286	4287	4288	-0.01	
-4286	H1B	SLES	1	-33.4222	18.1767	12.2106	HCA2	4285	0	0	0	0.09	
-4287	H1A	SLES	1	-32.1974	19.3613	12.8288	HCA2	4285	0	0	0	0.09	
-4288	O1	SLES	1	-31.5821	18.0888	11.3324	OC30A	4285	4289	0	0	-0.34	
-4289	C2	SLES	1	-30.9214	18.6063	10.1583	CC32A	4288	4290	4291	4292	-0.01	
-4290	H2A	SLES	1	-31.7621	18.6807	9.44105	HCA2	4289	0	0	0	0.09	
-4291	H2B	SLES	1	-30.6316	19.6322	10.479	HCA2	4289	0	0	0	0.09	
-4292	C1	SLES	1	-29.7073	17.9107	9.46602	CC32A	4289	4293	4294	4295	-0.01	
-4293	H1B	SLES	1	-30.0721	17.2143	8.6799	HCA2	4292	0	0	0	0.09	
-4294	H1A	SLES	1	-29.0676	18.6803	8.98952	HCA2	4292	0	0	0	0.09	
-4295	O1	SLES	1	-28.7766	17.029	10.1726	OC30A	4292	4296	0	0	-0.34	
-4296	C1	SLES	1	-27.4025	17.016	9.63805	CTL2	4295	4297	4298	4299	-0.18	
-4297	H11	SLES	1	-27.4229	17.5548	8.67344	HAL2	4296	0	0	0	0.09	
-4298	H12	SLES	1	-26.8732	17.6433	10.3848	HAL2	4296	0	0	0	0.09	
-4299	C2	SLES	1	-26.6455	15.6406	9.46111	CTL2	4296	4300	4301	4302	-0.18	
-4300	H21	SLES	1	-27.3256	14.8098	9.75419	HAL2	4299	0	0	0	0.09	
-4301	H22	SLES	1	-25.7674	15.621	10.1432	HAL2	4299	0	0	0	0.09	
-4302	C3	SLES	1	-26.1467	15.4025	7.95348	CTL2	4299	4303	4304	4305	-0.18	
-4303	H31	SLES	1	-26.8227	14.6685	7.46093	HAL2	4302	0	0	0	0.09	
-4304	H32	SLES	1	-26.2165	16.3571	7.39477	HAL2	4302	0	0	0	0.09	
-4305	C4	SLES	1	-24.6576	14.8658	7.87074	CTL2	4302	4306	4307	4308	-0.18	
-4306	H41	SLES	1	-24.6793	13.7742	7.67051	HAL2	4305	0	0	0	0.09	
-4307	H42	SLES	1	-24.1576	15.0242	8.85051	HAL2	4305	0	0	0	0.09	
-4308	C5	SLES	1	-23.8063	15.5889	6.73172	CTL2	4305	4309	4310	4311	-0.18	
-4309	H51	SLES	1	-24.5014	16.0819	6.01666	HAL2	4308	0	0	0	0.09	
-4310	H52	SLES	1	-23.1762	16.3807	7.19739	HAL2	4308	0	0	0	0.09	
-4311	C6	SLES	1	-22.8769	14.5963	5.93666	CTL2	4308	4312	4313	4314	-0.18	
-4312	H61	SLES	1	-23.5074	13.9572	5.27859	HAL2	4311	0	0	0	0.09	
-4313	H62	SLES	1	-22.19	15.1862	5.28581	HAL2	4311	0	0	0	0.09	
-4314	C7	SLES	1	-22.0274	13.6804	6.87368	CTL2	4311	4315	4316	4317	-0.18	
-4315	H71	SLES	1	-22.6568	12.8299	7.21744	HAL2	4314	0	0	0	0.09	
-4316	H72	SLES	1	-21.7185	14.2634	7.76984	HAL2	4314	0	0	0	0.09	
-4317	C8	SLES	1	-20.7632	13.1207	6.17509	CTL2	4314	4318	4319	4320	-0.18	
-4318	H81	SLES	1	-21.044	12.7357	5.16797	HAL2	4317	0	0	0	0.09	
-4319	H82	SLES	1	-20.029	13.9466	6.03534	HAL2	4317	0	0	0	0.09	
-4320	C9	SLES	1	-20.0954	11.981	6.98463	CTL2	4317	4321	4322	4323	-0.18	
-4321	H91	SLES	1	-20.8392	11.1686	7.14938	HAL2	4320	0	0	0	0.09	
-4322	H92	SLES	1	-19.7899	12.3741	7.98047	HAL2	4320	0	0	0	0.09	
-4323	C10	SLES	1	-18.8548	11.3919	6.27247	CTL2	4320	4324	4325	4326	-0.18	
-4324	H10	SLES	1	-19.1643	10.9775	5.28594	HAL2	4323	0	0	0	0.09	
-4325	H10	SLES	1	-18.1199	12.2079	6.08752	HAL2	4323	0	0	0	0.09	
-4326	C11	SLES	1	-18.1705	10.2718	7.1002	CTL2	4323	4327	4328	4329	-0.18	
-4327	H11	SLES	1	-18.9074	9.45505	7.27662	HAL2	4326	0	0	0	0.09	
-4328	H11	SLES	1	-17.879	10.6861	8.0923	HAL2	4326	0	0	0	0.09	
-4329	C12	SLES	1	-16.9128	9.67171	6.42011	CTL3	4326	4330	4331	4332	-0.27	
-4330	H12	SLES	1	-17.0462	8.5797	6.2556	HAL3	4329	0	0	0	0.09	
-4331	H12	SLES	1	-16.0162	9.82679	7.06006	HAL3	4329	0	0	0	0.09	
-4332	H12	SLES	1	-16.7347	10.159	5.43675	HAL3	4329	0	0	0	0.09	
-4333	NA	SLES	1	-27.4931	31.6705	13.8991	NA	0	0	0	0	1	
-4334	S	SLES	1	-26.8318	31.7934	10.3078	SL	4335	4336	4337	4338	1.33	
-4335	OS1	SLES	1	-26.1104	30.7138	11.3668	OSL	4334	4339	0	0	-0.28	
-4336	OS2	SLES	1	-28.2605	31.5869	10.4244	O2L	4334	0	0	0	-0.65	
-4337	OS3	SLES	1	-26.4852	33.1164	10.7831	O2L	4334	0	0	0	-0.65	
-4338	OS4	SLES	1	-26.4211	31.6427	8.92101	O2L	4334	0	0	0	-0.65	
-4339	C2	SLES	1	-25.3377	29.6879	10.6113	CC32A	4335	4340	4341	4342	-0.11	
-4340	H2A	SLES	1	-25.9959	29.1686	9.86016	HCA2	4339	0	0	0	0.09	
-4341	H2B	SLES	1	-24.4986	30.2025	10.0662	HCA2	4339	0	0	0	0.09	
-4342	C1	SLES	1	-24.738	28.6142	11.6377	CC32A	4339	4343	4344	4345	-0.01	
-4343	H1B	SLES	1	-25.5606	28.1663	12.2414	HCA2	4342	0	0	0	0.09	
-4344	H1A	SLES	1	-24.0155	29.1103	12.3269	HCA2	4342	0	0	0	0.09	
-4345	O1	SLES	1	-24.0111	27.4327	11.1341	OC30A	4342	4346	0	0	-0.34	
-4346	C2	SLES	1	-23.5279	27.5025	9.77613	CC32A	4345	4347	4348	4349	-0.01	
-4347	H2A	SLES	1	-24.4701	27.6291	9.20783	HCA2	4346	0	0	0	0.09	
-4348	H2B	SLES	1	-22.9722	28.4671	9.76873	HCA2	4346	0	0	0	0.09	
-4349	C1	SLES	1	-22.6602	26.3924	9.10368	CC32A	4346	4350	4351	4352	-0.01	
-4350	H1B	SLES	1	-23.3206	25.6573	8.59415	HCA2	4349	0	0	0	0.09	
-4351	H1A	SLES	1	-21.9949	26.8557	8.34783	HCA2	4349	0	0	0	0.09	
-4352	O1	SLES	1	-21.7994	25.4791	9.85713	OC30A	4349	4353	0	0	-0.34	
-4353	C1	SLES	1	-20.6054	25.0072	9.13209	CTL2	4352	4354	4355	4356	-0.18	
-4354	H11	SLES	1	-20.7229	25.313	8.0767	HAL2	4353	0	0	0	0.09	
-4355	H12	SLES	1	-19.8106	25.6273	9.5958	HAL2	4353	0	0	0	0.09	
-4356	C2	SLES	1	-20.2019	23.4811	9.20007	CTL2	4353	4357	4358	4359	-0.18	
-4357	H21	SLES	1	-20.958	22.9307	9.8036	HAL2	4356	0	0	0	0.09	
-4358	H22	SLES	1	-19.2204	23.3894	9.71459	HAL2	4356	0	0	0	0.09	
-4359	C3	SLES	1	-20.0997	22.8065	7.74648	CTL2	4356	4360	4361	4362	-0.18	
-4360	H31	SLES	1	-21.0015	22.1773	7.57597	HAL2	4359	0	0	0	0.09	
-4361	H32	SLES	1	-20.0918	23.6046	6.97753	HAL2	4359	0	0	0	0.09	
-4362	C4	SLES	1	-18.8055	21.9088	7.56943	CTL2	4359	4363	4364	4365	-0.18	
-4363	H41	SLES	1	-19.0926	20.8409	7.6658	HAL2	4362	0	0	0	0.09	
-4364	H42	SLES	1	-18.0843	22.144	8.38159	HAL2	4362	0	0	0	0.09	
-4365	C5	SLES	1	-18.0907	22.1324	6.16094	CTL2	4362	4366	4367	4368	-0.18	
-4366	H51	SLES	1	-18.8078	22.6179	5.4628	HAL2	4365	0	0	0	0.09	
-4367	H52	SLES	1	-17.2266	22.822	6.29813	HAL2	4365	0	0	0	0.09	
-4368	C6	SLES	1	-17.5777	20.7912	5.51326	CTL2	4365	4369	4370	4371	-0.18	
-4369	H61	SLES	1	-18.4524	20.2044	5.1532	HAL2	4368	0	0	0	0.09	
-4370	H62	SLES	1	-16.9417	21.0355	4.6305	HAL2	4368	0	0	0	0.09	
-4371	C7	SLES	1	-16.7517	19.9157	6.50802	CTL2	4368	4372	4373	4374	-0.18	
-4372	H71	SLES	1	-17.4523	19.3449	7.15683	HAL2	4371	0	0	0	0.09	
-4373	H72	SLES	1	-16.1442	20.5814	7.16075	HAL2	4371	0	0	0	0.09	
-4374	C8	SLES	1	-15.8098	18.92	5.78632	CTL2	4371	4375	4376	4377	-0.18	
-4375	H81	SLES	1	-16.3739	18.41	4.97201	HAL2	4374	0	0	0	0.09	
-4376	H82	SLES	1	-14.9701	19.4851	5.32149	HAL2	4374	0	0	0	0.09	
-4377	C9	SLES	1	-15.2305	17.8513	6.74681	CTL2	4374	4378	4379	4380	-0.18	
-4378	H91	SLES	1	-16.0712	17.3065	7.23349	HAL2	4377	0	0	0	0.09	
-4379	H92	SLES	1	-14.6436	18.3602	7.54436	HAL2	4377	0	0	0	0.09	
-4380	C10	SLES	1	-14.32	16.8307	6.02361	CTL2	4377	4381	4382	4383	-0.18	
-4381	H10	SLES	1	-14.9132	16.3048	5.24112	HAL2	4380	0	0	0	0.09	
-4382	H10	SLES	1	-13.4915	17.3768	5.51818	HAL2	4380	0	0	0	0.09	
-4383	C11	SLES	1	-13.7171	15.7803	6.99371	CTL2	4380	4384	4385	4386	-0.18	
-4384	H11	SLES	1	-14.5496	15.2323	7.49152	HAL2	4383	0	0	0	0.09	
-4385	H11	SLES	1	-13.14	16.312	7.7844	HAL2	4383	0	0	0	0.09	
-4386	C12	SLES	1	-12.7856	14.7521	6.30115	CTL3	4383	4387	4388	4389	-0.27	
-4387	H12	SLES	1	-13.1718	13.7195	6.44948	HAL3	4386	0	0	0	0.09	
-4388	H12	SLES	1	-11.7598	14.8115	6.72724	HAL3	4386	0	0	0	0.09	
-4389	H12	SLES	1	-12.7282	14.9555	5.20961	HAL3	4386	0	0	0	0.09	
-4390	NA	SLES	1	-15.4116	39.1717	13.4217	NA	0	0	0	0	1	
-4391	S	SLES	1	-15.7464	38.6338	9.82323	SL	4392	4393	4394	4395	1.33	
-4392	OS1	SLES	1	-15.0048	37.5615	10.8758	OSL	4391	4396	0	0	-0.28	
-4393	OS2	SLES	1	-17.0992	38.8125	10.3084	O2L	4391	0	0	0	-0.65	
-4394	OS3	SLES	1	-15.015	39.8784	9.93472	O2L	4391	0	0	0	-0.65	
-4395	OS4	SLES	1	-15.7712	38.197	8.43648	O2L	4391	0	0	0	-0.65	
-4396	C2	SLES	1	-14.6997	36.2809	10.1779	CC32A	4392	4397	4398	4399	-0.11	
-4397	H2A	SLES	1	-15.6314	35.8473	9.71831	HCA2	4396	0	0	0	0.09	
-4398	H2B	SLES	1	-13.9533	36.4879	9.36164	HCA2	4396	0	0	0	0.09	
-4399	C1	SLES	1	-14.0801	35.2405	11.2264	CC32A	4396	4400	4401	4402	-0.01	
-4400	H1B	SLES	1	-14.781	35.1012	12.0815	HCA2	4399	0	0	0	0.09	
-4401	H1A	SLES	1	-13.1098	35.6272	11.6166	HCA2	4399	0	0	0	0.09	
-4402	O1	SLES	1	-13.7816	33.8566	10.8097	OC30A	4399	4403	0	0	-0.34	
-4403	C2	SLES	1	-13.6843	33.6167	9.39002	CC32A	4402	4404	4405	4406	-0.01	
-4404	H2A	SLES	1	-14.6981	33.8986	9.04388	HCA2	4403	0	0	0	0.09	
-4405	H2B	SLES	1	-12.9633	34.3996	9.0635	HCA2	4403	0	0	0	0.09	
-4406	C1	SLES	1	-13.2849	32.2428	8.76556	CC32A	4403	4407	4408	4409	-0.01	
-4407	H1B	SLES	1	-14.1976	31.6359	8.5791	HCA2	4406	0	0	0	0.09	
-4408	H1A	SLES	1	-12.7701	32.4158	7.79935	HCA2	4406	0	0	0	0.09	
-4409	O1	SLES	1	-12.4612	31.2531	9.46181	OC30A	4406	4410	0	0	-0.34	
-4410	C1	SLES	1	-11.6366	30.4009	8.58556	CTL2	4409	4411	4412	4413	-0.18	
-4411	H11	SLES	1	-11.9716	30.5799	7.5478	HAL2	4410	0	0	0	0.09	
-4412	H12	SLES	1	-10.6342	30.8574	8.71962	HAL2	4410	0	0	0	0.09	
-4413	C2	SLES	1	-11.5575	28.8463	8.85636	CTL2	4410	4414	4415	4416	-0.18	
-4414	H21	SLES	1	-12.2174	28.592	9.71584	HAL2	4413	0	0	0	0.09	
-4415	H22	SLES	1	-10.5144	28.5806	9.13527	HAL2	4413	0	0	0	0.09	
-4416	C3	SLES	1	-11.9995	27.9765	7.58101	CTL2	4413	4417	4418	4419	-0.18	
-4417	H31	SLES	1	-13.0242	27.5781	7.75292	HAL2	4416	0	0	0	0.09	
-4418	H32	SLES	1	-12.0357	28.6344	6.68991	HAL2	4416	0	0	0	0.09	
-4419	C4	SLES	1	-11.0198	26.7657	7.28696	CTL2	4416	4420	4421	4422	-0.18	
-4420	H41	SLES	1	-11.4859	25.8282	7.65585	HAL2	4419	0	0	0	0.09	
-4421	H42	SLES	1	-10.0716	26.9194	7.84575	HAL2	4419	0	0	0	0.09	
-4422	C5	SLES	1	-10.6869	26.6078	5.73488	CTL2	4419	4423	4424	4425	-0.18	
-4423	H51	SLES	1	-11.4498	27.1589	5.14193	HAL2	4422	0	0	0	0.09	
-4424	H52	SLES	1	-9.69415	27.069	5.52817	HAL2	4422	0	0	0	0.09	
-4425	C6	SLES	1	-10.662	25.1053	5.26225	CTL2	4422	4426	4427	4428	-0.18	
-4426	H61	SLES	1	-11.7041	24.715	5.23898	HAL2	4425	0	0	0	0.09	
-4427	H62	SLES	1	-10.255	25.0587	4.22511	HAL2	4425	0	0	0	0.09	
-4428	C7	SLES	1	-9.79713	24.1934	6.18898	CTL2	4425	4429	4430	4431	-0.18	
-4429	H71	SLES	1	-10.3969	23.9117	7.08267	HAL2	4428	0	0	0	0.09	
-4430	H72	SLES	1	-8.90937	24.7666	6.53778	HAL2	4428	0	0	0	0.09	
-4431	C8	SLES	1	-9.3176	22.9036	5.47779	CTL2	4428	4432	4433	4434	-0.18	
-4432	H81	SLES	1	-10.1762	22.4466	4.93436	HAL2	4431	0	0	0	0.09	
-4433	H82	SLES	1	-8.53817	23.1698	4.72796	HAL2	4431	0	0	0	0.09	
-4434	C9	SLES	1	-8.73408	21.8642	6.46749	CTL2	4431	4435	4436	4437	-0.18	
-4435	H91	SLES	1	-9.50417	21.6208	7.23433	HAL2	4434	0	0	0	0.09	
-4436	H92	SLES	1	-7.85886	22.3121	6.98986	HAL2	4434	0	0	0	0.09	
-4437	C10	SLES	1	-8.28969	20.5583	5.76709	CTL2	4434	4438	4439	4440	-0.18	
-4438	H10	SLES	1	-9.17027	20.0977	5.26388	HAL2	4437	0	0	0	0.09	
-4439	H10	SLES	1	-7.53588	20.8034	4.98498	HAL2	4437	0	0	0	0.09	
-4440	C11	SLES	1	-7.67757	19.5318	6.75682	CTL2	4437	4441	4442	4443	-0.18	
-4441	H11	SLES	1	-8.43757	19.2846	7.53299	HAL2	4440	0	0	0	0.09	
-4442	H11	SLES	1	-6.80862	20.003	7.27047	HAL2	4440	0	0	0	0.09	
-4443	C12	SLES	1	-7.20664	18.2174	6.08221	CTL3	4440	4444	4445	4446	-0.27	
-4444	H12	SLES	1	-7.74415	17.3458	6.51674	HAL3	4443	0	0	0	0.09	
-4445	H12	SLES	1	-6.11454	18.0733	6.23685	HAL3	4443	0	0	0	0.09	
-4446	H12	SLES	1	-7.40858	18.2492	4.98935	HAL3	4443	0	0	0	0.09	
-4447	NA	SLES	1	-1.54636	42.2912	12.6942	NA	0	0	0	0	1	
-4448	S	SLES	1	-3.06479	41.699	9.42406	SL	4449	4450	4451	4452	1.33	
-4449	OS1	SLES	1	-2.29642	40.5235	10.3379	OSL	4448	4453	0	0	-0.28	
-4450	OS2	SLES	1	-4.13246	42.2247	10.2494	O2L	4448	0	0	0	-0.65	
-4451	OS3	SLES	1	-2.07729	42.7297	9.18115	O2L	4448	0	0	0	-0.65	
-4452	OS4	SLES	1	-3.60419	41.223	8.16037	O2L	4448	0	0	0	-0.65	
-4453	C2	SLES	1	-2.50854	39.1785	9.73255	CC32A	4449	4454	4455	4456	-0.11	
-4454	H2A	SLES	1	-3.60733	38.9677	9.60857	HCA2	4453	0	0	0	0.09	
-4455	H2B	SLES	1	-2.01771	39.1611	8.72011	HCA2	4453	0	0	0	0.09	
-4456	C1	SLES	1	-1.84732	38.0636	10.6736	CC32A	4453	4457	4458	4459	-0.01	
-4457	H1B	SLES	1	-2.26917	38.1371	11.7024	HCA2	4456	0	0	0	0.09	
-4458	H1A	SLES	1	-0.744148	38.2166	10.7258	HCA2	4456	0	0	0	0.09	
-4459	O1	SLES	1	-2.0033	36.6323	10.3496	OC30A	4456	4460	0	0	-0.34	
-4460	C2	SLES	1	-2.39593	36.3156	8.99751	CC32A	4459	4461	4462	4463	-0.01	
-4461	H2A	SLES	1	-3.37796	36.8225	8.92339	HCA2	4460	0	0	0	0.09	
-4462	H2B	SLES	1	-1.65289	36.8829	8.39303	HCA2	4460	0	0	0	0.09	
-4463	C1	SLES	1	-2.51904	34.8603	8.44595	CC32A	4460	4464	4465	4466	-0.01	
-4464	H1B	SLES	1	-3.556	34.4886	8.59633	HCA2	4463	0	0	0	0.09	
-4465	H1A	SLES	1	-2.29581	34.8604	7.36024	HCA2	4463	0	0	0	0.09	
-4466	O1	SLES	1	-1.76403	33.7293	8.98786	OC30A	4463	4467	0	0	-0.34	
-4467	C1	SLES	1	-1.45361	32.6643	8.0166	CTL2	4466	4468	4469	4470	-0.18	
-4468	H11	SLES	1	-2.03847	32.8756	7.10312	HAL2	4467	0	0	0	0.09	
-4469	H12	SLES	1	-0.382632	32.8662	7.80798	HAL2	4467	0	0	0	0.09	
-4470	C2	SLES	1	-1.64278	31.1509	8.42889	CTL2	4467	4471	4472	4473	-0.18	
-4471	H21	SLES	1	-2.05074	31.1031	9.46334	HAL2	4470	0	0	0	0.09	
-4472	H22	SLES	1	-0.650215	30.6495	8.4288	HAL2	4470	0	0	0	0.09	
-4473	C3	SLES	1	-2.63112	30.3625	7.43886	CTL2	4470	4474	4475	4476	-0.18	
-4474	H31	SLES	1	-3.61727	30.2355	7.93852	HAL2	4473	0	0	0	0.09	
-4475	H32	SLES	1	-2.78857	30.9706	6.52581	HAL2	4473	0	0	0	0.09	
-4476	C4	SLES	1	-2.08023	28.9369	7.01878	CTL2	4473	4477	4478	4479	-0.18	
-4477	H41	SLES	1	-2.60836	28.1591	7.60887	HAL2	4476	0	0	0	0.09	
-4478	H42	SLES	1	-0.99805	28.877	7.26439	HAL2	4476	0	0	0	0.09	
-4479	C5	SLES	1	-2.27622	28.6362	5.46446	CTL2	4476	4480	4481	4482	-0.18	
-4480	H51	SLES	1	-3.0408	29.3319	5.05358	HAL2	4479	0	0	0	0.09	
-4481	H52	SLES	1	-1.31633	28.8305	4.93361	HAL2	4479	0	0	0	0.09	
-4482	C6	SLES	1	-2.72903	27.1548	5.17831	CTL2	4479	4483	4484	4485	-0.18	
-4483	H61	SLES	1	-3.78867	27.0315	5.49618	HAL2	4482	0	0	0	0.09	
-4484	H62	SLES	1	-2.67593	26.9656	4.08066	HAL2	4482	0	0	0	0.09	
-4485	C7	SLES	1	-1.84892	26.0989	5.91917	CTL2	4482	4486	4487	4488	-0.18	
-4486	H71	SLES	1	-2.19686	26.0113	6.97227	HAL2	4485	0	0	0	0.09	
-4487	H72	SLES	1	-0.793419	26.4511	5.93427	HAL2	4485	0	0	0	0.09	
-4488	C8	SLES	1	-1.90539	24.7017	5.25274	CTL2	4485	4489	4490	4491	-0.18	
-4489	H81	SLES	1	-2.96706	24.4467	5.03084	HAL2	4488	0	0	0	0.09	
-4490	H82	SLES	1	-1.35079	24.7363	4.28743	HAL2	4488	0	0	0	0.09	
-4491	C9	SLES	1	-1.29526	23.5941	6.14784	CTL2	4488	4492	4493	4494	-0.18	
-4492	H91	SLES	1	-1.83101	23.58	7.12411	HAL2	4491	0	0	0	0.09	
-4493	H92	SLES	1	-0.226612	23.8354	6.34602	HAL2	4491	0	0	0	0.09	
-4494	C10	SLES	1	-1.38458	22.1904	5.50348	CTL2	4491	4495	4496	4497	-0.18	
-4495	H10	SLES	1	-2.45521	21.939	5.32651	HAL2	4494	0	0	0	0.09	
-4496	H10	SLES	1	-0.868151	22.2096	4.51709	HAL2	4494	0	0	0	0.09	
-4497	C11	SLES	1	-0.745062	21.0883	6.38903	CTL2	4494	4498	4499	4500	-0.18	
-4498	H11	SLES	1	-1.26946	21.0685	7.37174	HAL2	4497	0	0	0	0.09	
-4499	H11	SLES	1	0.32029	21.3533	6.57803	HAL2	4497	0	0	0	0.09	
-4500	C12	SLES	1	-0.803874	19.671	5.76266	CTL3	4497	4501	4502	4503	-0.27	
-4501	H12	SLES	1	-1.36375	18.9773	6.42802	HAL3	4500	0	0	0	0.09	
-4502	H12	SLES	1	0.223383	19.27	5.61653	HAL3	4500	0	0	0	0.09	
-4503	H12	SLES	1	-1.31473	19.7048	4.77574	HAL3	4500	0	0	0	0.09	
-4504	NA	SLES	1	12.5104	40.715	11.7414	NA	0	0	0	0	1	
-4505	S	SLES	1	9.98293	40.6754	9.10307	SL	4506	4507	4508	4509	1.33	
-4506	OS1	SLES	1	10.686	39.3043	9.76119	OSL	4505	4510	0	0	-0.28	
-4507	OS2	SLES	1	9.37143	41.3896	10.2047	O2L	4505	0	0	0	-0.65	
-4508	OS3	SLES	1	11.0681	41.4587	8.55042	O2L	4505	0	0	0	-0.65	
-4509	OS4	SLES	1	8.99085	40.4091	8.07384	O2L	4505	0	0	0	-0.65	
-4510	C2	SLES	1	9.98623	38.0816	9.27559	CC32A	4506	4511	4512	4513	-0.11	
-4511	H2A	SLES	1	8.88412	38.1404	9.49711	HCA2	4510	0	0	0	0.09	
-4512	H2B	SLES	1	10.1305	38.006	8.16217	HCA2	4510	0	0	0	0.09	
-4513	C1	SLES	1	10.613	36.7929	9.99115	CC32A	4510	4514	4515	4516	-0.01	
-4514	H1B	SLES	1	10.5508	36.906	11.098	HCA2	4513	0	0	0	0.09	
-4515	H1A	SLES	1	11.6838	36.6808	9.70114	HCA2	4513	0	0	0	0.09	
-4516	O1	SLES	1	10.0291	35.4577	9.75796	OC30A	4513	4517	0	0	-0.34	
-4517	C2	SLES	1	9.18407	35.3167	8.59667	CC32A	4516	4518	4519	4520	-0.01	
-4518	H2A	SLES	1	8.37647	36.0423	8.81615	HCA2	4517	0	0	0	0.09	
-4519	H2B	SLES	1	9.82385	35.7273	7.78336	HCA2	4517	0	0	0	0.09	
-4520	C1	SLES	1	8.55627	33.9632	8.13724	CC32A	4517	4521	4522	4523	-0.01	
-4521	H1B	SLES	1	7.55532	33.8363	8.60418	HCA2	4520	0	0	0	0.09	
-4522	H1A	SLES	1	8.43567	33.9711	7.03542	HCA2	4520	0	0	0	0.09	
-4523	O1	SLES	1	9.14573	32.659	8.44447	OC30A	4520	4524	0	0	-0.34	
-4524	C1	SLES	1	8.88524	31.6062	7.44557	CTL2	4523	4525	4526	4527	-0.18	
-4525	H11	SLES	1	8.12102	31.9984	6.75037	HAL2	4524	0	0	0	0.09	
-4526	H12	SLES	1	9.85945	31.5635	6.91607	HAL2	4524	0	0	0	0.09	
-4527	C2	SLES	1	8.47257	30.1584	7.92506	CTL2	4524	4528	4529	4530	-0.18	
-4528	H21	SLES	1	8.39581	30.1502	9.03539	HAL2	4527	0	0	0	0.09	
-4529	H22	SLES	1	9.26888	29.4398	7.6316	HAL2	4527	0	0	0	0.09	
-4530	C3	SLES	1	7.07367	29.6787	7.29947	CTL2	4527	4531	4532	4533	-0.18	
-4531	H31	SLES	1	6.28325	29.7581	8.07871	HAL2	4530	0	0	0	0.09	
-4532	H32	SLES	1	6.79906	30.3562	6.46652	HAL2	4530	0	0	0	0.09	
-4533	C4	SLES	1	7.11475	28.1893	6.75885	CTL2	4530	4534	4535	4536	-0.18	
-4534	H41	SLES	1	6.61867	27.525	7.4969	HAL2	4533	0	0	0	0.09	
-4535	H42	SLES	1	8.17334	27.8647	6.66343	HAL2	4533	0	0	0	0.09	
-4536	C5	SLES	1	6.39417	28.0289	5.3447	CTL2	4533	4537	4538	4539	-0.18	
-4537	H51	SLES	1	5.73116	28.9056	5.17352	HAL2	4536	0	0	0	0.09	
-4538	H52	SLES	1	7.16704	28.0226	4.54247	HAL2	4536	0	0	0	0.09	
-4539	C6	SLES	1	5.53564	26.7124	5.23911	CTL2	4536	4540	4541	4542	-0.18	
-4540	H61	SLES	1	4.62357	26.8227	5.86764	HAL2	4539	0	0	0	0.09	
-4541	H62	SLES	1	5.2091	26.577	4.18153	HAL2	4539	0	0	0	0.09	
-4542	C7	SLES	1	6.31842	25.4409	5.69611	CTL2	4539	4543	4544	4545	-0.18	
-4543	H71	SLES	1	6.29314	25.379	6.80664	HAL2	4542	0	0	0	0.09	
-4544	H72	SLES	1	7.38162	25.5354	5.38143	HAL2	4542	0	0	0	0.09	
-4545	C8	SLES	1	5.73147	24.1346	5.10585	CTL2	4542	4546	4547	4548	-0.18	
-4546	H81	SLES	1	4.62361	24.1472	5.22365	HAL2	4545	0	0	0	0.09	
-4547	H82	SLES	1	5.96127	24.0919	4.01682	HAL2	4545	0	0	0	0.09	
-4548	C9	SLES	1	6.29906	22.8673	5.79313	CTL2	4545	4549	4550	4551	-0.18	
-4549	H91	SLES	1	6.09487	22.9249	6.88644	HAL2	4548	0	0	0	0.09	
-4550	H92	SLES	1	7.40295	22.841	5.65087	HAL2	4548	0	0	0	0.09	
-4551	C10	SLES	1	5.68688	21.5612	5.23403	CTL2	4548	4552	4553	4554	-0.18	
-4552	H10	SLES	1	4.58512	21.577	5.39728	HAL2	4551	0	0	0	0.09	
-4553	H10	SLES	1	5.87141	21.5136	4.13688	HAL2	4551	0	0	0	0.09	
-4554	C11	SLES	1	6.28003	20.293	5.90314	CTL2	4551	4555	4556	4557	-0.18	
-4555	H11	SLES	1	6.0869	20.342	6.99923	HAL2	4554	0	0	0	0.09	
-4556	H11	SLES	1	7.38379	20.2909	5.75269	HAL2	4554	0	0	0	0.09	
-4557	C12	SLES	1	5.69817	18.9654	5.35212	CTL3	4554	4558	4559	4560	-0.27	
-4558	H12	SLES	1	5.21556	18.386	6.1699	HAL3	4557	0	0	0	0.09	
-4559	H12	SLES	1	6.5066	18.3443	4.90709	HAL3	4557	0	0	0	0.09	
-4560	H12	SLES	1	4.9377	19.1721	4.56783	HAL3	4557	0	0	0	0.09	
-4561	NA	SLES	1	25.1878	34.7141	10.6108	NA	0	0	0	0	1	
-4562	S	SLES	1	22.1223	35.6284	8.84512	SL	4563	4564	4565	4566	1.33	
-4563	OS1	SLES	1	22.601	34.0533	9.15749	OSL	4562	4567	0	0	-0.28	
-4564	OS2	SLES	1	22.0328	36.2904	10.1301	O2L	4562	0	0	0	-0.65	
-4565	OS3	SLES	1	23.1822	36.2229	8.05786	O2L	4562	0	0	0	-0.65	
-4566	OS4	SLES	1	20.8566	35.7447	8.1388	O2L	4562	0	0	0	-0.65	
-4567	C2	SLES	1	21.508	33.1028	8.80827	CC32A	4563	4568	4569	4570	-0.11	
-4568	H2A	SLES	1	20.559	33.3724	9.3503	HCA2	4567	0	0	0	0.09	
-4569	H2B	SLES	1	21.3238	33.1619	7.69974	HCA2	4567	0	0	0	0.09	
-4570	C1	SLES	1	21.9524	31.6156	9.20427	CC32A	4567	4571	4572	4573	-0.01	
-4571	H1B	SLES	1	22.2206	31.5753	10.2851	HCA2	4570	0	0	0	0.09	
-4572	H1A	SLES	1	22.8403	31.3118	8.60223	HCA2	4570	0	0	0	0.09	
-4573	O1	SLES	1	21.0059	30.4936	9.05233	OC30A	4570	4574	0	0	-0.34	
-4574	C2	SLES	1	19.8733	30.7173	8.1864	CC32A	4573	4575	4576	4577	-0.01	
-4575	H2A	SLES	1	19.3679	31.5642	8.69064	HCA2	4574	0	0	0	0.09	
-4576	H2B	SLES	1	20.3543	31.0903	7.25423	HCA2	4574	0	0	0	0.09	
-4577	C1	SLES	1	18.8206	29.6207	7.83067	CC32A	4574	4578	4579	4580	-0.01	
-4578	H1B	SLES	1	17.9839	29.6526	8.56203	HCA2	4577	0	0	0	0.09	
-4579	H1A	SLES	1	18.4149	29.8177	6.81813	HCA2	4577	0	0	0	0.09	
-4580	O1	SLES	1	19.1168	28.1872	7.84784	OC30A	4577	4581	0	0	-0.34	
-4581	C1	SLES	1	18.3374	27.3781	6.89291	CTL2	4580	4582	4583	4584	-0.18	
-4582	H11	SLES	1	17.5415	28.029	6.48785	HAL2	4581	0	0	0	0.09	
-4583	H12	SLES	1	19.0891	27.198	6.09684	HAL2	4581	0	0	0	0.09	
-4584	C2	SLES	1	17.7124	26.0043	7.35997	CTL2	4581	4585	4586	4587	-0.18	
-4585	H21	SLES	1	17.937	25.8498	8.43908	HAL2	4584	0	0	0	0.09	
-4586	H22	SLES	1	18.1893	25.1777	6.78919	HAL2	4584	0	0	0	0.09	
-4587	C3	SLES	1	16.1226	25.946	7.142	CTL2	4584	4588	4589	4590	-0.18	
-4588	H31	SLES	1	15.6179	26.0838	8.12418	HAL2	4587	0	0	0	0.09	
-4589	H32	SLES	1	15.8173	26.7829	6.48272	HAL2	4587	0	0	0	0.09	
-4590	C4	SLES	1	15.6345	24.5814	6.50028	CTL2	4587	4591	4592	4593	-0.18	
-4591	H41	SLES	1	15.2019	23.943	7.29865	HAL2	4590	0	0	0	0.09	
-4592	H42	SLES	1	16.509	24.0468	6.07069	HAL2	4590	0	0	0	0.09	
-4593	C5	SLES	1	14.5447	24.796	5.35525	CTL2	4590	4594	4595	4596	-0.18	
-4594	H51	SLES	1	14.1074	25.8138	5.45641	HAL2	4593	0	0	0	0.09	
-4595	H52	SLES	1	15.0456	24.736	4.36203	HAL2	4593	0	0	0	0.09	
-4596	C6	SLES	1	13.3822	23.7344	5.40761	CTL2	4593	4597	4598	4599	-0.18	
-4597	H61	SLES	1	12.7321	23.9512	6.28474	HAL2	4596	0	0	0	0.09	
-4598	H62	SLES	1	12.7605	23.8326	4.48715	HAL2	4596	0	0	0	0.09	
-4599	C7	SLES	1	13.9065	22.2672	5.51258	CTL2	4596	4600	4601	4602	-0.18	
-4600	H71	SLES	1	14.1652	22.0494	6.57247	HAL2	4599	0	0	0	0.09	
-4601	H72	SLES	1	14.8336	22.1677	4.90522	HAL2	4599	0	0	0	0.09	
-4602	C8	SLES	1	12.8687	21.2263	5.02385	CTL2	4599	4603	4604	4605	-0.18	
-4603	H81	SLES	1	11.8747	21.468	5.46529	HAL2	4602	0	0	0	0.09	
-4604	H82	SLES	1	12.7789	21.2945	3.91574	HAL2	4602	0	0	0	0.09	
-4605	C9	SLES	1	13.256	19.7773	5.41213	CTL2	4602	4606	4607	4608	-0.18	
-4606	H91	SLES	1	13.3746	19.717	6.51787	HAL2	4605	0	0	0	0.09	
-4607	H92	SLES	1	14.2363	19.5268	4.94754	HAL2	4605	0	0	0	0.09	
-4608	C10	SLES	1	12.2032	18.7375	4.96055	CTL2	4605	4609	4610	4611	-0.18	
-4609	H10	SLES	1	11.2279	18.9742	5.44369	HAL2	4608	0	0	0	0.09	
-4610	H10	SLES	1	12.068	18.8124	3.85777	HAL2	4608	0	0	0	0.09	
-4611	C11	SLES	1	12.6091	17.2845	5.3239	CTL2	4608	4612	4613	4614	-0.18	
-4612	H11	SLES	1	12.7365	17.2132	6.42834	HAL2	4611	0	0	0	0.09	
-4613	H11	SLES	1	13.5933	17.0588	4.85342	HAL2	4611	0	0	0	0.09	
-4614	C12	SLES	1	11.5812	16.2162	4.86937	CTL3	4611	4615	4616	4617	-0.27	
-4615	H12	SLES	1	11.2042	15.6449	5.7462	HAL3	4614	0	0	0	0.09	
-4616	H12	SLES	1	12.0536	15.5032	4.15824	HAL3	4614	0	0	0	0.09	
-4617	H12	SLES	1	10.7173	16.7005	4.36408	HAL3	4614	0	0	0	0.09	
-4618	NA	SLES	1	35.1531	25.0717	9.36751	NA	0	0	0	0	1	
-4619	S	SLES	1	32.1432	27.0069	8.62864	SL	4620	4621	4622	4623	1.33	
-4620	OS1	SLES	1	32.2398	25.3365	8.54128	OSL	4619	4624	0	0	-0.28	
-4621	OS2	SLES	1	32.503	27.3664	9.98468	O2L	4619	0	0	0	-0.65	
-4622	OS3	SLES	1	33.1347	27.5166	7.70473	O2L	4619	0	0	0	-0.65	
-4623	OS4	SLES	1	30.8357	27.5528	8.30185	O2L	4619	0	0	0	-0.65	
-4624	C2	SLES	1	30.8854	24.7513	8.33288	CC32A	4620	4625	4626	4627	-0.11	
-4625	H2A	SLES	1	30.177	25.0931	9.13816	HCA2	4624	0	0	0	0.09	
-4626	H2B	SLES	1	30.4967	25.0968	7.33499	HCA2	4624	0	0	0	0.09	
-4627	C1	SLES	1	30.9906	23.153	8.34855	CC32A	4624	4628	4629	4630	-0.01	
-4628	H1B	SLES	1	31.4575	22.8131	9.30155	HCA2	4627	0	0	0	0.09	
-4629	H1A	SLES	1	31.6199	22.8057	7.49622	HCA2	4627	0	0	0	0.09	
-4630	O1	SLES	1	29.7696	22.3287	8.26172	OC30A	4627	4631	0	0	-0.34	
-4631	C2	SLES	1	28.5827	22.9833	7.76649	CC32A	4630	4632	4633	4634	-0.01	
-4632	H2A	SLES	1	28.4374	23.7847	8.51724	HCA2	4631	0	0	0	0.09	
-4633	H2B	SLES	1	28.9402	23.4418	6.81712	HCA2	4631	0	0	0	0.09	
-4634	C1	SLES	1	27.226	22.2521	7.51727	CC32A	4631	4635	4636	4637	-0.01	
-4635	H1B	SLES	1	26.5995	22.301	8.43438	HCA2	4634	0	0	0	0.09	
-4636	H1A	SLES	1	26.6855	22.7554	6.69072	HCA2	4634	0	0	0	0.09	
-4637	O1	SLES	1	27.127	20.8223	7.21945	OC30A	4634	4638	0	0	-0.34	
-4638	C1	SLES	1	25.9791	20.439	6.37713	CTL2	4637	4639	4640	4641	-0.18	
-4639	H11	SLES	1	25.3187	21.3221	6.3047	HAL2	4638	0	0	0	0.09	
-4640	H12	SLES	1	26.4727	20.2825	5.39574	HAL2	4638	0	0	0	0.09	
-4641	C2	SLES	1	25.1227	19.1662	6.75486	CTL2	4638	4642	4643	4644	-0.18	
-4642	H21	SLES	1	25.518	18.7278	7.6985	HAL2	4641	0	0	0	0.09	
-4643	H22	SLES	1	25.2327	18.4052	5.95149	HAL2	4641	0	0	0	0.09	
-4644	C3	SLES	1	23.5655	19.5075	6.94749	CTL2	4641	4645	4646	4647	-0.18	
-4645	H31	SLES	1	23.332	19.5279	8.0353	HAL2	4644	0	0	0	0.09	
-4646	H32	SLES	1	23.3635	20.517	6.53746	HAL2	4644	0	0	0	0.09	
-4647	C4	SLES	1	22.6094	18.4625	6.23603	CTL2	4644	4648	4649	4650	-0.18	
-4648	H41	SLES	1	22.1988	17.7715	7.00155	HAL2	4647	0	0	0	0.09	
-4649	H42	SLES	1	23.2006	17.8602	5.51304	HAL2	4647	0	0	0	0.09	
-4650	C5	SLES	1	21.4021	19.162	5.46262	CTL2	4647	4651	4652	4653	-0.18	
-4651	H51	SLES	1	21.2824	20.2013	5.8405	HAL2	4650	0	0	0	0.09	
-4652	H52	SLES	1	21.6505	19.2186	4.37816	HAL2	4650	0	0	0	0.09	
-4653	C6	SLES	1	20.0365	18.3962	5.63594	CTL2	4650	4654	4655	4656	-0.18	
-4654	H61	SLES	1	19.6651	18.5472	6.6744	HAL2	4653	0	0	0	0.09	
-4655	H62	SLES	1	19.2856	18.8323	4.93634	HAL2	4653	0	0	0	0.09	
-4656	C7	SLES	1	20.1615	16.8649	5.35732	CTL2	4653	4657	4658	4659	-0.18	
-4657	H71	SLES	1	20.568	16.3633	6.26337	HAL2	4656	0	0	0	0.09	
-4658	H72	SLES	1	20.8809	16.7042	4.52373	HAL2	4656	0	0	0	0.09	
-4659	C8	SLES	1	18.8059	16.2131	4.98688	CTL2	4656	4660	4661	4662	-0.18	
-4660	H81	SLES	1	18.0267	16.5609	5.70339	HAL2	4659	0	0	0	0.09	
-4661	H82	SLES	1	18.5086	16.5466	3.96659	HAL2	4659	0	0	0	0.09	
-4662	C9	SLES	1	18.8659	14.6653	5.01625	CTL2	4659	4663	4664	4665	-0.18	
-4663	H91	SLES	1	19.1919	14.3337	6.02822	HAL2	4662	0	0	0	0.09	
-4664	H92	SLES	1	19.625	14.3175	4.27981	HAL2	4662	0	0	0	0.09	
-4665	C10	SLES	1	17.5043	14.0096	4.68525	CTL2	4662	4666	4667	4668	-0.18	
-4666	H10	SLES	1	16.75	14.3391	5.43579	HAL2	4665	0	0	0	0.09	
-4667	H10	SLES	1	17.167	14.3581	3.68283	HAL2	4665	0	0	0	0.09	
-4668	C11	SLES	1	17.5755	12.4595	4.68541	CTL2	4665	4669	4670	4671	-0.18	
-4669	H11	SLES	1	17.9066	12.1157	5.69203	HAL2	4668	0	0	0	0.09	
-4670	H11	SLES	1	18.3436	12.1357	3.94646	HAL2	4668	0	0	0	0.09	
-4671	C12	SLES	1	16.229	11.772	4.34047	CTL3	4668	4672	4673	4674	-0.27	
-4672	H12	SLES	1	15.905	11.1148	5.17746	HAL3	4671	0	0	0	0.09	
-4673	H12	SLES	1	16.3357	11.1514	3.4235	HAL3	4671	0	0	0	0.09	
-4674	H12	SLES	1	15.4395	12.5343	4.16251	HAL3	4671	0	0	0	0.09	
-4675	NA	SLES	1	41.4658	12.9326	8.08813	NA	0	0	0	0	1	
-4676	S	SLES	1	39.013	15.6194	8.42792	SL	4677	4678	4679	4680	1.33	
-4677	OS1	SLES	1	38.6483	14.0623	7.92824	OSL	4676	4681	0	0	-0.28	
-4678	OS2	SLES	1	39.6253	15.4961	9.73459	O2L	4676	0	0	0	-0.65	
-4679	OS3	SLES	1	39.9786	16.1314	7.47819	O2L	4676	0	0	0	-0.65	
-4680	OS4	SLES	1	37.8681	16.513	8.49978	O2L	4676	0	0	0	-0.65	
-4681	C2	SLES	1	37.1717	13.877	7.85248	CC32A	4677	4682	4683	4684	-0.11	
-4682	H2A	SLES	1	36.6887	14.1299	8.83733	HCA2	4681	0	0	0	0.09	
-4683	H2B	SLES	1	36.7656	14.5652	7.06018	HCA2	4681	0	0	0	0.09	
-4684	C1	SLES	1	36.8475	12.3566	7.46639	CC32A	4681	4685	4686	4687	-0.01	
-4685	H1B	SLES	1	37.3242	11.6688	8.20219	HCA2	4684	0	0	0	0.09	
-4686	H1A	SLES	1	37.2475	12.1294	6.45074	HCA2	4684	0	0	0	0.09	
-4687	O1	SLES	1	35.4501	11.8843	7.42357	OC30A	4684	4688	0	0	-0.34	
-4688	C2	SLES	1	34.4279	12.8994	7.3377	CC32A	4687	4689	4690	4691	-0.01	
-4689	H2A	SLES	1	34.5986	13.4706	8.27119	HCA2	4688	0	0	0	0.09	
-4690	H2B	SLES	1	34.771	13.5125	6.47415	HCA2	4688	0	0	0	0.09	
-4691	C1	SLES	1	32.9051	12.5897	7.18873	CC32A	4688	4692	4693	4694	-0.01	
-4692	H1B	SLES	1	32.4364	12.5196	8.19445	HCA2	4691	0	0	0	0.09	
-4693	H1A	SLES	1	32.4179	13.4113	6.62644	HCA2	4691	0	0	0	0.09	
-4694	O1	SLES	1	32.3909	11.3598	6.58391	OC30A	4691	4695	0	0	-0.34	
-4695	C1	SLES	1	31.0848	11.4938	5.91292	CTL2	4694	4696	4697	4698	-0.18	
-4696	H11	SLES	1	30.6804	12.4864	6.18202	HAL2	4695	0	0	0	0.09	
-4697	H12	SLES	1	31.3896	11.5111	4.84611	HAL2	4695	0	0	0	0.09	
-4698	C2	SLES	1	29.9751	10.3913	6.13492	CTL2	4695	4699	4700	4701	-0.18	
-4699	H21	SLES	1	30.3558	9.63018	6.85221	HAL2	4698	0	0	0	0.09	
-4700	H22	SLES	1	29.7747	9.88039	5.16779	HAL2	4698	0	0	0	0.09	
-4701	C3	SLES	1	28.6031	11.0047	6.7007	CTL2	4698	4702	4703	4704	-0.18	
-4702	H31	SLES	1	28.524	10.7724	7.78609	HAL2	4701	0	0	0	0.09	
-4703	H32	SLES	1	28.6274	12.1071	6.58998	HAL2	4701	0	0	0	0.09	
-4704	C4	SLES	1	27.3203	10.4415	5.95963	CTL2	4701	4705	4706	4707	-0.18	
-4705	H41	SLES	1	26.8411	9.67432	6.60306	HAL2	4704	0	0	0	0.09	
-4706	H42	SLES	1	27.6322	9.94853	5.01371	HAL2	4704	0	0	0	0.09	
-4707	C5	SLES	1	26.2552	11.5806	5.62357	CTL2	4704	4708	4709	4710	-0.18	
-4708	H51	SLES	1	26.4664	12.4725	6.25393	HAL2	4707	0	0	0	0.09	
-4709	H52	SLES	1	26.3696	11.8806	4.55688	HAL2	4707	0	0	0	0.09	
-4710	C6	SLES	1	24.7683	11.1227	5.87029	CTL2	4707	4711	4712	4713	-0.18	
-4711	H61	SLES	1	24.5861	11.0569	6.96644	HAL2	4710	0	0	0	0.09	
-4712	H62	SLES	1	24.0783	11.8932	5.45351	HAL2	4710	0	0	0	0.09	
-4713	C7	SLES	1	24.4435	9.74249	5.21623	CTL2	4710	4714	4715	4716	-0.18	
-4714	H71	SLES	1	24.8133	8.93024	5.88051	HAL2	4713	0	0	0	0.09	
-4715	H72	SLES	1	24.9817	9.66411	4.24541	HAL2	4713	0	0	0	0.09	
-4716	C8	SLES	1	22.9274	9.54056	4.9706	CTL2	4713	4717	4718	4719	-0.18	
-4717	H81	SLES	1	22.3672	9.83961	5.88606	HAL2	4716	0	0	0	0.09	
-4718	H82	SLES	1	22.6025	10.2033	4.13644	HAL2	4716	0	0	0	0.09	
-4719	C9	SLES	1	22.5753	8.07352	4.61831	CTL2	4716	4720	4721	4722	-0.18	
-4720	H91	SLES	1	22.9271	7.40843	5.43944	HAL2	4719	0	0	0	0.09	
-4721	H92	SLES	1	23.1138	7.78452	3.68776	HAL2	4719	0	0	0	0.09	
-4722	C10	SLES	1	21.0574	7.85831	4.41047	CTL2	4719	4723	4724	4725	-0.18	
-4723	H10	SLES	1	20.5204	8.12521	5.34916	HAL2	4722	0	0	0	0.09	
-4724	H10	SLES	1	20.7006	8.53897	3.6046	HAL2	4722	0	0	0	0.09	
-4725	C11	SLES	1	20.7117	6.39479	4.02767	CTL2	4722	4726	4727	4728	-0.18	
-4726	H11	SLES	1	21.0644	5.71867	4.83982	HAL2	4725	0	0	0	0.09	
-4727	H11	SLES	1	21.2649	6.12677	3.09866	HAL2	4725	0	0	0	0.09	
-4728	C12	SLES	1	19.1981	6.15029	3.79602	CTL3	4725	4729	4730	4731	-0.27	
-4729	H12	SLES	1	18.8197	5.3755	4.4988	HAL3	4728	0	0	0	0.09	
-4730	H12	SLES	1	19.0176	5.80287	2.75484	HAL3	4728	0	0	0	0.09	
-4731	H12	SLES	1	18.6247	7.08848	3.96089	HAL3	4728	0	0	0	0.09	
-4732	NA	SLES	1	43.6461	-0.382182	6.85249	NA	0	0	0	0	1	
-4733	S	SLES	1	41.9868	2.57399	8.21566	SL	4734	4735	4736	4737	1.33	
-4734	OS1	SLES	1	41.2143	1.37704	7.33365	OSL	4733	4738	0	0	-0.28	
-4735	OS2	SLES	1	42.5892	1.91608	9.3566	O2L	4733	0	0	0	-0.65	
-4736	OS3	SLES	1	43.0201	3.10694	7.35259	O2L	4733	0	0	0	-0.65	
-4737	OS4	SLES	1	41.1158	3.64781	8.66601	O2L	4733	0	0	0	-0.65	
-4738	C2	SLES	1	39.7385	1.57971	7.37057	CC32A	4734	4739	4740	4741	-0.11	
-4739	H2A	SLES	1	39.3706	1.6269	8.43339	HCA2	4738	0	0	0	0.09	
-4740	H2B	SLES	1	39.4987	2.55259	6.85848	HCA2	4738	0	0	0	0.09	
-4741	C1	SLES	1	39.0185	0.372333	6.60275	CC32A	4738	4742	4743	4744	-0.01	
-4742	H1B	SLES	1	39.3246	-0.599765	7.0534	HCA2	4741	0	0	0	0.09	
-4743	H1A	SLES	1	39.3118	0.377888	5.52708	HCA2	4741	0	0	0	0.09	
-4744	O1	SLES	1	37.5457	0.281398	6.57999	OC30A	4741	4745	0	0	-0.34	
-4745	C2	SLES	1	36.8195	1.48635	6.90161	CC32A	4744	4746	4747	4748	-0.01	
-4746	H2A	SLES	1	37.1635	1.68771	7.93507	HCA2	4745	0	0	0	0.09	
-4747	H2B	SLES	1	37.281	2.23401	6.21793	HCA2	4745	0	0	0	0.09	
-4748	C1	SLES	1	35.2644	1.60758	6.83825	CC32A	4745	4749	4750	4751	-0.01	
-4749	H1B	SLES	1	34.8272	1.34713	7.82674	HCA2	4748	0	0	0	0.09	
-4750	H1A	SLES	1	34.9885	2.65256	6.59223	HCA2	4748	0	0	0	0.09	
-4751	O1	SLES	1	34.429	0.779998	5.96644	OC30A	4748	4752	0	0	-0.34	
-4752	C1	SLES	1	33.1808	1.41835	5.50972	CTL2	4751	4753	4754	4755	-0.18	
-4753	H11	SLES	1	33.0569	2.34756	6.09486	HAL2	4752	0	0	0	0.09	
-4754	H12	SLES	1	33.4441	1.68765	4.46595	HAL2	4752	0	0	0	0.09	
-4755	C2	SLES	1	31.8311	0.597214	5.52672	CTL2	4752	4756	4757	4758	-0.18	
-4756	H21	SLES	1	32.025	-0.414055	5.94928	HAL2	4755	0	0	0	0.09	
-4757	H22	SLES	1	31.473	0.468775	4.4818	HAL2	4755	0	0	0	0.09	
-4758	C3	SLES	1	30.6848	1.3157	6.3917	CTL2	4755	4759	4760	4761	-0.18	
-4759	H31	SLES	1	30.5843	0.788907	7.36672	HAL2	4758	0	0	0	0.09	
-4760	H32	SLES	1	30.9905	2.36043	6.59979	HAL2	4758	0	0	0	0.09	
-4761	C4	SLES	1	29.2759	1.32693	5.66579	CTL2	4758	4762	4763	4764	-0.18	
-4762	H41	SLES	1	28.6357	0.536762	6.11078	HAL2	4761	0	0	0	0.09	
-4763	H42	SLES	1	29.4177	1.08707	4.58997	HAL2	4761	0	0	0	0.09	
-4764	C5	SLES	1	28.5322	2.73277	5.78957	CTL2	4761	4765	4766	4767	-0.18	
-4765	H51	SLES	1	28.9883	3.31278	6.62204	HAL2	4764	0	0	0	0.09	
-4766	H52	SLES	1	28.6849	3.308	4.8479	HAL2	4764	0	0	0	0.09	
-4767	C6	SLES	1	26.9864	2.58804	6.05635	CTL2	4764	4768	4769	4770	-0.18	
-4768	H61	SLES	1	26.8299	2.23596	7.10067	HAL2	4767	0	0	0	0.09	
-4769	H62	SLES	1	26.5064	3.58957	5.95642	HAL2	4767	0	0	0	0.09	
-4770	C7	SLES	1	26.2932	1.59193	5.07377	CTL2	4767	4771	4772	4773	-0.18	
-4771	H71	SLES	1	26.4615	0.552318	5.43244	HAL2	4770	0	0	0	0.09	
-4772	H72	SLES	1	26.7601	1.68827	4.06828	HAL2	4770	0	0	0	0.09	
-4773	C8	SLES	1	24.7694	1.84045	4.94859	CTL2	4770	4774	4775	4776	-0.18	
-4774	H81	SLES	1	24.3366	1.96974	5.9671	HAL2	4773	0	0	0	0.09	
-4775	H82	SLES	1	24.5999	2.78338	4.38045	HAL2	4773	0	0	0	0.09	
-4776	C9	SLES	1	24.0373	0.678613	4.2313	CTL2	4773	4777	4778	4779	-0.18	
-4777	H91	SLES	1	24.2316	-0.268886	4.78342	HAL2	4776	0	0	0	0.09	
-4778	H92	SLES	1	24.4512	0.568344	3.20369	HAL2	4776	0	0	0	0.09	
-4779	C10	SLES	1	22.5095	0.903777	4.13847	CTL2	4776	4780	4781	4782	-0.18	
-4780	H10	SLES	1	22.0915	0.990815	5.16731	HAL2	4779	0	0	0	0.09	
-4781	H10	SLES	1	22.3149	1.86218	3.6059	HAL2	4779	0	0	0	0.09	
-4782	C11	SLES	1	21.7835	-0.247023	3.39245	CTL2	4779	4783	4784	4785	-0.18	
-4783	H11	SLES	1	21.9755	-1.20217	3.93276	HAL2	4782	0	0	0	0.09	
-4784	H11	SLES	1	22.2171	-0.341885	2.37073	HAL2	4782	0	0	0	0.09	
-4785	C12	SLES	1	20.2514	-0.0425972	3.2681	CTL3	4782	4786	4787	4788	-0.27	
-4786	H12	SLES	1	19.7086	-0.881873	3.7563	HAL3	4785	0	0	0	0.09	
-4787	H12	SLES	1	19.9525	-0.00233573	2.19741	HAL3	4785	0	0	0	0.09	
-4788	H12	SLES	1	19.9468	0.90836	3.757	HAL3	4785	0	0	0	0.09	
-4789	NA	SLES	1	41.6604	-13.5497	5.73583	NA	0	0	0	0	1	
-4790	S	SLES	1	40.7002	-10.8192	7.96575	SL	4791	4792	4793	4794	1.33	
-4791	OS1	SLES	1	39.7138	-11.457	6.77086	OSL	4790	4795	0	0	-0.28	
-4792	OS2	SLES	1	41.0464	-11.9204	8.84033	O2L	4790	0	0	0	-0.65	
-4793	OS3	SLES	1	41.8865	-10.3338	7.29221	O2L	4790	0	0	0	-0.65	
-4794	OS4	SLES	1	40.095	-9.74541	8.73721	O2L	4790	0	0	0	-0.65	
-4795	C2	SLES	1	38.3349	-10.9052	6.89077	CC32A	4791	4796	4797	4798	-0.11	
-4796	H2A	SLES	1	37.9226	-11.0873	7.92228	HCA2	4795	0	0	0	0.09	
-4797	H2B	SLES	1	38.3767	-9.796	6.70574	HCA2	4795	0	0	0	0.09	
-4798	C1	SLES	1	37.3893	-11.6002	5.80055	CC32A	4795	4799	4800	4801	-0.01	
-4799	H1B	SLES	1	37.4158	-12.7072	5.92635	HCA2	4798	0	0	0	0.09	
-4800	H1A	SLES	1	37.7434	-11.3467	4.77415	HCA2	4798	0	0	0	0.09	
-4801	O1	SLES	1	35.9445	-11.3011	5.77352	OC30A	4798	4802	0	0	-0.34	
-4802	C2	SLES	1	35.52	-10.1051	6.46052	CC32A	4801	4803	4804	4805	-0.01	
-4803	H2A	SLES	1	35.8359	-10.3184	7.5005	HCA2	4802	0	0	0	0.09	
-4804	H2B	SLES	1	36.1951	-9.33029	6.03234	HCA2	4802	0	0	0	0.09	
-4805	C1	SLES	1	34.0506	-9.57771	6.46123	CC32A	4802	4806	4807	4808	-0.01	
-4806	H1B	SLES	1	33.5	-10.0025	7.32863	HCA2	4805	0	0	0	0.09	
-4807	H1A	SLES	1	34.0583	-8.47304	6.55206	HCA2	4805	0	0	0	0.09	
-4808	O1	SLES	1	33.0942	-9.86306	5.39037	OC30A	4805	4809	0	0	-0.34	
-4809	C1	SLES	1	32.0748	-8.82061	5.17078	CTL2	4808	4810	4811	4812	-0.18	
-4810	H11	SLES	1	32.1474	-8.11089	6.0147	HAL2	4809	0	0	0	0.09	
-4811	H12	SLES	1	32.4631	-8.32665	4.25614	HAL2	4809	0	0	0	0.09	
-4812	C2	SLES	1	30.5657	-9.23588	4.95557	CTL2	4809	4813	4814	4815	-0.18	
-4813	H21	SLES	1	30.4757	-10.3417	5.04434	HAL2	4812	0	0	0	0.09	
-4814	H22	SLES	1	30.2549	-8.94851	3.92728	HAL2	4812	0	0	0	0.09	
-4815	C3	SLES	1	29.5797	-8.54297	6.01676	CTL2	4812	4816	4817	4818	-0.18	
-4816	H31	SLES	1	29.2895	-9.29443	6.78445	HAL2	4815	0	0	0	0.09	
-4817	H32	SLES	1	30.1204	-7.72341	6.53076	HAL2	4815	0	0	0	0.09	
-4818	C4	SLES	1	28.267	-7.95491	5.35098	CTL2	4815	4819	4820	4821	-0.18	
-4819	H41	SLES	1	27.424	-8.65143	5.54171	HAL2	4818	0	0	0	0.09	
-4820	H42	SLES	1	28.4139	-7.88824	4.25143	HAL2	4818	0	0	0	0.09	
-4821	C5	SLES	1	27.888	-6.51034	5.91164	CTL2	4818	4822	4823	4824	-0.18	
-4822	H51	SLES	1	28.419	-6.34389	6.87487	HAL2	4821	0	0	0	0.09	
-4823	H52	SLES	1	28.2385	-5.73771	5.18976	HAL2	4821	0	0	0	0.09	
-4824	C6	SLES	1	26.3407	-6.32903	6.14474	CTL2	4821	4825	4826	4827	-0.18	
-4825	H61	SLES	1	26.0351	-6.92646	7.03286	HAL2	4824	0	0	0	0.09	
-4826	H62	SLES	1	26.1309	-5.25609	6.36438	HAL2	4824	0	0	0	0.09	
-4827	C7	SLES	1	25.4871	-6.77225	4.91458	CTL2	4824	4828	4829	4830	-0.18	
-4828	H71	SLES	1	25.3695	-7.87839	4.93423	HAL2	4827	0	0	0	0.09	
-4829	H72	SLES	1	26.027	-6.50072	3.98016	HAL2	4827	0	0	0	0.09	
-4830	C8	SLES	1	24.0835	-6.11732	4.89504	CTL2	4827	4831	4832	4833	-0.18	
-4831	H81	SLES	1	23.6316	-6.19412	5.91058	HAL2	4830	0	0	0	0.09	
-4832	H82	SLES	1	24.1895	-5.03679	4.6464	HAL2	4830	0	0	0	0.09	
-4833	C9	SLES	1	23.1343	-6.78265	3.86707	CTL2	4830	4834	4835	4836	-0.18	
-4834	H91	SLES	1	23.0522	-7.86891	4.09868	HAL2	4833	0	0	0	0.09	
-4835	H92	SLES	1	23.5732	-6.68083	2.84901	HAL2	4833	0	0	0	0.09	
-4836	C10	SLES	1	21.719	-6.15791	3.87121	CTL2	4833	4837	4838	4839	-0.18	
-4837	H10	SLES	1	21.2704	-6.28044	4.88338	HAL2	4836	0	0	0	0.09	
-4838	H10	SLES	1	21.8022	-5.06743	3.66156	HAL2	4836	0	0	0	0.09	
-4839	C11	SLES	1	20.7803	-6.80602	2.81919	CTL2	4836	4840	4841	4842	-0.18	
-4840	H11	SLES	1	20.6949	-7.89518	3.03726	HAL2	4839	0	0	0	0.09	
-4841	H11	SLES	1	21.2417	-6.69682	1.81116	HAL2	4839	0	0	0	0.09	
-4842	C12	SLES	1	19.3577	-6.18977	2.78704	CTL3	4839	4843	4844	4845	-0.27	
-4843	H12	SLES	1	18.5939	-6.96924	3.00233	HAL3	4842	0	0	0	0.09	
-4844	H12	SLES	1	19.1475	-5.75472	1.7851	HAL3	4842	0	0	0	0.09	
-4845	H12	SLES	1	19.2671	-5.38502	3.54882	HAL3	4842	0	0	0	0.09	
-4846	NA	SLES	1	35.8492	-25.3745	4.80126	NA	0	0	0	0	1	
-4847	S	SLES	1	35.2293	-23.1796	7.65585	SL	4848	4849	4850	4851	1.33	
-4848	OS1	SLES	1	34.3178	-23.1845	6.24996	OSL	4847	4852	0	0	-0.28	
-4849	OS2	SLES	1	35.1645	-24.5245	8.18923	O2L	4847	0	0	0	-0.65	
-4850	OS3	SLES	1	36.5867	-22.874	7.25481	O2L	4847	0	0	0	-0.65	
-4851	OS4	SLES	1	34.7837	-22.2266	8.6597	O2L	4847	0	0	0	-0.65	
-4852	C2	SLES	1	33.1076	-22.3312	6.41646	CC32A	4848	4853	4854	4855	-0.11	
-4853	H2A	SLES	1	32.5089	-22.6615	7.31063	HCA2	4852	0	0	0	0.09	
-4854	H2B	SLES	1	33.4394	-21.2674	6.57291	HCA2	4852	0	0	0	0.09	
-4855	C1	SLES	1	32.2054	-22.428	5.09645	CC32A	4852	4856	4857	4858	-0.01	
-4856	H1B	SLES	1	31.9488	-23.4925	4.88982	HCA2	4855	0	0	0	0.09	
-4857	H1A	SLES	1	32.7645	-22.0172	4.22361	HCA2	4855	0	0	0	0.09	
-4858	O1	SLES	1	30.8949	-21.7515	5.04282	OC30A	4855	4859	0	0	-0.34	
-4859	C2	SLES	1	30.6646	-20.7122	6.01716	CC32A	4858	4860	4861	4862	-0.01	
-4860	H2A	SLES	1	30.7555	-21.2714	6.96896	HCA2	4859	0	0	0	0.09	
-4861	H2B	SLES	1	31.5622	-20.0652	5.89416	HCA2	4859	0	0	0	0.09	
-4862	C1	SLES	1	29.3804	-19.8253	6.05567	CC32A	4859	4863	4864	4865	-0.01	
-4863	H1B	SLES	1	28.6169	-20.299	6.7105	HCA2	4862	0	0	0	0.09	
-4864	H1A	SLES	1	29.6356	-18.8297	6.47053	HCA2	4862	0	0	0	0.09	
-4865	O1	SLES	1	28.5619	-19.5452	4.8748	OC30A	4862	4866	0	0	-0.34	
-4866	C1	SLES	1	27.8656	-18.2457	4.89288	CTL2	4865	4867	4868	4869	-0.18	
-4867	H11	SLES	1	27.9723	-17.8329	5.91236	HAL2	4866	0	0	0	0.09	
-4868	H12	SLES	1	28.497	-17.6514	4.2005	HAL2	4866	0	0	0	0.09	
-4869	C2	SLES	1	26.3533	-18.1628	4.44301	CTL2	4866	4870	4871	4872	-0.18	
-4870	H21	SLES	1	25.991	-19.1848	4.19205	HAL2	4869	0	0	0	0.09	
-4871	H22	SLES	1	26.2831	-17.5395	3.52472	HAL2	4869	0	0	0	0.09	
-4872	C3	SLES	1	25.4071	-17.5356	5.57876	CTL2	4869	4873	4874	4875	-0.18	
-4873	H31	SLES	1	24.8314	-18.3557	6.06281	HAL2	4872	0	0	0	0.09	
-4874	H32	SLES	1	26.0401	-17.0608	6.35471	HAL2	4872	0	0	0	0.09	
-4875	C4	SLES	1	24.3911	-16.4583	5.01374	CTL2	4872	4876	4877	4878	-0.18	
-4876	H41	SLES	1	23.3879	-16.9242	4.92046	HAL2	4875	0	0	0	0.09	
-4877	H42	SLES	1	24.7185	-16.1446	3.99913	HAL2	4875	0	0	0	0.09	
-4878	C5	SLES	1	24.283	-15.1678	5.94529	CTL2	4875	4879	4880	4881	-0.18	
-4879	H51	SLES	1	24.682	-15.4137	6.95411	HAL2	4878	0	0	0	0.09	
-4880	H52	SLES	1	24.9144	-14.3567	5.51598	HAL2	4878	0	0	0	0.09	
-4881	C6	SLES	1	22.8059	-14.6416	6.09594	CTL2	4878	4882	4883	4884	-0.18	
-4882	H61	SLES	1	22.2333	-15.347	6.73906	HAL2	4881	0	0	0	0.09	
-4883	H62	SLES	1	22.8249	-13.6504	6.60639	HAL2	4881	0	0	0	0.09	
-4884	C7	SLES	1	22.0733	-14.4932	4.72495	CTL2	4881	4885	4886	4887	-0.18	
-4885	H71	SLES	1	21.6953	-15.4897	4.40591	HAL2	4884	0	0	0	0.09	
-4886	H72	SLES	1	22.8006	-14.1407	3.96	HAL2	4884	0	0	0	0.09	
-4887	C8	SLES	1	20.8855	-13.5008	4.78736	CTL2	4884	4888	4889	4890	-0.18	
-4888	H81	SLES	1	20.2762	-13.7187	5.69439	HAL2	4887	0	0	0	0.09	
-4889	H82	SLES	1	21.282	-12.4641	4.87998	HAL2	4887	0	0	0	0.09	
-4890	C9	SLES	1	19.9772	-13.5856	3.53513	CTL2	4887	4891	4892	4893	-0.18	
-4891	H91	SLES	1	19.605	-14.6296	3.42654	HAL2	4890	0	0	0	0.09	
-4892	H92	SLES	1	20.5804	-13.3404	2.63207	HAL2	4890	0	0	0	0.09	
-4893	C10	SLES	1	18.7674	-12.6243	3.61016	CTL2	4890	4894	4895	4896	-0.18	
-4894	H10	SLES	1	18.1509	-12.8844	4.50069	HAL2	4893	0	0	0	0.09	
-4895	H10	SLES	1	19.1383	-11.5825	3.74098	HAL2	4893	0	0	0	0.09	
-4896	C11	SLES	1	17.8769	-12.6896	2.341	CTL2	4893	4897	4898	4899	-0.18	
-4897	H11	SLES	1	17.5029	-13.7318	2.21839	HAL2	4896	0	0	0	0.09	
-4898	H11	SLES	1	18.5018	-12.4463	1.45148	HAL2	4896	0	0	0	0.09	
-4899	C12	SLES	1	16.6637	-11.7245	2.3784	CTL3	4896	4900	4901	4902	-0.27	
-4900	H12	SLES	1	15.713	-12.2952	2.29026	HAL3	4899	0	0	0	0.09	
-4901	H12	SLES	1	16.7209	-10.999	1.53713	HAL3	4899	0	0	0	0.09	
-4902	H12	SLES	1	16.6493	-11.1576	3.33475	HAL3	4899	0	0	0	0.09	
-4903	NA	SLES	1	26.8338	-34.8608	4.09357	NA	0	0	0	0	1	
-4904	S	SLES	1	26.1017	-33.2094	7.26966	SL	4905	4906	4907	4908	1.33	
-4905	OS1	SLES	1	25.564	-32.6712	5.77682	OSL	4904	4909	0	0	-0.28	
-4906	OS2	SLES	1	25.6035	-34.5609	7.42017	O2L	4904	0	0	0	-0.65	
-4907	OS3	SLES	1	27.5478	-33.2232	7.1959	O2L	4904	0	0	0	-0.65	
-4908	OS4	SLES	1	25.6715	-32.3948	8.3947	O2L	4904	0	0	0	-0.65	
-4909	C2	SLES	1	24.5815	-31.5644	5.95039	CC32A	4905	4910	4911	4912	-0.11	
-4910	H2A	SLES	1	23.7325	-31.8877	6.61508	HCA2	4909	0	0	0	0.09	
-4911	H2B	SLES	1	25.1071	-30.6921	6.42898	HCA2	4909	0	0	0	0.09	
-4912	C1	SLES	1	24.0113	-31.1324	4.51721	CC32A	4909	4913	4914	4915	-0.01	
-4913	H1B	SLES	1	23.5682	-32.0164	4.00338	HCA2	4912	0	0	0	0.09	
-4914	H1A	SLES	1	24.8367	-30.7268	3.88682	HCA2	4912	0	0	0	0.09	
-4915	O1	SLES	1	22.9436	-30.1184	4.41891	OC30A	4912	4916	0	0	-0.34	
-4916	C2	SLES	1	22.7438	-29.2773	5.57449	CC32A	4915	4917	4918	4919	-0.01	
-4917	H2A	SLES	1	22.4795	-30.0211	6.35157	HCA2	4916	0	0	0	0.09	
-4918	H2B	SLES	1	23.7711	-28.8982	5.77549	HCA2	4916	0	0	0	0.09	
-4919	C1	SLES	1	21.7288	-28.0921	5.62242	CC32A	4916	4920	4921	4922	-0.01	
-4920	H1B	SLES	1	20.746	-28.4548	5.99468	HCA2	4919	0	0	0	0.09	
-4921	H1A	SLES	1	22.1065	-27.3148	6.31642	HCA2	4919	0	0	0	0.09	
-4922	O1	SLES	1	21.2935	-27.3587	4.43272	OC30A	4919	4923	0	0	-0.34	
-4923	C1	SLES	1	20.9349	-25.9478	4.66668	CTL2	4922	4924	4925	4926	-0.18	
-4924	H11	SLES	1	20.8968	-25.7983	5.76093	HAL2	4923	0	0	0	0.09	
-4925	H12	SLES	1	21.8298	-25.4273	4.26744	HAL2	4923	0	0	0	0.09	
-4926	C2	SLES	1	19.6295	-25.3528	4.00461	CTL2	4923	4927	4928	4929	-0.18	
-4927	H21	SLES	1	19.1067	-26.1582	3.4417	HAL2	4926	0	0	0	0.09	
-4928	H22	SLES	1	19.9205	-24.5617	3.27937	HAL2	4926	0	0	0	0.09	
-4929	C3	SLES	1	18.6201	-24.7297	5.08682	CTL2	4926	4930	4931	4932	-0.18	
-4930	H31	SLES	1	17.7732	-25.4353	5.23917	HAL2	4929	0	0	0	0.09	
-4931	H32	SLES	1	19.1498	-24.6206	6.05417	HAL2	4929	0	0	0	0.09	
-4932	C4	SLES	1	18.0421	-23.3185	4.65483	CTL2	4929	4933	4934	4935	-0.18	
-4933	H41	SLES	1	17.0073	-23.4541	4.27679	HAL2	4932	0	0	0	0.09	
-4934	H42	SLES	1	18.6588	-22.9099	3.82545	HAL2	4932	0	0	0	0.09	
-4935	C5	SLES	1	18.0262	-22.2676	5.85493	CTL2	4932	4936	4937	4938	-0.18	
-4936	H51	SLES	1	18.113	-22.816	6.8189	HAL2	4935	0	0	0	0.09	
-4937	H52	SLES	1	18.911	-21.5973	5.76178	HAL2	4935	0	0	0	0.09	
-4938	C6	SLES	1	16.719	-21.3892	5.88422	CTL2	4935	4939	4940	4941	-0.18	
-4939	H61	SLES	1	15.865	-22.0205	6.21793	HAL2	4938	0	0	0	0.09	
-4940	H62	SLES	1	16.8505	-20.569	6.62814	HAL2	4938	0	0	0	0.09	
-4941	C7	SLES	1	16.378	-20.7647	4.49425	CTL2	4938	4942	4943	4944	-0.18	
-4942	H71	SLES	1	15.8619	-21.5278	3.87046	HAL2	4941	0	0	0	0.09	
-4943	H72	SLES	1	17.3237	-20.483	3.97993	HAL2	4941	0	0	0	0.09	
-4944	C8	SLES	1	15.4732	-19.5126	4.60836	CTL2	4941	4945	4946	4947	-0.18	
-4945	H81	SLES	1	14.6375	-19.7301	5.31243	HAL2	4944	0	0	0	0.09	
-4946	H82	SLES	1	16.0683	-18.6708	5.03017	HAL2	4944	0	0	0	0.09	
-4947	C9	SLES	1	14.8843	-19.0815	3.24171	CTL2	4944	4948	4949	4950	-0.18	
-4948	H91	SLES	1	14.3141	-19.9336	2.80692	HAL2	4947	0	0	0	0.09	
-4949	H92	SLES	1	15.7197	-18.8374	2.54742	HAL2	4947	0	0	0	0.09	
-4950	C10	SLES	1	13.9486	-17.8548	3.35613	CTL2	4947	4951	4952	4953	-0.18	
-4951	H10	SLES	1	13.1	-18.1066	4.0324	HAL2	4950	0	0	0	0.09	
-4952	H10	SLES	1	14.5119	-17.0089	3.81128	HAL2	4950	0	0	0	0.09	
-4953	C11	SLES	1	13.3851	-17.407	1.9814	CTL2	4950	4954	4955	4956	-0.18	
-4954	H11	SLES	1	12.8169	-18.2541	1.53344	HAL2	4953	0	0	0	0.09	
-4955	H11	SLES	1	14.2374	-17.1736	1.30317	HAL2	4953	0	0	0	0.09	
-4956	C12	SLES	1	12.4557	-16.1682	2.06041	CTL3	4953	4957	4958	4959	-0.27	
-4957	H12	SLES	1	11.4448	-16.4179	1.66917	HAL3	4956	0	0	0	0.09	
-4958	H12	SLES	1	12.8731	-15.3327	1.45629	HAL3	4956	0	0	0	0.09	
-4959	H12	SLES	1	12.3537	-15.8274	3.11376	HAL3	4956	0	0	0	0.09	
-4960	NA	SLES	1	15.4337	-41.2392	3.6348	NA	0	0	0	0	1	
-4961	S	SLES	1	14.2495	-39.8465	6.79843	SL	4962	4963	4964	4965	1.33	
-4962	OS1	SLES	1	14.3012	-39.0016	5.35248	OSL	4961	4966	0	0	-0.28	
-4963	OS2	SLES	1	13.4211	-41.0107	6.56171	O2L	4961	0	0	0	-0.65	
-4964	OS3	SLES	1	15.6102	-40.2583	7.07321	O2L	4961	0	0	0	-0.65	
-4965	OS4	SLES	1	13.7261	-39.0864	7.92218	O2L	4961	0	0	0	-0.65	
-4966	C2	SLES	1	13.604	-37.6923	5.49449	CC32A	4962	4967	4968	4969	-0.11	
-4967	H2A	SLES	1	12.55	-37.8413	5.86055	HCA2	4966	0	0	0	0.09	
-4968	H2B	SLES	1	14.1652	-37.0683	6.24407	HCA2	4966	0	0	0	0.09	
-4969	C1	SLES	1	13.5833	-36.9465	4.07703	CC32A	4966	4970	4971	4972	-0.01	
-4970	H1B	SLES	1	13.1058	-37.6006	3.3115	HCA2	4969	0	0	0	0.09	
-4971	H1A	SLES	1	14.6253	-36.7167	3.75376	HCA2	4969	0	0	0	0.09	
-4972	O1	SLES	1	12.8617	-35.6685	3.92204	OC30A	4969	4973	0	0	-0.34	
-4973	C2	SLES	1	12.5501	-34.952	5.13533	CC32A	4972	4974	4975	4976	-0.01	
-4974	H2A	SLES	1	11.9069	-35.6796	5.66795	HCA2	4973	0	0	0	0.09	
-4975	H2B	SLES	1	13.538	-34.9051	5.64647	HCA2	4973	0	0	0	0.09	
-4976	C1	SLES	1	11.877	-33.5437	5.16507	CC32A	4973	4977	4978	4979	-0.01	
-4977	H1B	SLES	1	10.7721	-33.657	5.21317	HCA2	4976	0	0	0	0.09	
-4978	H1A	SLES	1	12.2172	-32.9945	6.06577	HCA2	4976	0	0	0	0.09	
-4979	O1	SLES	1	11.9847	-32.5786	4.06972	OC30A	4976	4980	0	0	-0.34	
-4980	C1	SLES	1	11.9226	-31.1631	4.47768	CTL2	4979	4981	4982	4983	-0.18	
-4981	H11	SLES	1	11.6132	-31.1428	5.53837	HAL2	4980	0	0	0	0.09	
-4982	H12	SLES	1	12.9913	-30.8715	4.41317	HAL2	4980	0	0	0	0.09	
-4983	C2	SLES	1	11.0398	-30.1485	3.64853	CTL2	4980	4984	4985	4986	-0.18	
-4984	H21	SLES	1	10.521	-30.6994	2.83229	HAL2	4983	0	0	0	0.09	
-4985	H22	SLES	1	11.7044	-29.3896	3.18078	HAL2	4983	0	0	0	0.09	
-4986	C3	SLES	1	9.94475	-29.4023	4.55544	CTL2	4983	4987	4988	4989	-0.18	
-4987	H31	SLES	1	8.94633	-29.8535	4.36098	HAL2	4986	0	0	0	0.09	
-4988	H32	SLES	1	10.189	-29.5651	5.6241	HAL2	4986	0	0	0	0.09	
-4989	C4	SLES	1	9.86747	-27.8438	4.27715	CTL2	4986	4990	4991	4992	-0.18	
-4990	H41	SLES	1	8.98088	-27.6353	3.64262	HAL2	4989	0	0	0	0.09	
-4991	H42	SLES	1	10.7726	-27.5281	3.71494	HAL2	4989	0	0	0	0.09	
-4992	C5	SLES	1	9.76417	-26.9848	5.61737	CTL2	4989	4993	4994	4995	-0.18	
-4993	H51	SLES	1	9.44084	-27.6481	6.44979	HAL2	4992	0	0	0	0.09	
-4994	H52	SLES	1	10.7726	-26.5849	5.87047	HAL2	4992	0	0	0	0.09	
-4995	C6	SLES	1	8.75162	-25.7838	5.50009	CTL2	4992	4996	4997	4998	-0.18	
-4996	H61	SLES	1	7.7131	-26.1844	5.4908	HAL2	4995	0	0	0	0.09	
-4997	H62	SLES	1	8.85927	-25.1305	6.39735	HAL2	4995	0	0	0	0.09	
-4998	C7	SLES	1	8.97758	-24.9247	4.2159	CTL2	4995	4999	5000	5001	-0.18	
-4999	H71	SLES	1	8.49242	-25.4298	3.35149	HAL2	4998	0	0	0	0.09	
-5000	H72	SLES	1	10.069	-24.8608	4.00815	HAL2	4998	0	0	0	0.09	
-5001	C8	SLES	1	8.40411	-23.4918	4.34798	CTL2	4998	5002	5003	5004	-0.18	
-5002	H81	SLES	1	7.37661	-23.5486	4.77508	HAL2	5001	0	0	0	0.09	
-5003	H82	SLES	1	9.03866	-22.9095	5.05438	HAL2	5001	0	0	0	0.09	
-5004	C9	SLES	1	8.34705	-22.7496	2.98919	CTL2	5001	5005	5006	5007	-0.18	
-5005	H91	SLES	1	7.73681	-23.3472	2.27444	HAL2	5004	0	0	0	0.09	
-5006	H92	SLES	1	9.37786	-22.6686	2.57644	HAL2	5004	0	0	0	0.09	
-5007	C10	SLES	1	7.73866	-21.3323	3.10922	CTL2	5004	5008	5009	5010	-0.18	
-5008	H10	SLES	1	6.69889	-21.4148	3.50018	HAL2	5007	0	0	0	0.09	
-5009	H10	SLES	1	8.33523	-20.7412	3.84049	HAL2	5007	0	0	0	0.09	
-5010	C11	SLES	1	7.71138	-20.5804	1.75204	CTL2	5007	5011	5012	5013	-0.18	
-5011	H11	SLES	1	7.10793	-21.1722	1.02621	HAL2	5010	0	0	0	0.09	
-5012	H11	SLES	1	8.75082	-20.5163	1.35658	HAL2	5010	0	0	0	0.09	
-5013	C12	SLES	1	7.12185	-19.1491	1.84225	CTL3	5010	5014	5015	5016	-0.27	
-5014	H12	SLES	1	6.23393	-19.0543	1.17896	HAL3	5013	0	0	0	0.09	
-5015	H12	SLES	1	7.88029	-18.3982	1.52867	HAL3	5013	0	0	0	0.09	
-5016	H12	SLES	1	6.81043	-18.9237	2.8855	HAL3	5013	0	0	0	0.09	
-5017	NA	SLES	1	2.61222	-43.9721	3.42214	NA	0	0	0	0	1	
-5018	S	SLES	1	0.906902	-42.3937	6.2419	SL	5019	5020	5021	5022	1.33	
-5019	OS1	SLES	1	1.61195	-41.5568	4.97311	OSL	5018	5023	0	0	-0.28	
-5020	OS2	SLES	1	-0.0749646	-43.2795	5.65125	O2L	5018	0	0	0	-0.65	
-5021	OS3	SLES	1	1.96682	-43.1699	6.85082	O2L	5018	0	0	0	-0.65	
-5022	OS4	SLES	1	0.274058	-41.5498	7.24275	O2L	5018	0	0	0	-0.65	
-5023	C2	SLES	1	1.25992	-40.1109	5.04962	CC32A	5019	5024	5025	5026	-0.11	
-5024	H2A	SLES	1	0.142808	-39.9751	5.07778	HCA2	5023	0	0	0	0.09	
-5025	H2B	SLES	1	1.70259	-39.6849	5.9924	HCA2	5023	0	0	0	0.09	
-5026	C1	SLES	1	1.86465	-39.3502	3.77627	CC32A	5023	5027	5028	5029	-0.01	
-5027	H1B	SLES	1	1.49614	-39.8276	2.8392	HCA2	5026	0	0	0	0.09	
-5028	H1A	SLES	1	2.97807	-39.4061	3.79414	HCA2	5026	0	0	0	0.09	
-5029	O1	SLES	1	1.57352	-37.9197	3.5598	OC30A	5026	5030	0	0	-0.34	
-5030	C2	SLES	1	1.09644	-37.1781	4.70214	CC32A	5029	5031	5032	5033	-0.01	
-5031	H2A	SLES	1	0.158738	-37.7156	4.94426	HCA2	5030	0	0	0	0.09	
-5032	H2B	SLES	1	1.85776	-37.4174	5.47832	HCA2	5030	0	0	0	0.09	
-5033	C1	SLES	1	0.825996	-35.6405	4.68955	CC32A	5030	5034	5035	5036	-0.01	
-5034	H1B	SLES	1	-0.231195	-35.4479	4.40443	HCA2	5033	0	0	0	0.09	
-5035	H1A	SLES	1	1.00056	-35.23	5.70423	HCA2	5033	0	0	0	0.09	
-5036	O1	SLES	1	1.5052	-34.7128	3.78353	OC30A	5033	5037	0	0	-0.34	
-5037	C1	SLES	1	1.68106	-33.346	4.30769	CTL2	5036	5038	5039	5040	-0.18	
-5038	H11	SLES	1	1.07674	-33.2702	5.22977	HAL2	5037	0	0	0	0.09	
-5039	H12	SLES	1	2.75513	-33.3568	4.58614	HAL2	5037	0	0	0	0.09	
-5040	C2	SLES	1	1.38222	-32.1064	3.37469	CTL2	5037	5041	5042	5043	-0.18	
-5041	H21	SLES	1	1.01748	-32.4719	2.38869	HAL2	5040	0	0	0	0.09	
-5042	H22	SLES	1	2.32762	-31.5464	3.20388	HAL2	5040	0	0	0	0.09	
-5043	C3	SLES	1	0.287962	-31.1133	4.00295	CTL2	5040	5044	5045	5046	-0.18	
-5044	H31	SLES	1	-0.682534	-31.2683	3.48102	HAL2	5043	0	0	0	0.09	
-5045	H32	SLES	1	0.142836	-31.3655	5.07232	HAL2	5043	0	0	0	0.09	
-5046	C4	SLES	1	0.696727	-29.5864	3.88542	CTL2	5043	5047	5048	5049	-0.18	
-5047	H41	SLES	1	0.130809	-29.126	3.04884	HAL2	5046	0	0	0	0.09	
-5048	H42	SLES	1	1.77963	-29.5159	3.64587	HAL2	5046	0	0	0	0.09	
-5049	C5	SLES	1	0.40785	-28.7683	5.22408	CTL2	5046	5050	5051	5052	-0.18	
-5050	H51	SLES	1	-0.312122	-29.3397	5.85064	HAL2	5049	0	0	0	0.09	
-5051	H52	SLES	1	1.35655	-28.667	5.79911	HAL2	5049	0	0	0	0.09	
-5052	C6	SLES	1	-0.181341	-27.3331	4.95121	CTL2	5049	5053	5054	5055	-0.18	
-5053	H61	SLES	1	-1.23265	-27.4334	4.59939	HAL2	5052	0	0	0	0.09	
-5054	H62	SLES	1	-0.192741	-26.7587	5.9069	HAL2	5052	0	0	0	0.09	
-5055	C7	SLES	1	0.637509	-26.5346	3.8881	CTL2	5052	5056	5057	5058	-0.18	
-5056	H71	SLES	1	0.32994	-26.8641	2.87093	HAL2	5055	0	0	0	0.09	
-5057	H72	SLES	1	1.71877	-26.7667	4.01206	HAL2	5055	0	0	0	0.09	
-5058	C8	SLES	1	0.433295	-25.0035	4.00427	CTL2	5055	5059	5060	5061	-0.18	
-5059	H81	SLES	1	-0.654912	-24.7881	4.10817	HAL2	5058	0	0	0	0.09	
-5060	H82	SLES	1	0.945929	-24.6367	4.92256	HAL2	5058	0	0	0	0.09	
-5061	C9	SLES	1	0.985781	-24.2379	2.77586	CTL2	5058	5062	5063	5064	-0.18	
-5062	H91	SLES	1	0.494138	-24.6259	1.85496	HAL2	5061	0	0	0	0.09	
-5063	H92	SLES	1	2.07873	-24.4314	2.6892	HAL2	5061	0	0	0	0.09	
-5064	C10	SLES	1	0.749286	-22.7119	2.86881	CTL2	5061	5065	5066	5067	-0.18	
-5065	H10	SLES	1	-0.345568	-22.5167	2.932	HAL2	5064	0	0	0	0.09	
-5066	H10	SLES	1	1.22169	-22.3268	3.80077	HAL2	5064	0	0	0	0.09	
-5067	C11	SLES	1	1.33107	-21.9452	1.65158	CTL2	5064	5068	5069	5070	-0.18	
-5068	H11	SLES	1	0.850527	-22.3291	0.722723	HAL2	5067	0	0	0	0.09	
-5069	H11	SLES	1	2.42235	-22.1577	1.58201	HAL2	5067	0	0	0	0.09	
-5070	C12	SLES	1	1.12458	-20.41	1.72312	CTL3	5067	5071	5072	5073	-0.27	
-5071	H12	SLES	1	0.537517	-20.0577	0.846422	HAL3	5070	0	0	0	0.09	
-5072	H12	SLES	1	2.10664	-19.8876	1.72513	HAL3	5070	0	0	0	0.09	
-5073	H12	SLES	1	0.575626	-20.136	2.65033	HAL3	5070	0	0	0	0.09	
-5074	NA	SLES	1	-10.5559	-42.7657	3.42835	NA	0	0	0	0	1	
-5075	S	SLES	1	-12.5342	-40.6012	5.60822	SL	5076	5077	5078	5079	1.33	
-5076	OS1	SLES	1	-11.2817	-40.0697	4.6304	OSL	5075	5080	0	0	-0.28	
-5077	OS2	SLES	1	-13.4949	-41.2378	4.73123	O2L	5075	0	0	0	-0.65	
-5078	OS3	SLES	1	-11.958	-41.5832	6.50275	O2L	5075	0	0	0	-0.65	
-5079	OS4	SLES	1	-13.1847	-39.5526	6.37754	O2L	5075	0	0	0	-0.65	
-5080	C2	SLES	1	-11.2347	-38.5804	4.61553	CC32A	5076	5081	5082	5083	-0.11	
-5081	H2A	SLES	1	-12.228	-38.1549	4.30023	HCA2	5080	0	0	0	0.09	
-5082	H2B	SLES	1	-10.9974	-38.2202	5.65483	HCA2	5080	0	0	0	0.09	
-5083	C1	SLES	1	-10.0932	-38.0963	3.60138	CC32A	5080	5084	5085	5086	-0.01	
-5084	H1B	SLES	1	-10.2783	-38.5251	2.58961	HCA2	5083	0	0	0	0.09	
-5085	H1A	SLES	1	-9.09546	-38.4408	3.96048	HCA2	5083	0	0	0	0.09	
-5086	O1	SLES	1	-9.90681	-36.6585	3.32634	OC30A	5083	5087	0	0	-0.34	
-5087	C2	SLES	1	-10.485	-35.7392	4.27676	CC32A	5086	5088	5089	5090	-0.01	
-5088	H2A	SLES	1	-11.561	-35.9938	4.21057	HCA2	5087	0	0	0	0.09	
-5089	H2B	SLES	1	-10.0866	-36.1146	5.24616	HCA2	5087	0	0	0	0.09	
-5090	C1	SLES	1	-10.3119	-34.1894	4.20357	CC32A	5087	5091	5092	5093	-0.01	
-5091	H1B	SLES	1	-11.141	-33.747	3.60952	HCA2	5090	0	0	0	0.09	
-5092	H1A	SLES	1	-10.3455	-33.7687	5.22848	HCA2	5090	0	0	0	0.09	
-5093	O1	SLES	1	-9.16729	-33.5383	3.56419	OC30A	5090	5094	0	0	-0.34	
-5094	C1	SLES	1	-8.79334	-32.232	4.13661	CTL2	5093	5095	5096	5097	-0.18	
-5095	H11	SLES	1	-9.60229	-31.9358	4.82875	HAL2	5094	0	0	0	0.09	
-5096	H12	SLES	1	-7.89755	-32.5044	4.73213	HAL2	5094	0	0	0	0.09	
-5097	C2	SLES	1	-8.45064	-31.0263	3.17483	CTL2	5094	5098	5099	5100	-0.18	
-5098	H21	SLES	1	-8.58729	-31.3517	2.11928	HAL2	5097	0	0	0	0.09	
-5099	H22	SLES	1	-7.38295	-30.7471	3.31155	HAL2	5097	0	0	0	0.09	
-5100	C3	SLES	1	-9.37083	-29.7394	3.44974	CTL2	5097	5101	5102	5103	-0.18	
-5101	H31	SLES	1	-10.1437	-29.6708	2.65212	HAL2	5100	0	0	0	0.09	
-5102	H32	SLES	1	-9.89291	-29.8688	4.41871	HAL2	5100	0	0	0	0.09	
-5103	C4	SLES	1	-8.54788	-28.3852	3.48576	CTL2	5100	5104	5105	5106	-0.18	
-5104	H41	SLES	1	-8.68953	-27.8526	2.52226	HAL2	5103	0	0	0	0.09	
-5105	H42	SLES	1	-7.46648	-28.6181	3.5924	HAL2	5103	0	0	0	0.09	
-5106	C5	SLES	1	-8.99219	-27.4279	4.682	CTL2	5103	5107	5108	5109	-0.18	
-5107	H51	SLES	1	-9.9936	-27.7451	5.04809	HAL2	5106	0	0	0	0.09	
-5108	H52	SLES	1	-8.2697	-27.5387	5.52264	HAL2	5106	0	0	0	0.09	
-5109	C6	SLES	1	-9.06015	-25.9114	4.26157	CTL2	5106	5110	5111	5112	-0.18	
-5110	H61	SLES	1	-9.94321	-25.757	3.60168	HAL2	5109	0	0	0	0.09	
-5111	H62	SLES	1	-9.20177	-25.2883	5.17545	HAL2	5109	0	0	0	0.09	
-5112	C7	SLES	1	-7.77572	-25.4323	3.5139	CTL2	5109	5113	5114	5115	-0.18	
-5113	H71	SLES	1	-7.84097	-25.7403	2.44683	HAL2	5112	0	0	0	0.09	
-5114	H72	SLES	1	-6.88694	-25.9303	3.96149	HAL2	5112	0	0	0	0.09	
-5115	C8	SLES	1	-7.58238	-23.8969	3.58351	CTL2	5112	5116	5117	5118	-0.18	
-5116	H81	SLES	1	-8.55042	-23.397	3.35031	HAL2	5115	0	0	0	0.09	
-5117	H82	SLES	1	-7.28977	-23.6136	4.62022	HAL2	5115	0	0	0	0.09	
-5118	C9	SLES	1	-6.50086	-23.3913	2.5961	CTL2	5115	5119	5120	5121	-0.18	
-5119	H91	SLES	1	-6.77923	-23.7007	1.56307	HAL2	5118	0	0	0	0.09	
-5120	H92	SLES	1	-5.52772	-23.8702	2.84748	HAL2	5118	0	0	0	0.09	
-5121	C10	SLES	1	-6.33145	-21.854	2.6336	CTL2	5118	5122	5123	5124	-0.18	
-5122	H10	SLES	1	-7.29885	-21.3747	2.35933	HAL2	5121	0	0	0	0.09	
-5123	H10	SLES	1	-6.07479	-21.5416	3.67119	HAL2	5121	0	0	0	0.09	
-5124	C11	SLES	1	-5.22618	-21.3542	1.66585	CTL2	5121	5125	5126	5127	-0.18	
-5125	H11	SLES	1	-5.49091	-21.6631	0.628737	HAL2	5124	0	0	0	0.09	
-5126	H11	SLES	1	-4.26485	-21.8497	1.93271	HAL2	5124	0	0	0	0.09	
-5127	C12	SLES	1	-5.02043	-19.8175	1.69237	CTL3	5124	5128	5129	5130	-0.27	
-5128	H12	SLES	1	-5.19869	-19.3862	0.682636	HAL3	5127	0	0	0	0.09	
-5129	H12	SLES	1	-3.98128	-19.572	2.00423	HAL3	5127	0	0	0	0.09	
-5130	H12	SLES	1	-5.72655	-19.3447	2.40928	HAL3	5127	0	0	0	0.09	
-5131	NA	SLES	1	-22.915	-37.6031	3.60449	NA	0	0	0	0	1	
-5132	S	SLES	1	-24.6888	-34.6891	4.91316	SL	5133	5134	5135	5136	1.33	
-5133	OS1	SLES	1	-23.1251	-34.6544	4.31237	OSL	5132	5137	0	0	-0.28	
-5134	OS2	SLES	1	-25.5255	-35.1955	3.84497	O2L	5132	0	0	0	-0.65	
-5135	OS3	SLES	1	-24.676	-35.6279	6.01551	O2L	5132	0	0	0	-0.65	
-5136	OS4	SLES	1	-25.1891	-33.4011	5.36602	O2L	5132	0	0	0	-0.65	
-5137	C2	SLES	1	-22.6499	-33.2474	4.19087	CC32A	5133	5138	5139	5140	-0.11	
-5138	H2A	SLES	1	-23.3593	-32.6417	3.56075	HCA2	5137	0	0	0	0.09	
-5139	H2B	SLES	1	-22.6016	-32.7965	5.22075	HCA2	5137	0	0	0	0.09	
-5140	C1	SLES	1	-21.1925	-33.2358	3.52635	CC32A	5137	5141	5142	5143	-0.01	
-5141	H1B	SLES	1	-21.2197	-33.7608	2.54377	HCA2	5140	0	0	0	0.09	
-5142	H1A	SLES	1	-20.4673	-33.7582	4.19285	HCA2	5140	0	0	0	0.09	
-5143	O1	SLES	1	-20.5351	-31.9547	3.20305	OC30A	5140	5144	0	0	-0.34	
-5144	C2	SLES	1	-21.0537	-30.7792	3.86021	CC32A	5143	5145	5146	5147	-0.01	
-5145	H2A	SLES	1	-22.1003	-30.7617	3.49787	HCA2	5144	0	0	0	0.09	
-5146	H2B	SLES	1	-21.0501	-31.0822	4.93145	HCA2	5144	0	0	0	0.09	
-5147	C1	SLES	1	-20.4296	-29.3555	3.71585	CC32A	5144	5148	5149	5150	-0.01	
-5148	H1B	SLES	1	-20.9094	-28.8197	2.86806	HCA2	5147	0	0	0	0.09	
-5149	H1A	SLES	1	-20.6096	-28.781	4.64649	HCA2	5147	0	0	0	0.09	
-5150	O1	SLES	1	-19.02	-29.1251	3.39514	OC30A	5147	5151	0	0	-0.34	
-5151	C1	SLES	1	-18.451	-27.8808	3.94448	CTL2	5150	5152	5153	5154	-0.18	
-5152	H11	SLES	1	-19.2931	-27.2832	4.33807	HAL2	5151	0	0	0	0.09	
-5153	H12	SLES	1	-17.8612	-28.2708	4.79966	HAL2	5151	0	0	0	0.09	
-5154	C2	SLES	1	-17.5355	-26.9709	3.03334	CTL2	5151	5155	5156	5157	-0.18	
-5155	H21	SLES	1	-17.4768	-27.4165	2.01512	HAL2	5154	0	0	0	0.09	
-5156	H22	SLES	1	-16.5081	-26.9515	3.4583	HAL2	5154	0	0	0	0.09	
-5157	C3	SLES	1	-18.0854	-25.4668	2.91624	CTL2	5154	5158	5159	5160	-0.18	
-5158	H31	SLES	1	-18.5674	-25.3347	1.92198	HAL2	5157	0	0	0	0.09	
-5159	H32	SLES	1	-18.8586	-25.3032	3.69317	HAL2	5157	0	0	0	0.09	
-5160	C4	SLES	1	-16.9479	-24.376	3.08503	CTL2	5157	5161	5162	5163	-0.18	
-5161	H41	SLES	1	-16.6715	-23.9866	2.08298	HAL2	5160	0	0	0	0.09	
-5162	H42	SLES	1	-16.0471	-24.8536	3.52717	HAL2	5160	0	0	0	0.09	
-5163	C5	SLES	1	-17.397	-23.1585	4.01276	CTL2	5160	5164	5165	5166	-0.18	
-5164	H51	SLES	1	-18.5068	-23.1501	4.0889	HAL2	5163	0	0	0	0.09	
-5165	H52	SLES	1	-16.9849	-23.3113	5.03638	HAL2	5163	0	0	0	0.09	
-5166	C6	SLES	1	-16.913	-21.7615	3.46907	CTL2	5163	5167	5168	5169	-0.18	
-5167	H61	SLES	1	-17.508	-21.4977	2.56606	HAL2	5166	0	0	0	0.09	
-5168	H62	SLES	1	-17.105	-20.9845	4.24549	HAL2	5166	0	0	0	0.09	
-5169	C7	SLES	1	-15.3955	-21.7479	3.10097	CTL2	5166	5170	5171	5172	-0.18	
-5170	H71	SLES	1	-15.2631	-22.1967	2.09161	HAL2	5169	0	0	0	0.09	
-5171	H72	SLES	1	-14.8381	-22.3753	3.83173	HAL2	5169	0	0	0	0.09	
-5172	C8	SLES	1	-14.7945	-20.3202	3.09963	CTL2	5169	5173	5174	5175	-0.18	
-5173	H81	SLES	1	-15.4809	-19.6367	2.54907	HAL2	5172	0	0	0	0.09	
-5174	H82	SLES	1	-14.7168	-19.9572	4.14976	HAL2	5172	0	0	0	0.09	
-5175	C9	SLES	1	-13.3932	-20.2686	2.44094	CTL2	5172	5176	5177	5178	-0.18	
-5176	H91	SLES	1	-13.4663	-20.6596	1.40067	HAL2	5175	0	0	0	0.09	
-5177	H92	SLES	1	-12.7009	-20.9305	3.0086	HAL2	5175	0	0	0	0.09	
-5178	C10	SLES	1	-12.8052	-18.8382	2.40178	CTL2	5175	5179	5180	5181	-0.18	
-5179	H10	SLES	1	-13.4861	-18.1811	1.81403	HAL2	5178	0	0	0	0.09	
-5180	H10	SLES	1	-12.7524	-18.4382	3.43969	HAL2	5178	0	0	0	0.09	
-5181	C11	SLES	1	-11.3889	-18.795	1.76934	CTL2	5178	5182	5183	5184	-0.18	
-5182	H11	SLES	1	-11.4482	-19.1896	0.729209	HAL2	5181	0	0	0	0.09	
-5183	H11	SLES	1	-10.7163	-19.4673	2.34956	HAL2	5181	0	0	0	0.09	
-5184	C12	SLES	1	-10.7647	-17.3761	1.73059	CTL3	5181	5185	5186	5187	-0.27	
-5185	H12	SLES	1	-10.5389	-17.0816	0.681934	HAL3	5184	0	0	0	0.09	
-5186	H12	SLES	1	-9.81936	-17.3535	2.31641	HAL3	5184	0	0	0	0.09	
-5187	H12	SLES	1	-11.4679	-16.6319	2.16395	HAL3	5184	0	0	0	0.09	
-5188	NA	SLES	1	-33.2839	-28.7953	3.88484	NA	0	0	0	0	1	
-5189	S	SLES	1	-34.3368	-25.3088	4.17852	SL	5190	5191	5192	5193	1.33	
-5190	OS1	SLES	1	-32.7462	-25.8059	4.0046	OSL	5189	5194	0	0	-0.28	
-5191	OS2	SLES	1	-35.0543	-25.8274	3.03235	O2L	5189	0	0	0	-0.65	
-5192	OS3	SLES	1	-34.8245	-25.9354	5.38934	O2L	5189	0	0	0	-0.65	
-5193	OS4	SLES	1	-34.5121	-23.8677	4.26208	O2L	5189	0	0	0	-0.65	
-5194	C2	SLES	1	-31.8603	-24.6303	3.77335	CC32A	5190	5195	5196	5197	-0.11	
-5195	H2A	SLES	1	-32.2165	-24.0327	2.88839	HCA2	5194	0	0	0	0.09	
-5196	H2B	SLES	1	-31.8877	-23.9769	4.68907	HCA2	5194	0	0	0	0.09	
-5197	C1	SLES	1	-30.3631	-25.1377	3.51529	CC32A	5194	5198	5199	5200	-0.01	
-5198	H1B	SLES	1	-30.3475	-25.8549	2.66256	HCA2	5197	0	0	0	0.09	
-5199	H1A	SLES	1	-29.9747	-25.6525	4.42484	HCA2	5197	0	0	0	0.09	
-5200	O1	SLES	1	-29.3041	-24.173	3.16042	OC30A	5197	5201	0	0	-0.34	
-5201	C2	SLES	1	-29.5708	-22.7852	3.45263	CC32A	5200	5202	5203	5204	-0.01	
-5202	H2A	SLES	1	-30.4701	-22.5937	2.83501	HCA2	5201	0	0	0	0.09	
-5203	H2B	SLES	1	-29.872	-22.8194	4.52383	HCA2	5201	0	0	0	0.09	
-5204	C1	SLES	1	-28.5363	-21.6364	3.23525	CC32A	5201	5205	5206	5207	-0.01	
-5205	H1B	SLES	1	-28.6554	-21.2126	2.21431	HCA2	5204	0	0	0	0.09	
-5206	H1A	SLES	1	-28.7202	-20.8332	3.97672	HCA2	5204	0	0	0	0.09	
-5207	O1	SLES	1	-27.0877	-21.8455	3.25483	OC30A	5204	5208	0	0	-0.34	
-5208	C1	SLES	1	-26.2969	-20.6886	3.71343	CTL2	5207	5209	5210	5211	-0.18	
-5209	H11	SLES	1	-26.9845	-19.8254	3.76935	HAL2	5208	0	0	0	0.09	
-5210	H12	SLES	1	-26.0334	-21.001	4.74507	HAL2	5208	0	0	0	0.09	
-5211	C2	SLES	1	-24.9894	-20.275	2.92885	CTL2	5208	5212	5213	5214	-0.18	
-5212	H21	SLES	1	-24.863	-20.9473	2.05092	HAL2	5211	0	0	0	0.09	
-5213	H22	SLES	1	-24.1095	-20.4124	3.59484	HAL2	5211	0	0	0	0.09	
-5214	C3	SLES	1	-25.0327	-18.7523	2.42086	CTL2	5211	5215	5216	5217	-0.18	
-5215	H31	SLES	1	-25.2442	-18.7417	1.32842	HAL2	5214	0	0	0	0.09	
-5216	H32	SLES	1	-25.8616	-18.224	2.9327	HAL2	5214	0	0	0	0.09	
-5217	C4	SLES	1	-23.6805	-17.9704	2.69017	CTL2	5214	5218	5219	5220	-0.18	
-5218	H41	SLES	1	-23.106	-17.9084	1.7424	HAL2	5217	0	0	0	0.09	
-5219	H42	SLES	1	-23.0699	-18.5393	3.424	HAL2	5217	0	0	0	0.09	
-5220	C5	SLES	1	-23.9241	-16.4968	3.25056	CTL2	5217	5221	5222	5223	-0.18	
-5221	H51	SLES	1	-24.9729	-16.1952	3.03526	HAL2	5220	0	0	0	0.09	
-5222	H52	SLES	1	-23.7898	-16.5025	4.3564	HAL2	5220	0	0	0	0.09	
-5223	C6	SLES	1	-22.9484	-15.432	2.6217	CTL2	5220	5224	5225	5226	-0.18	
-5224	H61	SLES	1	-23.2446	-15.2481	1.56458	HAL2	5223	0	0	0	0.09	
-5225	H62	SLES	1	-23.0525	-14.4718	3.1791	HAL2	5223	0	0	0	0.09	
-5226	C7	SLES	1	-21.4539	-15.8828	2.66075	CTL2	5223	5227	5228	5229	-0.18	
-5227	H71	SLES	1	-21.2612	-16.5744	1.81083	HAL2	5226	0	0	0	0.09	
-5228	H72	SLES	1	-21.2662	-16.4394	3.60589	HAL2	5226	0	0	0	0.09	
-5229	C8	SLES	1	-20.4685	-14.6908	2.57274	CTL2	5226	5230	5231	5232	-0.18	
-5230	H81	SLES	1	-20.796	-14.0071	1.75622	HAL2	5229	0	0	0	0.09	
-5231	H82	SLES	1	-20.4984	-14.1225	3.5302	HAL2	5229	0	0	0	0.09	
-5232	C9	SLES	1	-19.0129	-15.1453	2.29901	CTL2	5229	5233	5234	5235	-0.18	
-5233	H91	SLES	1	-18.9888	-15.7387	1.35684	HAL2	5232	0	0	0	0.09	
-5234	H92	SLES	1	-18.6768	-15.8061	3.12964	HAL2	5232	0	0	0	0.09	
-5235	C10	SLES	1	-18.0312	-13.9564	2.1712	CTL2	5232	5236	5237	5238	-0.18	
-5236	H10	SLES	1	-18.354	-13.3076	1.32521	HAL2	5235	0	0	0	0.09	
-5237	H10	SLES	1	-18.0711	-13.35	3.10433	HAL2	5235	0	0	0	0.09	
-5238	C11	SLES	1	-16.5694	-14.4163	1.92773	CTL2	5235	5239	5240	5241	-0.18	
-5239	H11	SLES	1	-16.5336	-15.0165	0.989866	HAL2	5238	0	0	0	0.09	
-5240	H11	SLES	1	-16.2574	-15.0791	2.76699	HAL2	5238	0	0	0	0.09	
-5241	C12	SLES	1	-15.5574	-13.2471	1.81159	CTL3	5238	5242	5243	5244	-0.27	
-5242	H12	SLES	1	-15.0491	-13.2727	0.822502	HAL3	5241	0	0	0	0.09	
-5243	H12	SLES	1	-14.7855	-13.3234	2.60888	HAL3	5241	0	0	0	0.09	
-5244	H12	SLES	1	-16.0798	-12.2712	1.91634	HAL3	5241	0	0	0	0.09	
-5245	NA	SLES	1	-40.5544	-17.0246	4.19346	NA	0	0	0	0	1	
-5246	S	SLES	1	-40.55	-13.4515	3.42997	SL	5247	5248	5249	5250	1.33	
-5247	OS1	SLES	1	-39.1702	-14.3653	3.69167	OSL	5246	5251	0	0	-0.28	
-5248	OS2	SLES	1	-41.2496	-14.0753	2.32593	O2L	5246	0	0	0	-0.65	
-5249	OS3	SLES	1	-41.3405	-13.5605	4.6382	O2L	5246	0	0	0	-0.65	
-5250	OS4	SLES	1	-40.2975	-12.0515	3.12864	O2L	5246	0	0	0	-0.65	
-5251	C2	SLES	1	-37.9542	-13.5706	3.35993	CC32A	5247	5252	5253	5254	-0.11	
-5252	H2A	SLES	1	-38.0102	-13.1805	2.30549	HCA2	5251	0	0	0	0.09	
-5253	H2B	SLES	1	-37.8933	-12.6984	4.06833	HCA2	5251	0	0	0	0.09	
-5254	C1	SLES	1	-36.656	-14.4941	3.52603	CC32A	5251	5255	5256	5257	-0.01	
-5255	H1B	SLES	1	-36.7544	-15.4042	2.89062	HCA2	5254	0	0	0	0.09	
-5256	H1A	SLES	1	-36.5477	-14.8088	4.59015	HCA2	5254	0	0	0	0.09	
-5257	O1	SLES	1	-35.3242	-13.9737	3.16097	OC30A	5254	5258	0	0	-0.34	
-5258	C2	SLES	1	-35.1986	-12.5401	3.05326	CC32A	5257	5259	5260	5261	-0.01	
-5259	H2A	SLES	1	-35.9213	-12.3106	2.24587	HCA2	5258	0	0	0	0.09	
-5260	H2B	SLES	1	-35.6198	-12.1891	4.02214	HCA2	5258	0	0	0	0.09	
-5261	C1	SLES	1	-33.8514	-11.804	2.76988	CC32A	5258	5262	5263	5264	-0.01	
-5262	H1B	SLES	1	-33.7184	-11.6737	1.6738	HCA2	5261	0	0	0	0.09	
-5263	H1A	SLES	1	-33.8739	-10.8034	3.24624	HCA2	5261	0	0	0	0.09	
-5264	O1	SLES	1	-32.5431	-12.3604	3.11888	OC30A	5261	5265	0	0	-0.34	
-5265	C1	SLES	1	-31.5037	-11.3618	3.42943	CTL2	5264	5266	5267	5268	-0.18	
-5266	H11	SLES	1	-31.9052	-10.3732	3.14189	HAL2	5265	0	0	0	0.09	
-5267	H12	SLES	1	-31.468	-11.4228	4.5368	HAL2	5265	0	0	0	0.09	
-5268	C2	SLES	1	-30.0498	-11.5364	2.83631	CTL2	5265	5269	5270	5271	-0.18	
-5269	H21	SLES	1	-30.0269	-12.4405	2.18757	HAL2	5268	0	0	0	0.09	
-5270	H22	SLES	1	-29.3351	-11.6971	3.67293	HAL2	5268	0	0	0	0.09	
-5271	C3	SLES	1	-29.5785	-10.2636	1.97823	CTL2	5268	5272	5273	5274	-0.18	
-5272	H31	SLES	1	-29.6477	-10.5119	0.895724	HAL2	5271	0	0	0	0.09	
-5273	H32	SLES	1	-30.267	-9.41834	2.17766	HAL2	5271	0	0	0	0.09	
-5274	C4	SLES	1	-28.0964	-9.80836	2.30751	CTL2	5271	5275	5276	5277	-0.18	
-5275	H41	SLES	1	-27.4224	-10.168	1.50217	HAL2	5274	0	0	0	0.09	
-5276	H42	SLES	1	-27.7731	-10.2799	3.26048	HAL2	5274	0	0	0	0.09	
-5277	C5	SLES	1	-27.9549	-8.22485	2.43871	CTL2	5274	5278	5279	5280	-0.18	
-5278	H51	SLES	1	-28.8339	-7.74072	1.95858	HAL2	5277	0	0	0	0.09	
-5279	H52	SLES	1	-27.9591	-7.94852	3.51786	HAL2	5277	0	0	0	0.09	
-5280	C6	SLES	1	-26.64	-7.6689	1.77283	CTL2	5277	5281	5282	5283	-0.18	
-5281	H61	SLES	1	-26.742	-7.72549	0.665824	HAL2	5280	0	0	0	0.09	
-5282	H62	SLES	1	-26.5186	-6.59608	2.05173	HAL2	5280	0	0	0	0.09	
-5283	C7	SLES	1	-25.3625	-8.45464	2.20737	CTL2	5280	5284	5285	5286	-0.18	
-5284	H71	SLES	1	-25.2859	-9.38537	1.6027	HAL2	5283	0	0	0	0.09	
-5285	H72	SLES	1	-25.461	-8.74678	3.27662	HAL2	5283	0	0	0	0.09	
-5286	C8	SLES	1	-24.0641	-7.62924	2.02718	CTL2	5283	5287	5288	5289	-0.18	
-5287	H81	SLES	1	-24.0754	-7.14735	1.02266	HAL2	5286	0	0	0	0.09	
-5288	H82	SLES	1	-24.0359	-6.8231	2.79527	HAL2	5286	0	0	0	0.09	
-5289	C9	SLES	1	-22.7878	-8.49782	2.15759	CTL2	5286	5290	5291	5292	-0.18	
-5290	H91	SLES	1	-22.8309	-9.32123	1.40894	HAL2	5289	0	0	0	0.09	
-5291	H92	SLES	1	-22.7633	-8.95666	3.17168	HAL2	5289	0	0	0	0.09	
-5292	C10	SLES	1	-21.4893	-7.68567	1.93956	CTL2	5289	5293	5294	5295	-0.18	
-5293	H10	SLES	1	-21.503	-7.24569	0.916327	HAL2	5292	0	0	0	0.09	
-5294	H10	SLES	1	-21.4562	-6.84878	2.67343	HAL2	5292	0	0	0	0.09	
-5295	C11	SLES	1	-20.2122	-8.55222	2.10128	CTL2	5292	5296	5297	5298	-0.18	
-5296	H11	SLES	1	-20.2467	-9.38371	1.36063	HAL2	5295	0	0	0	0.09	
-5297	H11	SLES	1	-20.2121	-9.00431	3.11939	HAL2	5295	0	0	0	0.09	
-5298	C12	SLES	1	-18.8922	-7.76263	1.90494	CTL3	5295	5299	5300	5301	-0.27	
-5299	H12	SLES	1	-18.3021	-8.19811	1.06859	HAL3	5298	0	0	0	0.09	
-5300	H12	SLES	1	-18.2769	-7.80189	2.83085	HAL3	5298	0	0	0	0.09	
-5301	H12	SLES	1	-19.1093	-6.69813	1.66869	HAL3	5298	0	0	0	0.09	
-5302	NA	SLES	1	-43.8298	-3.3491	4.45167	NA	0	0	0	0	1	
-5303	S	SLES	1	-42.7744	-0.324387	2.69449	SL	5304	5305	5306	5307	1.33	
-5304	OS1	SLES	1	-41.7243	-1.44851	3.35864	OSL	5303	5308	0	0	-0.28	
-5305	OS2	SLES	1	-43.5994	-1.0458	1.74771	O2L	5303	0	0	0	-0.65	
-5306	OS3	SLES	1	-43.5897	0.160653	3.78836	O2L	5303	0	0	0	-0.65	
-5307	OS4	SLES	1	-42.1208	0.792623	2.03147	O2L	5303	0	0	0	-0.65	
-5308	C2	SLES	1	-40.3232	-1.15214	2.94718	CC32A	5304	5309	5310	5311	-0.11	
-5309	H2A	SLES	1	-40.24	-1.10584	1.82553	HCA2	5308	0	0	0	0.09	
-5310	H2B	SLES	1	-40.0285	-0.154307	3.37585	HCA2	5308	0	0	0	0.09	
-5311	C1	SLES	1	-39.3519	-2.29266	3.51426	CC32A	5308	5312	5313	5314	-0.01	
-5312	H1B	SLES	1	-39.695	-3.29257	3.16184	HCA2	5311	0	0	0	0.09	
-5313	H1A	SLES	1	-39.3634	-2.28125	4.62911	HCA2	5311	0	0	0	0.09	
-5314	O1	SLES	1	-37.9185	-2.28803	3.16301	OC30A	5311	5315	0	0	-0.34	
-5315	C2	SLES	1	-37.3811	-1.04656	2.66049	CC32A	5314	5316	5317	5318	-0.01	
-5316	H2A	SLES	1	-37.988	-0.891599	1.74699	HCA2	5315	0	0	0	0.09	
-5317	H2B	SLES	1	-37.7045	-0.314621	3.43445	HCA2	5315	0	0	0	0.09	
-5318	C1	SLES	1	-35.8724	-0.824023	2.32635	CC32A	5315	5319	5320	5321	-0.01	
-5319	H1B	SLES	1	-35.6827	-1.07847	1.26084	HCA2	5318	0	0	0	0.09	
-5320	H1A	SLES	1	-35.6152	0.241937	2.4881	HCA2	5318	0	0	0	0.09	
-5321	O1	SLES	1	-34.7894	-1.57582	2.96249	OC30A	5318	5322	0	0	-0.34	
-5322	C1	SLES	1	-33.5128	-0.848083	3.08368	CTL2	5321	5323	5324	5325	-0.18	
-5323	H11	SLES	1	-33.6044	0.0734621	2.48074	HAL2	5322	0	0	0	0.09	
-5324	H12	SLES	1	-33.5213	-0.57234	4.15847	HAL2	5322	0	0	0	0.09	
-5325	C2	SLES	1	-32.1586	-1.58079	2.72956	CTL2	5322	5326	5327	5328	-0.18	
-5326	H21	SLES	1	-32.3836	-2.6119	2.37604	HAL2	5325	0	0	0	0.09	
-5327	H22	SLES	1	-31.54	-1.66183	3.65012	HAL2	5325	0	0	0	0.09	
-5328	C3	SLES	1	-31.3199	-0.810092	1.59771	CTL2	5325	5329	5330	5331	-0.18	
-5329	H31	SLES	1	-31.4334	-1.35162	0.632242	HAL2	5328	0	0	0	0.09	
-5330	H32	SLES	1	-31.7387	0.207726	1.46783	HAL2	5328	0	0	0	0.09	
-5331	C4	SLES	1	-29.7773	-0.691469	1.94218	CTL2	5328	5332	5333	5334	-0.18	
-5332	H41	SLES	1	-29.2182	-1.44881	1.354	HAL2	5331	0	0	0	0.09	
-5333	H42	SLES	1	-29.6258	-0.915136	3.02017	HAL2	5331	0	0	0	0.09	
-5334	C5	SLES	1	-29.1866	0.756117	1.62537	CTL2	5331	5335	5336	5337	-0.18	
-5335	H51	SLES	1	-29.8768	1.28624	0.932479	HAL2	5334	0	0	0	0.09	
-5336	H52	SLES	1	-29.1351	1.34184	2.57153	HAL2	5334	0	0	0	0.09	
-5337	C6	SLES	1	-27.7524	0.705098	0.975878	CTL2	5334	5338	5339	5340	-0.18	
-5338	H61	SLES	1	-27.8414	0.339887	-0.0718705	HAL2	5337	0	0	0	0.09	
-5339	H62	SLES	1	-27.3321	1.73749	0.944766	HAL2	5337	0	0	0	0.09	
-5340	C7	SLES	1	-26.7671	-0.221432	1.75623	CTL2	5337	5341	5342	5343	-0.18	
-5341	H71	SLES	1	-26.9494	-1.2777	1.45821	HAL2	5340	0	0	0	0.09	
-5342	H72	SLES	1	-26.9701	-0.132238	2.84672	HAL2	5340	0	0	0	0.09	
-5343	C8	SLES	1	-25.2817	0.127501	1.48909	CTL2	5340	5344	5345	5346	-0.18	
-5344	H81	SLES	1	-25.1303	0.260912	0.393328	HAL2	5343	0	0	0	0.09	
-5345	H82	SLES	1	-25.0387	1.09222	1.99001	HAL2	5343	0	0	0	0.09	
-5346	C9	SLES	1	-24.3146	-0.96797	2.00396	CTL2	5343	5347	5348	5349	-0.18	
-5347	H91	SLES	1	-24.5772	-1.93847	1.52487	HAL2	5346	0	0	0	0.09	
-5348	H92	SLES	1	-24.4468	-1.08098	3.10362	HAL2	5346	0	0	0	0.09	
-5349	C10	SLES	1	-22.832	-0.642833	1.70467	CTL2	5346	5350	5351	5352	-0.18	
-5350	H10	SLES	1	-22.6947	-0.552771	0.602938	HAL2	5349	0	0	0	0.09	
-5351	H10	SLES	1	-22.5748	0.338112	2.1647	HAL2	5349	0	0	0	0.09	
-5352	C11	SLES	1	-21.8644	-1.72703	2.24881	CTL2	5349	5353	5354	5355	-0.18	
-5353	H11	SLES	1	-22.1212	-2.70473	1.78062	HAL2	5352	0	0	0	0.09	
-5354	H11	SLES	1	-22.018	-1.82607	3.34768	HAL2	5352	0	0	0	0.09	
-5355	C12	SLES	1	-20.3682	-1.42158	1.97903	CTL3	5352	5356	5357	5358	-0.27	
-5356	H12	SLES	1	-19.9106	-2.23518	1.37405	HAL3	5355	0	0	0	0.09	
-5357	H12	SLES	1	-19.8118	-1.33752	2.93854	HAL3	5355	0	0	0	0.09	
-5358	H12	SLES	1	-20.2626	-0.464484	1.4232	HAL3	5355	0	0	0	0.09	
-5359	NA	SLES	1	-42.5804	10.8611	4.58581	NA	0	0	0	0	1	
-5360	S	SLES	1	-40.8608	12.7835	1.99773	SL	5361	5362	5363	5364	1.33	
-5361	OS1	SLES	1	-40.1175	11.6586	2.99256	OSL	5360	5365	0	0	-0.28	
-5362	OS2	SLES	1	-41.9216	12.0799	1.30703	O2L	5360	0	0	0	-0.65	
-5363	OS3	SLES	1	-41.4258	13.7867	2.87576	O2L	5360	0	0	0	-0.65	
-5364	OS4	SLES	1	-39.9741	13.4135	1.03266	O2L	5360	0	0	0	-0.65	
-5365	C2	SLES	1	-38.7238	11.4029	2.53157	CC32A	5361	5366	5367	5368	-0.11	
-5366	H2A	SLES	1	-38.7148	11.0849	1.45179	HCA2	5365	0	0	0	0.09	
-5367	H2B	SLES	1	-38.1328	12.3548	2.63598	HCA2	5365	0	0	0	0.09	
-5368	C1	SLES	1	-38.0678	10.2567	3.43791	CC32A	5365	5369	5370	5371	-0.01	
-5369	H1B	SLES	1	-38.7002	9.33969	3.40592	HCA2	5368	0	0	0	0.09	
-5370	H1A	SLES	1	-37.9927	10.6046	4.49453	HCA2	5368	0	0	0	0.09	
-5371	O1	SLES	1	-36.7197	9.74436	3.12471	OC30A	5368	5372	0	0	-0.34	
-5372	C2	SLES	1	-35.8978	10.5691	2.27207	CC32A	5371	5373	5374	5375	-0.01	
-5373	H2A	SLES	1	-36.5041	10.6102	1.34601	HCA2	5372	0	0	0	0.09	
-5374	H2B	SLES	1	-35.9469	11.5598	2.77731	HCA2	5372	0	0	0	0.09	
-5375	C1	SLES	1	-34.4158	10.2385	1.90907	CC32A	5372	5376	5377	5378	-0.01	
-5376	H1B	SLES	1	-34.3839	9.6331	0.977142	HCA2	5375	0	0	0	0.09	
-5377	H1A	SLES	1	-33.8616	11.1831	1.73801	HCA2	5375	0	0	0	0.09	
-5378	O1	SLES	1	-33.5398	9.43459	2.76289	OC30A	5375	5379	0	0	-0.34	
-5379	C1	SLES	1	-32.106	9.76682	2.67346	CTL2	5378	5380	5381	5382	-0.18	
-5380	H11	SLES	1	-31.9829	10.4508	1.81425	HAL2	5379	0	0	0	0.09	
-5381	H12	SLES	1	-31.9577	10.3424	3.61046	HAL2	5379	0	0	0	0.09	
-5382	C2	SLES	1	-31.0385	8.60551	2.58379	CTL2	5379	5383	5384	5385	-0.18	
-5383	H21	SLES	1	-31.5665	7.62593	2.56221	HAL2	5382	0	0	0	0.09	
-5384	H22	SLES	1	-30.4001	8.63038	3.49394	HAL2	5382	0	0	0	0.09	
-5385	C3	SLES	1	-30.1055	8.72674	1.28256	CTL2	5382	5386	5387	5388	-0.18	
-5386	H31	SLES	1	-30.4364	7.97712	0.529637	HAL2	5385	0	0	0	0.09	
-5387	H32	SLES	1	-30.2339	9.73397	0.838473	HAL2	5385	0	0	0	0.09	
-5388	C4	SLES	1	-28.5694	8.49544	1.59755	CTL2	5385	5389	5390	5391	-0.18	
-5389	H41	SLES	1	-28.2878	7.46962	1.28052	HAL2	5388	0	0	0	0.09	
-5390	H42	SLES	1	-28.4063	8.57173	2.69418	HAL2	5388	0	0	0	0.09	
-5391	C5	SLES	1	-27.6255	9.54805	0.858778	CTL2	5388	5392	5393	5394	-0.18	
-5392	H51	SLES	1	-28.191	10.0206	0.025488	HAL2	5391	0	0	0	0.09	
-5393	H52	SLES	1	-27.3433	10.3499	1.57873	HAL2	5391	0	0	0	0.09	
-5394	C6	SLES	1	-26.3142	8.89545	0.279102	CTL2	5391	5395	5396	5397	-0.18	
-5395	H61	SLES	1	-26.5787	8.27452	-0.606092	HAL2	5394	0	0	0	0.09	
-5396	H62	SLES	1	-25.6275	9.70485	-0.0624944	HAL2	5394	0	0	0	0.09	
-5397	C7	SLES	1	-25.5695	8.0038	1.32248	CTL2	5394	5398	5399	5400	-0.18	
-5398	H71	SLES	1	-26.0594	7.00571	1.36211	HAL2	5397	0	0	0	0.09	
-5399	H72	SLES	1	-25.6581	8.47017	2.32895	HAL2	5397	0	0	0	0.09	
-5400	C8	SLES	1	-24.0698	7.81504	0.983834	CTL2	5397	5401	5402	5403	-0.18	
-5401	H81	SLES	1	-23.9692	7.56443	-0.0971315	HAL2	5400	0	0	0	0.09	
-5402	H82	SLES	1	-23.5321	8.77329	1.16637	HAL2	5400	0	0	0	0.09	
-5403	C9	SLES	1	-23.4092	6.69532	1.82656	CTL2	5400	5404	5405	5406	-0.18	
-5404	H91	SLES	1	-23.9656	5.744	1.66627	HAL2	5403	0	0	0	0.09	
-5405	H92	SLES	1	-23.4854	6.96016	2.90524	HAL2	5403	0	0	0	0.09	
-5406	C10	SLES	1	-21.9211	6.47609	1.46464	CTL2	5403	5407	5408	5409	-0.18	
-5407	H10	SLES	1	-21.8465	6.18828	0.391151	HAL2	5406	0	0	0	0.09	
-5408	H10	SLES	1	-21.3683	7.43274	1.6035	HAL2	5406	0	0	0	0.09	
-5409	C11	SLES	1	-21.2546	5.37522	2.33174	CTL2	5406	5410	5411	5412	-0.18	
-5410	H11	SLES	1	-21.8068	4.41897	2.18412	HAL2	5409	0	0	0	0.09	
-5411	H11	SLES	1	-21.3476	5.6587	3.40501	HAL2	5409	0	0	0	0.09	
-5412	C12	SLES	1	-19.7569	5.14303	2.00417	CTL3	5409	5413	5414	5415	-0.27	
-5413	H12	SLES	1	-19.5893	4.09012	1.68692	HAL3	5412	0	0	0	0.09	
-5414	H12	SLES	1	-19.1292	5.3476	2.89945	HAL3	5412	0	0	0	0.09	
-5415	H12	SLES	1	-19.4315	5.81686	1.18186	HAL3	5412	0	0	0	0.09	
-5416	NA	SLES	1	-36.7745	24.0656	4.53449	NA	0	0	0	0	1	
-5417	S	SLES	1	-35.052	24.6275	1.3615	SL	5418	5419	5420	5421	1.33	
-5418	OS1	SLES	1	-34.484	23.6321	2.58374	OSL	5417	5422	0	0	-0.28	
-5419	OS2	SLES	1	-36.3608	24.1237	0.999655	O2L	5417	0	0	0	-0.65	
-5420	OS3	SLES	1	-35.1763	25.9479	1.94248	O2L	5417	0	0	0	-0.65	
-5421	OS4	SLES	1	-34.1999	24.683	0.184554	O2L	5417	0	0	0	-0.65	
-5422	C2	SLES	1	-33.3046	22.8544	2.10985	CC32A	5418	5423	5424	5425	-0.11	
-5423	H2A	SLES	1	-33.5581	22.2774	1.17711	HCA2	5422	0	0	0	0.09	
-5424	H2B	SLES	1	-32.4717	23.5746	1.87769	HCA2	5422	0	0	0	0.09	
-5425	C1	SLES	1	-32.8396	21.8426	3.26132	CC32A	5422	5426	5427	5428	-0.01	
-5426	H1B	SLES	1	-33.6905	21.1859	3.55525	HCA2	5425	0	0	0	0.09	
-5427	H1A	SLES	1	-32.502	22.4154	4.15635	HCA2	5425	0	0	0	0.09	
-5428	O1	SLES	1	-31.7479	20.8824	3.00823	OC30A	5425	5429	0	0	-0.34	
-5429	C2	SLES	1	-30.8868	21.1654	1.8853	CC32A	5428	5430	5431	5432	-0.01	
-5430	H2A	SLES	1	-31.6033	21.1444	1.04089	HCA2	5429	0	0	0	0.09	
-5431	H2B	SLES	1	-30.5856	22.2204	2.07406	HCA2	5429	0	0	0	0.09	
-5432	C1	SLES	1	-29.6275	20.318	1.51986	CC32A	5429	5433	5434	5435	-0.01	
-5433	H1B	SLES	1	-29.912	19.5095	0.811672	HCA2	5432	0	0	0	0.09	
-5434	H1A	SLES	1	-28.8767	20.9705	1.03085	HCA2	5432	0	0	0	0.09	
-5435	O1	SLES	1	-28.8707	19.5394	2.50157	OC30A	5432	5436	0	0	-0.34	
-5436	C1	SLES	1	-27.4351	19.3855	2.2024	CTL2	5435	5437	5438	5439	-0.18	
-5437	H11	SLES	1	-27.2762	19.7498	1.17126	HAL2	5436	0	0	0	0.09	
-5438	H12	SLES	1	-26.9867	20.1134	2.90987	HAL2	5436	0	0	0	0.09	
-5439	C2	SLES	1	-26.7468	17.9743	2.37809	CTL2	5436	5440	5441	5442	-0.18	
-5440	H21	SLES	1	-27.5136	17.2313	2.69225	HAL2	5439	0	0	0	0.09	
-5441	H22	SLES	1	-25.9847	18.0419	3.18508	HAL2	5439	0	0	0	0.09	
-5442	C3	SLES	1	-26.0418	17.4616	1.02955	CTL2	5439	5443	5444	5445	-0.18	
-5443	H31	SLES	1	-26.6799	16.6779	0.563723	HAL2	5442	0	0	0	0.09	
-5444	H32	SLES	1	-25.9671	18.307	0.3169	HAL2	5442	0	0	0	0.09	
-5445	C4	SLES	1	-24.5935	16.8663	1.27498	CTL2	5442	5446	5447	5448	-0.18	
-5446	H41	SLES	1	-24.6524	15.758	1.25701	HAL2	5445	0	0	0	0.09	
-5447	H42	SLES	1	-24.2383	17.174	2.28208	HAL2	5445	0	0	0	0.09	
-5448	C5	SLES	1	-23.5368	17.351	0.182536	CTL2	5445	5449	5450	5451	-0.18	
-5449	H51	SLES	1	-24.0841	17.7371	-0.705645	HAL2	5448	0	0	0	0.09	
-5450	H52	SLES	1	-22.9364	18.1886	0.605323	HAL2	5448	0	0	0	0.09	
-5451	C6	SLES	1	-22.5613	16.2035	-0.27916	CTL2	5448	5452	5453	5454	-0.18	
-5452	H61	SLES	1	-23.1236	15.483	-0.914515	HAL2	5451	0	0	0	0.09	
-5453	H62	SLES	1	-21.7488	16.6474	-0.90066	HAL2	5451	0	0	0	0.09	
-5454	C7	SLES	1	-21.9216	15.434	0.919532	CTL2	5451	5455	5456	5457	-0.18	
-5455	H71	SLES	1	-22.6472	14.6785	1.29437	HAL2	5454	0	0	0	0.09	
-5456	H72	SLES	1	-21.7159	16.1518	1.74466	HAL2	5454	0	0	0	0.09	
-5457	C8	SLES	1	-20.6035	14.7176	0.533529	CTL2	5454	5458	5459	5460	-0.18	
-5458	H81	SLES	1	-20.7523	14.1743	-0.4278	HAL2	5457	0	0	0	0.09	
-5459	H82	SLES	1	-19.8068	15.4803	0.378049	HAL2	5457	0	0	0	0.09	
-5460	C9	SLES	1	-20.1375	13.7121	1.6162	CTL2	5457	5461	5462	5463	-0.18	
-5461	H91	SLES	1	-20.9466	12.9673	1.79228	HAL2	5460	0	0	0	0.09	
-5462	H92	SLES	1	-19.9622	14.2604	2.56916	HAL2	5460	0	0	0	0.09	
-5463	C10	SLES	1	-18.8426	12.9651	1.2181	CTL2	5460	5464	5465	5466	-0.18	
-5464	H10	SLES	1	-19.0247	12.3976	0.277058	HAL2	5463	0	0	0	0.09	
-5465	H10	SLES	1	-18.0391	13.7103	1.02033	HAL2	5463	0	0	0	0.09	
-5466	C11	SLES	1	-18.3619	11.9815	2.31784	CTL2	5463	5467	5468	5469	-0.18	
-5467	H11	SLES	1	-19.1662	11.2342	2.5071	HAL2	5466	0	0	0	0.09	
-5468	H11	SLES	1	-18.1984	12.5505	3.26145	HAL2	5466	0	0	0	0.09	
-5469	C12	SLES	1	-17.0556	11.2287	1.95549	CTL3	5466	5470	5471	5472	-0.27	
-5470	H12	SLES	1	-17.2301	10.1302	1.95457	HAL3	5469	0	0	0	0.09	
-5471	H12	SLES	1	-16.2581	11.4603	2.69558	HAL3	5469	0	0	0	0.09	
-5472	H12	SLES	1	-16.7012	11.532	0.946244	HAL3	5469	0	0	0	0.09	
-5473	NA	SLES	1	-26.9419	34.7579	4.25459	NA	0	0	0	0	1	
-5474	S	SLES	1	-25.9363	34.1127	0.801637	SL	5475	5476	5477	5478	1.33	
-5475	OS1	SLES	1	-25.3783	33.2523	2.12667	OSL	5474	5479	0	0	-0.28	
-5476	OS2	SLES	1	-27.3787	33.9825	0.808221	O2L	5474	0	0	0	-0.65	
-5477	OS3	SLES	1	-25.5657	35.4932	1.0326	O2L	5474	0	0	0	-0.65	
-5478	OS4	SLES	1	-25.4044	33.6646	-0.475366	O2L	5474	0	0	0	-0.65	
-5479	C2	SLES	1	-24.5937	32.0671	1.67936	CC32A	5475	5480	5481	5482	-0.11	
-5480	H2A	SLES	1	-25.2045	31.4258	0.984557	HCA2	5479	0	0	0	0.09	
-5481	H2B	SLES	1	-23.68	32.4296	1.13174	HCA2	5479	0	0	0	0.09	
-5482	C1	SLES	1	-24.1531	31.2097	2.95866	CC32A	5479	5483	5484	5485	-0.01	
-5483	H1B	SLES	1	-25.0523	30.9241	3.5516	HCA2	5482	0	0	0	0.09	
-5484	H1A	SLES	1	-23.4738	31.8135	3.60454	HCA2	5482	0	0	0	0.09	
-5485	O1	SLES	1	-23.4464	29.9261	2.78344	OC30A	5482	5486	0	0	-0.34	
-5486	C2	SLES	1	-22.8331	29.6972	1.4973	CC32A	5485	5487	5488	5489	-0.01	
-5487	H2A	SLES	1	-23.7089	29.7347	0.820157	HCA2	5486	0	0	0	0.09	
-5488	H2B	SLES	1	-22.228	30.6204	1.35257	HCA2	5486	0	0	0	0.09	
-5489	C1	SLES	1	-21.9666	28.4438	1.15778	CC32A	5486	5490	5491	5492	-0.01	
-5490	H1B	SLES	1	-22.6142	27.6416	0.741766	HCA2	5489	0	0	0	0.09	
-5491	H1A	SLES	1	-21.2084	28.7182	0.397239	HCA2	5489	0	0	0	0.09	
-5492	O1	SLES	1	-21.2318	27.6781	2.16609	OC30A	5489	5493	0	0	-0.34	
-5493	C1	SLES	1	-20.0015	27.0269	1.68008	CTL2	5492	5494	5495	5496	-0.18	
-5494	H11	SLES	1	-20.0014	27.1113	0.578247	HAL2	5493	0	0	0	0.09	
-5495	H12	SLES	1	-19.2222	27.7028	2.08876	HAL2	5493	0	0	0	0.09	
-5496	C2	SLES	1	-19.6893	25.5354	2.09743	CTL2	5493	5497	5498	5499	-0.18	
-5497	H21	SLES	1	-20.5279	25.1473	2.71784	HAL2	5496	0	0	0	0.09	
-5498	H22	SLES	1	-18.7675	25.5195	2.71924	HAL2	5496	0	0	0	0.09	
-5499	C3	SLES	1	-19.4858	24.5715	0.829355	CTL2	5496	5500	5501	5502	-0.18	
-5500	H31	SLES	1	-20.3999	23.9509	0.696869	HAL2	5499	0	0	0	0.09	
-5501	H32	SLES	1	-19.3617	25.1924	-0.0802176	HAL2	5499	0	0	0	0.09	
-5502	C4	SLES	1	-18.2309	23.6141	0.973616	CTL2	5499	5503	5504	5505	-0.18	
-5503	H41	SLES	1	-18.5831	22.5994	1.25387	HAL2	5502	0	0	0	0.09	
-5504	H42	SLES	1	-17.5786	23.9881	1.79189	HAL2	5502	0	0	0	0.09	
-5505	C5	SLES	1	-17.3744	23.5174	-0.368694	CTL2	5502	5506	5507	5508	-0.18	
-5506	H51	SLES	1	-17.9947	23.8714	-1.22153	HAL2	5505	0	0	0	0.09	
-5507	H52	SLES	1	-16.4914	24.1914	-0.284812	HAL2	5505	0	0	0	0.09	
-5508	C6	SLES	1	-16.8752	22.0549	-0.674233	CTL2	5505	5509	5510	5511	-0.18	
-5509	H61	SLES	1	-17.7421	21.4357	-0.997053	HAL2	5508	0	0	0	0.09	
-5510	H62	SLES	1	-16.1459	22.0899	-1.51703	HAL2	5508	0	0	0	0.09	
-5511	C7	SLES	1	-16.196	21.3773	0.557759	CTL2	5508	5512	5513	5514	-0.18	
-5512	H71	SLES	1	-16.9849	20.9767	1.23218	HAL2	5511	0	0	0	0.09	
-5513	H72	SLES	1	-15.6183	22.1431	1.12176	HAL2	5511	0	0	0	0.09	
-5514	C8	SLES	1	-15.2448	20.223	0.154848	CTL2	5511	5515	5516	5517	-0.18	
-5515	H81	SLES	1	-15.7556	19.5745	-0.593502	HAL2	5514	0	0	0	0.09	
-5516	H82	SLES	1	-14.3354	20.6514	-0.324784	HAL2	5514	0	0	0	0.09	
-5517	C9	SLES	1	-14.8179	19.3575	1.36692	CTL2	5514	5518	5519	5520	-0.18	
-5518	H91	SLES	1	-15.7293	18.9536	1.86359	HAL2	5517	0	0	0	0.09	
-5519	H92	SLES	1	-14.283	20.0007	2.10154	HAL2	5517	0	0	0	0.09	
-5520	C10	SLES	1	-13.8992	18.1797	0.96429	CTL2	5517	5521	5522	5523	-0.18	
-5521	H10	SLES	1	-14.4428	17.5232	0.247136	HAL2	5520	0	0	0	0.09	
-5522	H10	SLES	1	-12.9982	18.5814	0.44784	HAL2	5520	0	0	0	0.09	
-5523	C11	SLES	1	-13.4489	17.3334	2.18447	CTL2	5520	5524	5525	5526	-0.18	
-5524	H11	SLES	1	-14.3532	16.9283	2.69351	HAL2	5523	0	0	0	0.09	
-5525	H11	SLES	1	-12.9217	17.9977	2.9068	HAL2	5523	0	0	0	0.09	
-5526	C12	SLES	1	-12.5126	16.1537	1.81543	CTL3	5523	5527	5528	5529	-0.27	
-5527	H12	SLES	1	-12.9662	15.1876	2.12881	HAL3	5526	0	0	0	0.09	
-5528	H12	SLES	1	-11.5302	16.2658	2.32513	HAL3	5526	0	0	0	0.09	
-5529	H12	SLES	1	-12.3407	16.1247	0.717362	HAL3	5526	0	0	0	0.09	
-5530	NA	SLES	1	-14.1396	41.6926	3.7255	NA	0	0	0	0	1	
-5531	S	SLES	1	-14.3816	40.3742	0.326426	SL	5532	5533	5534	5535	1.33	
-5532	OS1	SLES	1	-13.7208	39.54	1.62059	OSL	5531	5536	0	0	-0.28	
-5533	OS2	SLES	1	-15.7403	40.7038	0.703973	O2L	5531	0	0	0	-0.65	
-5534	OS3	SLES	1	-13.6014	41.5861	0.18785	O2L	5531	0	0	0	-0.65	
-5535	OS4	SLES	1	-14.3806	39.6391	-0.928166	O2L	5531	0	0	0	-0.65	
-5536	C2	SLES	1	-13.4487	38.1257	1.23829	CC32A	5532	5537	5538	5539	-0.11	
-5537	H2A	SLES	1	-14.3829	37.6328	0.849117	HCA2	5536	0	0	0	0.09	
-5538	H2B	SLES	1	-12.6683	38.1187	0.427655	HCA2	5536	0	0	0	0.09	
-5539	C1	SLES	1	-12.9082	37.3259	2.51654	CC32A	5536	5540	5541	5542	-0.01	
-5540	H1B	SLES	1	-13.6415	37.406	3.3518	HCA2	5539	0	0	0	0.09	
-5541	H1A	SLES	1	-11.9353	37.7562	2.8501	HCA2	5539	0	0	0	0.09	
-5542	O1	SLES	1	-12.6561	35.8743	2.43087	OC30A	5539	5543	0	0	-0.34	
-5543	C2	SLES	1	-12.5238	35.3193	1.10533	CC32A	5542	5544	5545	5546	-0.01	
-5544	H2A	SLES	1	-13.5129	35.5513	0.664039	HCA2	5543	0	0	0	0.09	
-5545	H2B	SLES	1	-11.7597	35.9836	0.642478	HCA2	5543	0	0	0	0.09	
-5546	C1	SLES	1	-12.1639	33.8274	0.819191	CC32A	5543	5547	5548	5549	-0.01	
-5547	H1B	SLES	1	-13.0953	33.2262	0.735362	HCA2	5546	0	0	0	0.09	
-5548	H1A	SLES	1	-11.6113	33.7616	-0.139451	HCA2	5546	0	0	0	0.09	
-5549	O1	SLES	1	-11.4061	32.9908	1.7513	OC30A	5546	5550	0	0	-0.34	
-5550	C1	SLES	1	-10.5912	31.936	1.12114	CTL2	5549	5551	5552	5553	-0.18	
-5551	H11	SLES	1	-10.8847	31.8895	0.0567739	HAL2	5550	0	0	0	0.09	
-5552	H12	SLES	1	-9.57488	32.3759	1.19104	HAL2	5550	0	0	0	0.09	
-5553	C2	SLES	1	-10.5876	30.4798	1.73415	CTL2	5550	5554	5555	5556	-0.18	
-5554	H21	SLES	1	-11.285	30.4475	2.60099	HAL2	5553	0	0	0	0.09	
-5555	H22	SLES	1	-9.56623	30.2474	2.10756	HAL2	5553	0	0	0	0.09	
-5556	C3	SLES	1	-11.0253	29.3622	0.66744	CTL2	5553	5557	5558	5559	-0.18	
-5557	H31	SLES	1	-12.0711	29.0482	0.88172	HAL2	5556	0	0	0	0.09	
-5558	H32	SLES	1	-11.0046	29.8046	-0.348462	HAL2	5556	0	0	0	0.09	
-5559	C4	SLES	1	-10.0896	28.0831	0.690523	CTL2	5556	5560	5561	5562	-0.18	
-5560	H41	SLES	1	-10.607	27.2688	1.23946	HAL2	5559	0	0	0	0.09	
-5561	H42	SLES	1	-9.15402	28.3252	1.23932	HAL2	5559	0	0	0	0.09	
-5562	C5	SLES	1	-9.71408	27.5701	-0.772566	CTL2	5559	5563	5564	5565	-0.18	
-5563	H51	SLES	1	-10.4333	28.0005	-1.50396	HAL2	5562	0	0	0	0.09	
-5564	H52	SLES	1	-8.69637	27.9386	-1.03602	HAL2	5562	0	0	0	0.09	
-5565	C6	SLES	1	-9.73849	26	-0.897506	CTL2	5562	5566	5567	5568	-0.18	
-5566	H61	SLES	1	-10.7952	25.6507	-0.875839	HAL2	5565	0	0	0	0.09	
-5567	H62	SLES	1	-9.30083	25.7082	-1.88074	HAL2	5565	0	0	0	0.09	
-5568	C7	SLES	1	-8.94373	25.2895	0.243469	CTL2	5565	5569	5570	5571	-0.18	
-5569	H71	SLES	1	-9.58335	25.2361	1.1522	HAL2	5568	0	0	0	0.09	
-5570	H72	SLES	1	-8.04385	25.8952	0.491896	HAL2	5568	0	0	0	0.09	
-5571	C8	SLES	1	-8.49742	23.8573	-0.142589	CTL2	5568	5572	5573	5574	-0.18	
-5572	H81	SLES	1	-9.35701	23.3202	-0.605287	HAL2	5571	0	0	0	0.09	
-5573	H82	SLES	1	-7.68365	23.9216	-0.900388	HAL2	5571	0	0	0	0.09	
-5574	C9	SLES	1	-7.99106	23.0464	1.0766	CTL2	5571	5575	5576	5577	-0.18	
-5575	H91	SLES	1	-8.79508	23.0078	1.84628	HAL2	5574	0	0	0	0.09	
-5576	H92	SLES	1	-7.11463	23.5694	1.52148	HAL2	5574	0	0	0	0.09	
-5577	C10	SLES	1	-7.58086	21.6022	0.703182	CTL2	5574	5578	5579	5580	-0.18	
-5578	H10	SLES	1	-8.46381	21.0714	0.279587	HAL2	5577	0	0	0	0.09	
-5579	H10	SLES	1	-6.79254	21.6397	-0.0824199	HAL2	5577	0	0	0	0.09	
-5580	C11	SLES	1	-7.04539	20.803	1.92071	CTL2	5577	5581	5582	5583	-0.18	
-5581	H11	SLES	1	-7.83978	20.7625	2.70072	HAL2	5580	0	0	0	0.09	
-5582	H11	SLES	1	-6.17394	21.3468	2.35165	HAL2	5580	0	0	0	0.09	
-5583	C12	SLES	1	-6.60989	19.3553	1.57539	CTL3	5580	5584	5585	5586	-0.27	
-5584	H12	SLES	1	-7.19794	18.6224	2.17068	HAL3	5583	0	0	0	0.09	
-5585	H12	SLES	1	-5.53049	19.2118	1.80268	HAL3	5583	0	0	0	0.09	
-5586	H12	SLES	1	-6.77512	19.1485	0.495545	HAL3	5583	0	0	0	0.09	
-5587	NA	SLES	1	0.184384	44.0833	2.95107	NA	0	0	0	0	1	
-5588	S	SLES	1	-1.4593	42.8355	-0.0641645	SL	5589	5590	5591	5592	1.33	
-5589	OS1	SLES	1	-0.697755	41.8648	1.06955	OSL	5588	5593	0	0	-0.28	
-5590	OS2	SLES	1	-2.48222	43.5715	0.649588	O2L	5588	0	0	0	-0.65	
-5591	OS3	SLES	1	-0.448997	43.7485	-0.556447	O2L	5588	0	0	0	-0.65	
-5592	OS4	SLES	1	-2.0548	42.1107	-1.17528	O2L	5588	0	0	0	-0.65	
-5593	C2	SLES	1	-0.971341	40.4278	0.785874	CC32A	5589	5594	5595	5596	-0.11	
-5594	H2A	SLES	1	-2.07963	40.2361	0.740177	HCA2	5593	0	0	0	0.09	
-5595	H2B	SLES	1	-0.515144	40.1671	-0.209178	HCA2	5593	0	0	0	0.09	
-5596	C1	SLES	1	-0.314062	39.5263	1.93526	CC32A	5593	5597	5598	5599	-0.01	
-5597	H1B	SLES	1	-0.699062	39.8428	2.93195	HCA2	5596	0	0	0	0.09	
-5598	H1A	SLES	1	0.794447	39.6456	1.92389	HCA2	5596	0	0	0	0.09	
-5599	O1	SLES	1	-0.524895	38.0657	1.94362	OC30A	5596	5600	0	0	-0.34	
-5600	C2	SLES	1	-0.971773	37.471	0.707007	CC32A	5599	5601	5602	5603	-0.01	
-5601	H2A	SLES	1	-1.93958	37.9852	0.546411	HCA2	5600	0	0	0	0.09	
-5602	H2B	SLES	1	-0.232011	37.8612	-0.0277321	HCA2	5600	0	0	0	0.09	
-5603	C1	SLES	1	-1.15807	35.9351	0.498154	CC32A	5600	5604	5605	5606	-0.01	
-5604	H1B	SLES	1	-2.20046	35.6454	0.754169	HCA2	5603	0	0	0	0.09	
-5605	H1A	SLES	1	-0.971089	35.6851	-0.565401	HCA2	5603	0	0	0	0.09	
-5606	O1	SLES	1	-0.420835	34.9256	1.25985	OC30A	5603	5607	0	0	-0.34	
-5607	C1	SLES	1	-0.175897	33.6602	0.543771	CTL2	5606	5608	5609	5610	-0.18	
-5608	H11	SLES	1	-0.783934	33.6847	-0.378653	HAL2	5607	0	0	0	0.09	
-5609	H12	SLES	1	0.8933	33.7702	0.26811	HAL2	5607	0	0	0	0.09	
-5610	C2	SLES	1	-0.398002	32.2847	1.28871	CTL2	5607	5611	5612	5613	-0.18	
-5611	H21	SLES	1	-0.772692	32.4838	2.31769	HAL2	5610	0	0	0	0.09	
-5612	H22	SLES	1	0.578034	31.759	1.37549	HAL2	5610	0	0	0	0.09	
-5613	C3	SLES	1	-1.44255	31.3335	0.525515	CTL2	5610	5614	5615	5616	-0.18	
-5614	H31	SLES	1	-2.41504	31.3579	1.06585	HAL2	5613	0	0	0	0.09	
-5615	H32	SLES	1	-1.61133	31.7285	-0.496087	HAL2	5613	0	0	0	0.09	
-5616	C4	SLES	1	-0.950258	29.8305	0.42097	CTL2	5613	5617	5618	5619	-0.18	
-5617	H41	SLES	1	-1.48232	29.2239	1.18329	HAL2	5616	0	0	0	0.09	
-5618	H42	SLES	1	0.137103	29.7861	0.646153	HAL2	5616	0	0	0	0.09	
-5619	C5	SLES	1	-1.20693	29.1988	-1.02123	CTL2	5616	5620	5621	5622	-0.18	
-5620	H51	SLES	1	-1.96283	29.8139	-1.5577	HAL2	5619	0	0	0	0.09	
-5621	H52	SLES	1	-0.25963	29.2339	-1.60633	HAL2	5619	0	0	0	0.09	
-5622	C6	SLES	1	-1.71458	27.709	-0.957263	CTL2	5619	5623	5624	5625	-0.18	
-5623	H61	SLES	1	-2.76639	27.6994	-0.593021	HAL2	5622	0	0	0	0.09	
-5624	H62	SLES	1	-1.7038	27.2784	-1.98579	HAL2	5622	0	0	0	0.09	
-5625	C7	SLES	1	-0.843446	26.8123	-0.0217045	CTL2	5622	5626	5627	5628	-0.18	
-5626	H71	SLES	1	-1.15879	26.9744	1.03282	HAL2	5625	0	0	0	0.09	
-5627	H72	SLES	1	0.222363	27.1191	-0.11259	HAL2	5625	0	0	0	0.09	
-5628	C8	SLES	1	-0.965186	25.3049	-0.357155	CTL2	5625	5629	5630	5631	-0.18	
-5629	H81	SLES	1	-2.04101	25.0469	-0.489335	HAL2	5628	0	0	0	0.09	
-5630	H82	SLES	1	-0.442113	25.1029	-1.31955	HAL2	5628	0	0	0	0.09	
-5631	C9	SLES	1	-0.360232	24.4022	0.747135	CTL2	5628	5632	5633	5634	-0.18	
-5632	H91	SLES	1	-0.863474	24.6259	1.71514	HAL2	5631	0	0	0	0.09	
-5633	H92	SLES	1	0.72135	24.6412	0.859091	HAL2	5631	0	0	0	0.09	
-5634	C10	SLES	1	-0.514259	22.8947	0.43545	CTL2	5631	5635	5636	5637	-0.18	
-5635	H10	SLES	1	-1.59743	22.6505	0.346488	HAL2	5634	0	0	0	0.09	
-5636	H10	SLES	1	-0.0304947	22.6744	-0.543052	HAL2	5634	0	0	0	0.09	
-5637	C11	SLES	1	0.1199	21.9941	1.52847	CTL2	5634	5638	5639	5640	-0.18	
-5638	H11	SLES	1	-0.37196	22.2133	2.50374	HAL2	5637	0	0	0	0.09	
-5639	H11	SLES	1	1.19862	22.2543	1.62626	HAL2	5637	0	0	0	0.09	
-5640	C12	SLES	1	-0.00346764	20.4761	1.2366	CTL3	5637	5641	5642	5643	-0.27	
-5641	H12	SLES	1	-0.562142	19.9695	2.05424	HAL3	5640	0	0	0	0.09	
-5642	H12	SLES	1	1.00548	20.0145	1.15774	HAL3	5640	0	0	0	0.09	
-5643	H12	SLES	1	-0.545495	20.3086	0.280431	HAL3	5640	0	0	0	0.09	
-5644	NA	SLES	1	14.4045	41.7223	1.95926	NA	0	0	0	0	1	
-5645	S	SLES	1	11.6366	41.2487	-0.378486	SL	5646	5647	5648	5649	1.33	
-5646	OS1	SLES	1	12.371	40.0128	0.482004	OSL	5645	5650	0	0	-0.28	
-5647	OS2	SLES	1	11.1477	42.195	0.602849	O2L	5645	0	0	0	-0.65	
-5648	OS3	SLES	1	12.6799	41.8602	-1.17487	O2L	5645	0	0	0	-0.65	
-5649	OS4	SLES	1	10.5456	40.8188	-1.23834	O2L	5645	0	0	0	-0.65	
-5650	C2	SLES	1	11.6032	38.7457	0.322441	CC32A	5646	5651	5652	5653	-0.11	
-5651	H2A	SLES	1	10.5287	38.8918	0.624523	HCA2	5650	0	0	0	0.09	
-5652	H2B	SLES	1	11.6391	38.4403	-0.759994	HCA2	5650	0	0	0	0.09	
-5653	C1	SLES	1	12.2689	37.605	1.22878	CC32A	5650	5654	5655	5656	-0.01	
-5654	H1B	SLES	1	12.3149	37.9425	2.2898	HCA2	5653	0	0	0	0.09	
-5655	H1A	SLES	1	13.3046	37.3943	0.873663	HCA2	5653	0	0	0	0.09	
-5656	O1	SLES	1	11.6382	36.2745	1.32799	OC30A	5653	5657	0	0	-0.34	
-5657	C2	SLES	1	10.6835	35.9345	0.300579	CC32A	5656	5658	5659	5660	-0.01	
-5658	H2A	SLES	1	9.91557	36.7209	0.437372	HCA2	5657	0	0	0	0.09	
-5659	H2B	SLES	1	11.2511	36.1461	-0.633498	HCA2	5657	0	0	0	0.09	
-5660	C1	SLES	1	9.98717	34.5419	0.186999	CC32A	5657	5661	5662	5663	-0.01	
-5661	H1B	SLES	1	9.03294	34.552	0.757424	HCA2	5660	0	0	0	0.09	
-5662	H1A	SLES	1	9.76221	34.331	-0.877674	HCA2	5660	0	0	0	0.09	
-5663	O1	SLES	1	10.5764	33.3048	0.701903	OC30A	5660	5664	0	0	-0.34	
-5664	C1	SLES	1	10.2003	32.0825	-0.0320091	CTL2	5663	5665	5666	5667	-0.18	
-5665	H11	SLES	1	9.38146	32.3556	-0.721985	HAL2	5664	0	0	0	0.09	
-5666	H12	SLES	1	11.1185	31.8949	-0.62617	HAL2	5664	0	0	0	0.09	
-5667	C2	SLES	1	9.80572	30.7795	0.769647	CTL2	5664	5668	5669	5670	-0.18	
-5668	H21	SLES	1	9.83507	30.9996	1.86029	HAL2	5667	0	0	0	0.09	
-5669	H22	SLES	1	10.5555	29.9854	0.560322	HAL2	5667	0	0	0	0.09	
-5670	C3	SLES	1	8.344	30.2386	0.383327	CTL2	5667	5671	5672	5673	-0.18	
-5671	H31	SLES	1	7.6333	30.5055	1.19693	HAL2	5670	0	0	0	0.09	
-5672	H32	SLES	1	8.00511	30.7435	-0.543198	HAL2	5670	0	0	0	0.09	
-5673	C4	SLES	1	8.30281	28.6701	0.158889	CTL2	5670	5674	5675	5676	-0.18	
-5674	H41	SLES	1	7.86589	28.1894	1.05896	HAL2	5673	0	0	0	0.09	
-5675	H42	SLES	1	9.3406	28.2913	0.0381918	HAL2	5673	0	0	0	0.09	
-5676	C5	SLES	1	7.44748	28.2551	-1.12209	CTL2	5673	5677	5678	5679	-0.18	
-5677	H51	SLES	1	6.78926	29.1044	-1.40997	HAL2	5676	0	0	0	0.09	
-5678	H52	SLES	1	8.14001	28.0557	-1.97155	HAL2	5676	0	0	0	0.09	
-5679	C6	SLES	1	6.55601	26.9795	-0.87785	CTL2	5676	5680	5681	5682	-0.18	
-5680	H61	SLES	1	5.71051	27.2509	-0.206616	HAL2	5679	0	0	0	0.09	
-5681	H62	SLES	1	6.12738	26.6455	-1.85159	HAL2	5679	0	0	0	0.09	
-5682	C7	SLES	1	7.35262	25.7971	-0.240956	CTL2	5679	5683	5684	5685	-0.18	
-5683	H71	SLES	1	7.43212	25.9626	0.856329	HAL2	5682	0	0	0	0.09	
-5684	H72	SLES	1	8.38266	25.7837	-0.661877	HAL2	5682	0	0	0	0.09	
-5685	C8	SLES	1	6.68541	24.4225	-0.495367	CTL2	5682	5686	5687	5688	-0.18	
-5686	H81	SLES	1	5.59433	24.5026	-0.284367	HAL2	5685	0	0	0	0.09	
-5687	H82	SLES	1	6.80936	24.1509	-1.56844	HAL2	5685	0	0	0	0.09	
-5688	C9	SLES	1	7.2899	23.2994	0.384259	CTL2	5685	5689	5690	5691	-0.18	
-5689	H91	SLES	1	7.19216	23.5855	1.45616	HAL2	5688	0	0	0	0.09	
-5690	H92	SLES	1	8.37441	23.2012	0.152586	HAL2	5688	0	0	0	0.09	
-5691	C10	SLES	1	6.60056	21.9323	0.162416	CTL2	5688	5692	5693	5694	-0.18	
-5692	H10	SLES	1	5.51996	22.0244	0.416539	HAL2	5691	0	0	0	0.09	
-5693	H10	SLES	1	6.67858	21.6561	-0.913515	HAL2	5691	0	0	0	0.09	
-5694	C11	SLES	1	7.22874	20.8036	1.02227	CTL2	5691	5695	5696	5697	-0.18	
-5695	H11	SLES	1	7.14209	21.0814	2.09765	HAL2	5694	0	0	0	0.09	
-5696	H11	SLES	1	8.31284	20.7275	0.777632	HAL2	5694	0	0	0	0.09	
-5697	C12	SLES	1	6.56991	19.416	0.809997	CTL3	5694	5698	5699	5700	-0.27	
-5698	H12	SLES	1	6.15575	19.034	1.76911	HAL3	5697	0	0	0	0.09	
-5699	H12	SLES	1	7.31931	18.6861	0.431838	HAL3	5697	0	0	0	0.09	
-5700	H12	SLES	1	5.74248	19.4893	0.0709973	HAL3	5697	0	0	0	0.09	
-5701	NA	SLES	1	26.9608	34.9937	0.799375	NA	0	0	0	0	1	
-5702	S	SLES	1	23.6787	35.7202	-0.632383	SL	5703	5704	5705	5706	1.33	
-5703	OS1	SLES	1	24.1772	34.2015	-0.130008	OSL	5702	5707	0	0	-0.28	
-5704	OS2	SLES	1	23.7912	36.5891	0.520796	O2L	5702	0	0	0	-0.65	
-5705	OS3	SLES	1	24.617	36.1345	-1.65436	O2L	5702	0	0	0	-0.65	
-5706	OS4	SLES	1	22.3233	35.7666	-1.15709	O2L	5702	0	0	0	-0.65	
-5707	C2	SLES	1	23.0314	33.2491	-0.150592	CC32A	5703	5708	5709	5710	-0.11	
-5708	H2A	SLES	1	22.1778	33.6414	0.469602	HCA2	5707	0	0	0	0.09	
-5709	H2B	SLES	1	22.6845	33.1307	-1.21448	HCA2	5707	0	0	0	0.09	
-5710	C1	SLES	1	23.5097	31.8322	0.423356	CC32A	5707	5711	5712	5713	-0.01	
-5711	H1B	SLES	1	23.9358	31.9613	1.4449	HCA2	5710	0	0	0	0.09	
-5712	H1A	SLES	1	24.2935	31.3987	-0.240684	HCA2	5710	0	0	0	0.09	
-5713	O1	SLES	1	22.536	30.7379	0.602914	OC30A	5710	5714	0	0	-0.34	
-5714	C2	SLES	1	21.2898	30.8585	-0.114912	CC32A	5713	5715	5716	5717	-0.01	
-5715	H2A	SLES	1	20.877	31.7961	0.30618	HCA2	5714	0	0	0	0.09	
-5716	H2B	SLES	1	21.6311	31.0529	-1.1566	HCA2	5714	0	0	0	0.09	
-5717	C1	SLES	1	20.181	29.7596	-0.122914	CC32A	5714	5718	5719	5720	-0.01	
-5718	H1B	SLES	1	19.4634	29.9447	0.705897	HCA2	5717	0	0	0	0.09	
-5719	H1A	SLES	1	19.6313	29.8015	-1.0845	HCA2	5717	0	0	0	0.09	
-5720	O1	SLES	1	20.4569	28.3385	0.0941549	OC30A	5717	5721	0	0	-0.34	
-5721	C1	SLES	1	19.5326	27.413	-0.586357	CTL2	5720	5722	5723	5724	-0.18	
-5722	H11	SLES	1	18.694	28.0178	-0.976227	HAL2	5721	0	0	0	0.09	
-5723	H12	SLES	1	20.1544	27.0744	-1.44077	HAL2	5721	0	0	0	0.09	
-5724	C2	SLES	1	18.9657	26.1608	0.192705	CTL2	5721	5725	5726	5727	-0.18	
-5725	H21	SLES	1	19.347	26.1787	1.23824	HAL2	5724	0	0	0	0.09	
-5726	H22	SLES	1	19.3407	25.2331	-0.292533	HAL2	5724	0	0	0	0.09	
-5727	C3	SLES	1	17.3605	26.1286	0.22065	CTL2	5724	5728	5729	5730	-0.18	
-5728	H31	SLES	1	17.0103	26.4467	1.22783	HAL2	5727	0	0	0	0.09	
-5729	H32	SLES	1	16.9716	26.8558	-0.51977	HAL2	5727	0	0	0	0.09	
-5730	C4	SLES	1	16.7635	24.6964	-0.102519	CTL2	5727	5731	5732	5733	-0.18	
-5731	H41	SLES	1	16.4464	24.2164	0.846783	HAL2	5730	0	0	0	0.09	
-5732	H42	SLES	1	17.5566	24.0645	-0.557335	HAL2	5730	0	0	0	0.09	
-5733	C5	SLES	1	15.5179	24.7601	-1.09706	CTL2	5730	5734	5735	5736	-0.18	
-5734	H51	SLES	1	15.1145	25.7967	-1.10777	HAL2	5733	0	0	0	0.09	
-5735	H52	SLES	1	15.8639	24.5169	-2.12766	HAL2	5733	0	0	0	0.09	
-5736	C6	SLES	1	14.3619	23.7675	-0.697279	CTL2	5733	5737	5738	5739	-0.18	
-5737	H61	SLES	1	13.8532	24.1517	0.215196	HAL2	5736	0	0	0	0.09	
-5738	H62	SLES	1	13.611	23.7357	-1.52102	HAL2	5736	0	0	0	0.09	
-5739	C7	SLES	1	14.876	22.319	-0.421991	CTL2	5736	5740	5741	5742	-0.18	
-5740	H71	SLES	1	15.2872	22.2701	0.610611	HAL2	5739	0	0	0	0.09	
-5741	H72	SLES	1	15.7005	22.0844	-1.13157	HAL2	5739	0	0	0	0.09	
-5742	C8	SLES	1	13.7627	21.2522	-0.571244	CTL2	5739	5743	5744	5745	-0.18	
-5743	H81	SLES	1	12.8492	21.6021	-0.0378411	HAL2	5742	0	0	0	0.09	
-5744	H82	SLES	1	13.5093	21.1392	-1.64996	HAL2	5742	0	0	0	0.09	
-5745	C9	SLES	1	14.184	19.8738	-0.00300511	CTL2	5742	5746	5747	5748	-0.18	
-5746	H91	SLES	1	14.4656	19.9932	1.06788	HAL2	5745	0	0	0	0.09	
-5747	H92	SLES	1	15.0803	19.5122	-0.555515	HAL2	5745	0	0	0	0.09	
-5748	C10	SLES	1	13.0614	18.8151	-0.114076	CTL2	5745	5749	5750	5751	-0.18	
-5749	H10	SLES	1	12.1725	19.1661	0.458135	HAL2	5748	0	0	0	0.09	
-5750	H10	SLES	1	12.7639	18.7112	-1.18212	HAL2	5748	0	0	0	0.09	
-5751	C11	SLES	1	13.4973	17.4278	0.427831	CTL2	5748	5752	5753	5754	-0.18	
-5752	H11	SLES	1	13.7873	17.5358	1.49805	HAL2	5751	0	0	0	0.09	
-5753	H11	SLES	1	14.3969	17.0893	-0.135167	HAL2	5751	0	0	0	0.09	
-5754	C12	SLES	1	12.3985	16.3395	0.315134	CTL3	5751	5755	5756	5757	-0.27	
-5755	H12	SLES	1	12.1491	15.9365	1.32146	HAL3	5754	0	0	0	0.09	
-5756	H12	SLES	1	12.7496	15.5007	-0.32555	HAL3	5754	0	0	0	0.09	
-5757	H12	SLES	1	11.4755	16.7663	-0.13434	HAL3	5754	0	0	0	0.09	
-5758	NA	SLES	1	36.5766	24.7794	-0.462791	NA	0	0	0	0	1	
-5759	S	SLES	1	33.5032	26.7176	-0.847635	SL	5760	5761	5762	5763	1.33	
-5760	OS1	SLES	1	33.5624	25.0458	-0.75205	OSL	5759	5764	0	0	-0.28	
-5761	OS2	SLES	1	34.119	27.218	0.363936	O2L	5759	0	0	0	-0.65	
-5762	OS3	SLES	1	34.3061	27.0841	-1.9955	O2L	5759	0	0	0	-0.65	
-5763	OS4	SLES	1	32.1636	27.2663	-0.985391	O2L	5759	0	0	0	-0.65	
-5764	C2	SLES	1	32.1866	24.4867	-0.630867	CC32A	5760	5765	5766	5767	-0.11	
-5765	H2A	SLES	1	31.6486	24.9423	0.246719	HCA2	5764	0	0	0	0.09	
-5766	H2B	SLES	1	31.6187	24.7283	-1.57179	HCA2	5764	0	0	0	0.09	
-5767	C1	SLES	1	32.2746	22.8981	-0.44504	CC32A	5764	5768	5769	5770	-0.01	
-5768	H1B	SLES	1	32.9109	22.6543	0.436735	HCA2	5767	0	0	0	0.09	
-5769	H1A	SLES	1	32.7259	22.4342	-1.35295	HCA2	5767	0	0	0	0.09	
-5770	O1	SLES	1	31.0502	22.111	-0.201948	OC30A	5767	5771	0	0	-0.34	
-5771	C2	SLES	1	29.7982	22.7442	-0.539536	CC32A	5770	5772	5773	5774	-0.01	
-5772	H2A	SLES	1	29.8078	23.6308	0.12427	HCA2	5771	0	0	0	0.09	
-5773	H2B	SLES	1	29.9733	23.0784	-1.58693	HCA2	5771	0	0	0	0.09	
-5774	C1	SLES	1	28.4107	22.0355	-0.440349	CC32A	5771	5775	5776	5777	-0.01	
-5775	H1B	SLES	1	27.9711	22.2104	0.565741	HCA2	5774	0	0	0	0.09	
-5776	H1A	SLES	1	27.7282	22.4585	-1.20447	HCA2	5774	0	0	0	0.09	
-5777	O1	SLES	1	28.2404	20.5851	-0.54181	OC30A	5774	5778	0	0	-0.34	
-5778	C1	SLES	1	26.9487	20.1467	-1.10153	CTL2	5777	5779	5780	5781	-0.18	
-5779	H11	SLES	1	26.2967	21.0374	-1.15313	HAL2	5778	0	0	0	0.09	
-5780	H12	SLES	1	27.2443	19.862	-2.13248	HAL2	5778	0	0	0	0.09	
-5781	C2	SLES	1	26.1657	18.9552	-0.420676	CTL2	5778	5782	5783	5784	-0.18	
-5782	H21	SLES	1	26.7286	18.615	0.477176	HAL2	5781	0	0	0	0.09	
-5783	H22	SLES	1	26.1118	18.1038	-1.13395	HAL2	5781	0	0	0	0.09	
-5784	C3	SLES	1	24.6778	19.3687	0.0192694	CTL2	5781	5785	5786	5787	-0.18	
-5785	H31	SLES	1	24.6563	19.5218	1.12127	HAL2	5784	0	0	0	0.09	
-5786	H32	SLES	1	24.4127	20.3309	-0.462706	HAL2	5784	0	0	0	0.09	
-5787	C4	SLES	1	23.5917	18.282	-0.370124	CTL2	5784	5788	5789	5790	-0.18	
-5788	H41	SLES	1	23.3268	17.6976	0.535685	HAL2	5787	0	0	0	0.09	
-5789	H42	SLES	1	24.0273	17.5811	-1.11442	HAL2	5787	0	0	0	0.09	
-5790	C5	SLES	1	22.2672	18.9284	-0.980437	CTL2	5787	5791	5792	5793	-0.18	
-5791	H51	SLES	1	22.2335	20.0077	-0.713292	HAL2	5790	0	0	0	0.09	
-5792	H52	SLES	1	22.3048	18.8518	-2.09114	HAL2	5790	0	0	0	0.09	
-5793	C6	SLES	1	20.951	18.2342	-0.463497	CTL2	5790	5794	5795	5796	-0.18	
-5794	H61	SLES	1	20.7863	18.5158	0.60076	HAL2	5793	0	0	0	0.09	
-5795	H62	SLES	1	20.0855	18.6122	-1.05628	HAL2	5793	0	0	0	0.09	
-5796	C7	SLES	1	21.0032	16.6776	-0.576271	CTL2	5793	5797	5798	5799	-0.18	
-5797	H71	SLES	1	21.5693	16.2699	0.290353	HAL2	5796	0	0	0	0.09	
-5798	H72	SLES	1	21.5486	16.3981	-1.50509	HAL2	5796	0	0	0	0.09	
-5799	C8	SLES	1	19.5946	16.0338	-0.604924	CTL2	5796	5800	5801	5802	-0.18	
-5800	H81	SLES	1	18.9703	16.4876	0.198705	HAL2	5799	0	0	0	0.09	
-5801	H82	SLES	1	19.1119	16.2579	-1.58343	HAL2	5799	0	0	0	0.09	
-5802	C9	SLES	1	19.6415	14.4984	-0.403245	CTL2	5799	5803	5804	5805	-0.18	
-5803	H91	SLES	1	20.1507	14.2743	0.561528	HAL2	5802	0	0	0	0.09	
-5804	H92	SLES	1	20.2422	14.043	-1.22253	HAL2	5802	0	0	0	0.09	
-5805	C10	SLES	1	18.2344	13.8555	-0.391847	CTL2	5802	5806	5807	5808	-0.18	
-5806	H10	SLES	1	17.6408	14.2942	0.442464	HAL2	5805	0	0	0	0.09	
-5807	H10	SLES	1	17.7161	14.0978	-1.34721	HAL2	5805	0	0	0	0.09	
-5808	C11	SLES	1	18.2867	12.3141	-0.220483	CTL2	5805	5809	5810	5811	-0.18	
-5809	H11	SLES	1	18.7998	12.0771	0.739569	HAL2	5808	0	0	0	0.09	
-5810	H11	SLES	1	18.8961	11.8819	-1.04676	HAL2	5808	0	0	0	0.09	
-5811	C12	SLES	1	16.8915	11.6374	-0.221736	CTL3	5808	5812	5813	5814	-0.27	
-5812	H12	SLES	1	16.7256	11.092	0.733431	HAL3	5811	0	0	0	0.09	
-5813	H12	SLES	1	16.8143	10.9125	-1.06187	HAL3	5811	0	0	0	0.09	
-5814	H12	SLES	1	16.0912	12.4005	-0.337566	HAL3	5811	0	0	0	0.09	
-5815	NA	SLES	1	42.4025	12.2899	-1.75139	NA	0	0	0	0	1	
-5816	S	SLES	1	40.1165	15.0525	-1.04982	SL	5817	5818	5819	5820	1.33	
-5817	OS1	SLES	1	39.632	13.4806	-1.3687	OSL	5816	5821	0	0	-0.28	
-5818	OS2	SLES	1	40.9942	14.984	0.100121	O2L	5816	0	0	0	-0.65	
-5819	OS3	SLES	1	40.8615	15.4881	-2.21248	O2L	5816	0	0	0	-0.65	
-5820	OS4	SLES	1	39.0259	15.9775	-0.786033	O2L	5816	0	0	0	-0.65	
-5821	C2	SLES	1	38.1715	13.3291	-1.11532	CC32A	5817	5822	5823	5824	-0.11	
-5822	H2A	SLES	1	37.9154	13.6467	-0.0661473	HCA2	5821	0	0	0	0.09	
-5823	H2B	SLES	1	37.6134	13.9839	-1.84061	HCA2	5821	0	0	0	0.09	
-5824	C1	SLES	1	37.7516	11.7989	-1.33425	CC32A	5821	5825	5826	5827	-0.01	
-5825	H1B	SLES	1	38.3664	11.1396	-0.679198	HCA2	5824	0	0	0	0.09	
-5826	H1A	SLES	1	37.9202	11.5074	-2.39713	HCA2	5824	0	0	0	0.09	
-5827	O1	SLES	1	36.3715	11.3606	-1.04909	OC30A	5824	5828	0	0	-0.34	
-5828	C2	SLES	1	35.3685	12.3953	-0.972465	CC32A	5827	5829	5830	5831	-0.01	
-5829	H2A	SLES	1	35.7439	13.0113	-0.131944	HCA2	5828	0	0	0	0.09	
-5830	H2B	SLES	1	35.5255	12.9523	-1.92349	HCA2	5828	0	0	0	0.09	
-5831	C1	SLES	1	33.8453	12.1169	-0.773331	CC32A	5828	5832	5833	5834	-0.01	
-5832	H1B	SLES	1	33.6034	12.1128	0.311808	HCA2	5831	0	0	0	0.09	
-5833	H1A	SLES	1	33.2593	12.9192	-1.26471	HCA2	5831	0	0	0	0.09	
-5834	O1	SLES	1	33.1966	10.8698	-1.18163	OC30A	5831	5835	0	0	-0.34	
-5835	C1	SLES	1	31.7785	11.0007	-1.56365	CTL2	5834	5836	5837	5838	-0.18	
-5836	H11	SLES	1	31.4549	12.0163	-1.27203	HAL2	5835	0	0	0	0.09	
-5837	H12	SLES	1	31.8465	10.953	-2.67016	HAL2	5835	0	0	0	0.09	
-5838	C2	SLES	1	30.7281	9.94033	-1.04548	CTL2	5835	5839	5840	5841	-0.18	
-5839	H21	SLES	1	31.2443	9.20933	-0.383643	HAL2	5838	0	0	0	0.09	
-5840	H22	SLES	1	30.3173	9.38346	-1.91593	HAL2	5838	0	0	0	0.09	
-5841	C3	SLES	1	29.5186	10.6178	-0.235227	CTL2	5838	5842	5843	5844	-0.18	
-5842	H31	SLES	1	29.6721	10.4462	0.853471	HAL2	5841	0	0	0	0.09	
-5843	H32	SLES	1	29.5331	11.7118	-0.412211	HAL2	5841	0	0	0	0.09	
-5844	C4	SLES	1	28.0988	10.0484	-0.650184	CTL2	5841	5845	5846	5847	-0.18	
-5845	H41	SLES	1	27.7594	9.32936	0.124315	HAL2	5844	0	0	0	0.09	
-5846	H42	SLES	1	28.193	9.49767	-1.61082	HAL2	5844	0	0	0	0.09	
-5847	C5	SLES	1	27.0016	11.1946	-0.815488	CTL2	5844	5848	5849	5850	-0.18	
-5848	H51	SLES	1	27.3555	12.1134	-0.297765	HAL2	5847	0	0	0	0.09	
-5849	H52	SLES	1	26.8874	11.434	-1.89742	HAL2	5847	0	0	0	0.09	
-5850	C6	SLES	1	25.5969	10.7885	-0.229675	CTL2	5847	5851	5852	5853	-0.18	
-5851	H61	SLES	1	25.6543	10.7863	0.881979	HAL2	5850	0	0	0	0.09	
-5852	H62	SLES	1	24.8436	11.5528	-0.532735	HAL2	5850	0	0	0	0.09	
-5853	C7	SLES	1	25.1204	9.38392	-0.717882	CTL2	5850	5854	5855	5856	-0.18	
-5854	H71	SLES	1	25.6138	8.59936	-0.102437	HAL2	5853	0	0	0	0.09	
-5855	H72	SLES	1	25.4358	9.23989	-1.77531	HAL2	5853	0	0	0	0.09	
-5856	C8	SLES	1	23.5845	9.2077	-0.620691	CTL2	5853	5857	5858	5859	-0.18	
-5857	H81	SLES	1	23.2387	9.5696	0.374711	HAL2	5856	0	0	0	0.09	
-5858	H82	SLES	1	23.0963	9.83276	-1.40274	HAL2	5856	0	0	0	0.09	
-5859	C9	SLES	1	23.1453	7.7333	-0.803774	CTL2	5856	5860	5861	5862	-0.18	
-5860	H91	SLES	1	23.6568	7.10451	-0.0400507	HAL2	5859	0	0	0	0.09	
-5861	H92	SLES	1	23.4668	7.38116	-1.80982	HAL2	5859	0	0	0	0.09	
-5862	C10	SLES	1	21.6156	7.54589	-0.668589	CTL2	5859	5863	5864	5865	-0.18	
-5863	H10	SLES	1	21.297	7.87635	0.346341	HAL2	5862	0	0	0	0.09	
-5864	H10	SLES	1	21.1026	8.19117	-1.41724	HAL2	5862	0	0	0	0.09	
-5865	C11	SLES	1	21.1761	6.07319	-0.882999	CTL2	5862	5866	5867	5868	-0.18	
-5866	H11	SLES	1	21.6865	5.4329	-0.127589	HAL2	5865	0	0	0	0.09	
-5867	H11	SLES	1	21.5125	5.74173	-1.89189	HAL2	5865	0	0	0	0.09	
-5868	C12	SLES	1	19.645	5.85517	-0.770231	CTL3	5865	5869	5870	5871	-0.27	
-5869	H12	SLES	1	19.4167	5.12909	0.0409615	HAL3	5868	0	0	0	0.09	
-5870	H12	SLES	1	19.2398	5.45706	-1.72662	HAL3	5868	0	0	0	0.09	
-5871	H12	SLES	1	19.1331	6.81513	-0.540874	HAL3	5868	0	0	0	0.09	
-5872	NA	SLES	1	44.0666	-1.13541	-2.98795	NA	0	0	0	0	1	
-5873	S	SLES	1	42.8026	1.82887	-1.26578	SL	5874	5875	5876	5877	1.33	
-5874	OS1	SLES	1	41.8331	0.654828	-1.96505	OSL	5873	5878	0	0	-0.28	
-5875	OS2	SLES	1	43.6309	1.14783	-0.292291	O2L	5873	0	0	0	-0.65	
-5876	OS3	SLES	1	43.6285	2.35649	-2.33166	O2L	5873	0	0	0	-0.65	
-5877	OS4	SLES	1	42.0721	2.91029	-0.624513	O2L	5873	0	0	0	-0.65	
-5878	C2	SLES	1	40.4059	0.879636	-1.60046	CC32A	5874	5879	5880	5881	-0.11	
-5879	H2A	SLES	1	40.2832	0.91939	-0.482181	HCA2	5878	0	0	0	0.09	
-5880	H2B	SLES	1	40.0759	1.8623	-2.03833	HCA2	5878	0	0	0	0.09	
-5881	C1	SLES	1	39.5125	-0.307035	-2.20007	CC32A	5878	5882	5883	5884	-0.01	
-5882	H1B	SLES	1	39.8936	-1.28918	-1.83678	HCA2	5881	0	0	0	0.09	
-5883	H1A	SLES	1	39.5606	-0.292756	-3.31391	HCA2	5881	0	0	0	0.09	
-5884	O1	SLES	1	38.0698	-0.375096	-1.89685	OC30A	5881	5885	0	0	-0.34	
-5885	C2	SLES	1	37.4543	0.8368	-1.41205	CC32A	5884	5886	5887	5888	-0.01	
-5886	H2A	SLES	1	38.0219	1.02015	-0.478749	HCA2	5885	0	0	0	0.09	
-5887	H2B	SLES	1	37.7662	1.58564	-2.17451	HCA2	5885	0	0	0	0.09	
-5888	C1	SLES	1	35.9261	0.982626	-1.12835	CC32A	5885	5889	5890	5891	-0.01	
-5889	H1B	SLES	1	35.714	0.716776	-0.069871	HCA2	5888	0	0	0	0.09	
-5890	H1A	SLES	1	35.6211	2.03466	-1.29819	HCA2	5888	0	0	0	0.09	
-5891	O1	SLES	1	34.904	0.178728	-1.80058	OC30A	5888	5892	0	0	-0.34	
-5892	C1	SLES	1	33.5972	0.841706	-1.96401	CTL2	5891	5893	5894	5895	-0.18	
-5893	H11	SLES	1	33.6223	1.76544	-1.35799	HAL2	5892	0	0	0	0.09	
-5894	H12	SLES	1	33.6276	1.11975	-3.03781	HAL2	5892	0	0	0	0.09	
-5895	C2	SLES	1	32.2704	0.0412081	-1.65556	CTL2	5892	5896	5897	5898	-0.18	
-5896	H21	SLES	1	32.5351	-0.978032	-1.29513	HAL2	5895	0	0	0	0.09	
-5897	H22	SLES	1	31.6877	-0.0688735	-2.59628	HAL2	5895	0	0	0	0.09	
-5898	C3	SLES	1	31.3568	0.766496	-0.552035	CTL2	5895	5899	5900	5901	-0.18	
-5899	H31	SLES	1	31.4652	0.229361	0.41648	HAL2	5898	0	0	0	0.09	
-5900	H32	SLES	1	31.7194	1.80378	-0.407852	HAL2	5898	0	0	0	0.09	
-5901	C4	SLES	1	29.8226	0.808243	-0.947733	CTL2	5898	5902	5903	5904	-0.18	
-5902	H41	SLES	1	29.2829	0.0225727	-0.378831	HAL2	5901	0	0	0	0.09	
-5903	H42	SLES	1	29.7185	0.57948	-2.03026	HAL2	5901	0	0	0	0.09	
-5904	C5	SLES	1	29.1497	2.22369	-0.650247	CTL2	5901	5905	5906	5907	-0.18	
-5905	H51	SLES	1	29.7889	2.78636	0.065489	HAL2	5904	0	0	0	0.09	
-5906	H52	SLES	1	29.1004	2.80805	-1.59737	HAL2	5904	0	0	0	0.09	
-5907	C6	SLES	1	27.699	2.0994	-0.0489993	CTL2	5904	5908	5909	5910	-0.18	
-5908	H61	SLES	1	27.7713	1.73696	1.00099	HAL2	5907	0	0	0	0.09	
-5909	H62	SLES	1	27.2266	3.10933	-0.0315289	HAL2	5907	0	0	0	0.09	
-5910	C7	SLES	1	26.788	1.12619	-0.862156	CTL2	5907	5911	5912	5913	-0.18	
-5911	H71	SLES	1	27.0131	0.0797929	-0.558625	HAL2	5910	0	0	0	0.09	
-5912	H72	SLES	1	27.0225	1.22771	-1.94523	HAL2	5910	0	0	0	0.09	
-5913	C8	SLES	1	25.2789	1.39956	-0.64459	CTL2	5910	5914	5915	5916	-0.18	
-5914	H81	SLES	1	25.0846	1.52294	0.445557	HAL2	5913	0	0	0	0.09	
-5915	H82	SLES	1	25.0046	2.3519	-1.15297	HAL2	5913	0	0	0	0.09	
-5916	C9	SLES	1	24.3858	0.257991	-1.19187	CTL2	5913	5917	5918	5919	-0.18	
-5917	H91	SLES	1	24.6807	-0.69909	-0.704665	HAL2	5916	0	0	0	0.09	
-5918	H92	SLES	1	24.5601	0.154028	-2.28655	HAL2	5916	0	0	0	0.09	
-5919	C10	SLES	1	22.8796	0.507673	-0.942094	CTL2	5916	5920	5921	5922	-0.18	
-5920	H10	SLES	1	22.7013	0.588454	0.154477	HAL2	5919	0	0	0	0.09	
-5921	H10	SLES	1	22.5889	1.47542	-1.41007	HAL2	5919	0	0	0	0.09	
-5922	C11	SLES	1	21.9863	-0.622606	-1.51864	CTL2	5919	5923	5924	5925	-0.18	
-5923	H11	SLES	1	22.2762	-1.58715	-1.04252	HAL2	5922	0	0	0	0.09	
-5924	H11	SLES	1	22.1813	-0.711539	-2.61181	HAL2	5922	0	0	0	0.09	
-5925	C12	SLES	1	20.4685	-0.393205	-1.29882	CTL3	5922	5926	5927	5928	-0.27	
-5926	H12	SLES	1	20.0325	-1.23	-0.709755	HAL3	5925	0	0	0	0.09	
-5927	H12	SLES	1	19.9408	-0.335209	-2.27633	HAL3	5925	0	0	0	0.09	
-5928	H12	SLES	1	20.2965	0.556229	-0.746446	HAL3	5925	0	0	0	0.09	
-5929	NA	SLES	1	41.6356	-14.2042	-4.09909	NA	0	0	0	0	1	
-5930	S	SLES	1	41.219	-11.6487	-1.52105	SL	5931	5932	5933	5934	1.33	
-5931	OS1	SLES	1	39.9925	-12.1861	-2.52818	OSL	5930	5935	0	0	-0.28	
-5932	OS2	SLES	1	41.7147	-12.8164	-0.822308	O2L	5930	0	0	0	-0.65	
-5933	OS3	SLES	1	42.2502	-11.1198	-2.38902	O2L	5930	0	0	0	-0.65	
-5934	OS4	SLES	1	40.8107	-10.6342	-0.562628	O2L	5930	0	0	0	-0.65	
-5935	C2	SLES	1	38.6809	-11.637	-2.08273	CC32A	5931	5936	5937	5938	-0.11	
-5936	H2A	SLES	1	38.4876	-11.8959	-1.00443	HCA2	5935	0	0	0	0.09	
-5937	H2B	SLES	1	38.7079	-10.5171	-2.18932	HCA2	5935	0	0	0	0.09	
-5938	C1	SLES	1	37.5148	-12.2398	-3.00056	CC32A	5935	5939	5940	5941	-0.01	
-5939	H1B	SLES	1	37.5423	-13.3533	-2.9658	HCA2	5938	0	0	0	0.09	
-5940	H1A	SLES	1	37.6538	-11.9098	-4.05644	HCA2	5938	0	0	0	0.09	
-5941	O1	SLES	1	36.1026	-11.9308	-2.70347	OC30A	5938	5942	0	0	-0.34	
-5942	C2	SLES	1	35.8563	-10.789	-1.85599	CC32A	5941	5943	5944	5945	-0.01	
-5943	H2A	SLES	1	36.3762	-11.084	-0.923532	HCA2	5942	0	0	0	0.09	
-5944	H2B	SLES	1	36.4448	-9.98748	-2.35659	HCA2	5942	0	0	0	0.09	
-5945	C1	SLES	1	34.4309	-10.2544	-1.50975	CC32A	5942	5946	5947	5948	-0.01	
-5946	H1B	SLES	1	34.0629	-10.7418	-0.580715	HCA2	5945	0	0	0	0.09	
-5947	H1A	SLES	1	34.4817	-9.16014	-1.34054	HCA2	5945	0	0	0	0.09	
-5948	O1	SLES	1	33.2672	-10.4502	-2.37593	OC30A	5945	5949	0	0	-0.34	
-5949	C1	SLES	1	32.2477	-9.38778	-2.29999	CTL2	5948	5950	5951	5952	-0.18	
-5950	H11	SLES	1	32.5093	-8.74596	-1.43929	HAL2	5949	0	0	0	0.09	
-5951	H12	SLES	1	32.4486	-8.82686	-3.23609	HAL2	5949	0	0	0	0.09	
-5952	C2	SLES	1	30.718	-9.77603	-2.2262	CTL2	5949	5953	5954	5955	-0.18	
-5953	H21	SLES	1	30.624	-10.8848	-2.2032	HAL2	5952	0	0	0	0.09	
-5954	H22	SLES	1	30.2071	-9.40807	-3.14282	HAL2	5952	0	0	0	0.09	
-5955	C3	SLES	1	29.989	-9.1614	-0.934226	CTL2	5952	5956	5957	5958	-0.18	
-5956	H31	SLES	1	29.8478	-9.96826	-0.181019	HAL2	5955	0	0	0	0.09	
-5957	H32	SLES	1	30.6424	-8.38736	-0.48467	HAL2	5955	0	0	0	0.09	
-5958	C4	SLES	1	28.58	-8.51567	-1.26608	CTL2	5955	5959	5960	5961	-0.18	
-5959	H41	SLES	1	27.7798	-9.21975	-0.956228	HAL2	5958	0	0	0	0.09	
-5960	H42	SLES	1	28.4971	-8.36498	-2.36402	HAL2	5958	0	0	0	0.09	
-5961	C5	SLES	1	28.3574	-7.11656	-0.532788	CTL2	5958	5962	5963	5964	-0.18	
-5962	H51	SLES	1	29.0801	-7.02837	0.308267	HAL2	5961	0	0	0	0.09	
-5963	H52	SLES	1	28.5675	-6.2925	-1.25231	HAL2	5961	0	0	0	0.09	
-5964	C6	SLES	1	26.8964	-6.9445	0.0305558	CTL2	5961	5965	5966	5967	-0.18	
-5965	H61	SLES	1	26.7686	-7.60703	0.915869	HAL2	5964	0	0	0	0.09	
-5966	H62	SLES	1	26.7604	-5.89053	0.368357	HAL2	5964	0	0	0	0.09	
-5967	C7	SLES	1	25.7968	-7.28602	-1.02417	CTL2	5964	5968	5969	5970	-0.18	
-5968	H71	SLES	1	25.6615	-8.38963	-1.06284	HAL2	5967	0	0	0	0.09	
-5969	H72	SLES	1	26.137	-6.94624	-2.02773	HAL2	5967	0	0	0	0.09	
-5970	C8	SLES	1	24.4344	-6.62308	-0.701873	CTL2	5967	5971	5972	5973	-0.18	
-5971	H81	SLES	1	24.2013	-6.77553	0.376946	HAL2	5970	0	0	0	0.09	
-5972	H82	SLES	1	24.5103	-5.52721	-0.886014	HAL2	5970	0	0	0	0.09	
-5973	C9	SLES	1	23.2782	-7.20111	-1.55603	CTL2	5970	5974	5975	5976	-0.18	
-5974	H91	SLES	1	23.2221	-8.30152	-1.39391	HAL2	5973	0	0	0	0.09	
-5975	H92	SLES	1	23.4987	-7.02345	-2.63275	HAL2	5973	0	0	0	0.09	
-5976	C10	SLES	1	21.9087	-6.57004	-1.21047	CTL2	5973	5977	5978	5979	-0.18	
-5977	H10	SLES	1	21.6771	-6.76783	-0.139007	HAL2	5976	0	0	0	0.09	
-5978	H10	SLES	1	21.9706	-5.46712	-1.35109	HAL2	5976	0	0	0	0.09	
-5979	C11	SLES	1	20.7582	-7.1291	-2.08897	CTL2	5976	5980	5981	5982	-0.18	
-5980	H11	SLES	1	20.6959	-8.23133	-1.93959	HAL2	5979	0	0	0	0.09	
-5981	H11	SLES	1	21.0028	-6.94499	-3.16005	HAL2	5979	0	0	0	0.09	
-5982	C12	SLES	1	19.3738	-6.50363	-1.77791	CTL3	5979	5983	5984	5985	-0.27	
-5983	H12	SLES	1	18.6542	-7.2928	-1.46678	HAL3	5982	0	0	0	0.09	
-5984	H12	SLES	1	18.97	-5.99108	-2.6788	HAL3	5982	0	0	0	0.09	
-5985	H12	SLES	1	19.4609	-5.75972	-0.956242	HAL3	5982	0	0	0	0.09	
-5986	NA	SLES	1	35.52	-25.7909	-5.02373	NA	0	0	0	0	1	
-5987	S	SLES	1	35.4605	-24.0039	-1.83726	SL	5988	5989	5990	5991	1.33	
-5988	OS1	SLES	1	34.3178	-23.8179	-3.04844	OSL	5987	5992	0	0	-0.28	
-5989	OS2	SLES	1	35.4576	-25.4088	-1.48541	O2L	5987	0	0	0	-0.65	
-5990	OS3	SLES	1	36.7339	-23.6467	-2.42663	O2L	5987	0	0	0	-0.65	
-5991	OS4	SLES	1	35.2198	-23.1961	-0.652396	O2L	5987	0	0	0	-0.65	
-5992	C2	SLES	1	33.176	-22.9952	-2.55885	CC32A	5988	5993	5994	5995	-0.11	
-5993	H2A	SLES	1	32.7347	-23.4438	-1.62548	HCA2	5992	0	0	0	0.09	
-5994	H2B	SLES	1	33.5553	-21.9625	-2.32254	HCA2	5992	0	0	0	0.09	
-5995	C1	SLES	1	32.0552	-22.9118	-3.70018	CC32A	5992	5996	5997	5998	-0.01	
-5996	H1B	SLES	1	31.7411	-23.9384	-3.99878	HCA2	5995	0	0	0	0.09	
-5997	H1A	SLES	1	32.463	-22.3863	-4.59501	HCA2	5995	0	0	0	0.09	
-5998	O1	SLES	1	30.7719	-22.2344	-3.43123	OC30A	5995	5999	0	0	-0.34	
-5999	C2	SLES	1	30.7402	-21.3369	-2.30154	CC32A	5998	6000	6001	6002	-0.01	
-6000	H2A	SLES	1	30.9824	-22.0202	-1.46404	HCA2	5999	0	0	0	0.09	
-6001	H2B	SLES	1	31.6177	-20.6792	-2.49314	HCA2	5999	0	0	0	0.09	
-6002	C1	SLES	1	29.5039	-20.4635	-1.91924	CC32A	5999	6003	6004	6005	-0.01	
-6003	H1B	SLES	1	28.8553	-21.0217	-1.20944	HCA2	6002	0	0	0	0.09	
-6004	H1A	SLES	1	29.8513	-19.5334	-1.42652	HCA2	6002	0	0	0	0.09	
-6005	O1	SLES	1	28.4988	-20.0257	-2.88926	OC30A	6002	6006	0	0	-0.34	
-6006	C1	SLES	1	27.8476	-18.7407	-2.5753	CTL2	6005	6007	6008	6009	-0.18	
-6007	H11	SLES	1	28.1405	-18.4701	-1.54467	HAL2	6006	0	0	0	0.09	
-6008	H12	SLES	1	28.3626	-18.0579	-3.28235	HAL2	6006	0	0	0	0.09	
-6009	C2	SLES	1	26.2825	-18.5974	-2.73656	CTL2	6006	6010	6011	6012	-0.18	
-6010	H21	SLES	1	25.8577	-19.576	-3.05409	HAL2	6009	0	0	0	0.09	
-6011	H22	SLES	1	26.068	-17.8553	-3.53645	HAL2	6009	0	0	0	0.09	
-6012	C3	SLES	1	25.5643	-18.1303	-1.37844	CTL2	6009	6013	6014	6015	-0.18	
-6013	H31	SLES	1	25.0625	-19.0085	-0.914554	HAL2	6012	0	0	0	0.09	
-6014	H32	SLES	1	26.3342	-17.7652	-0.669733	HAL2	6012	0	0	0	0.09	
-6015	C4	SLES	1	24.4913	-16.9863	-1.6065	CTL2	6012	6016	6017	6018	-0.18	
-6016	H41	SLES	1	23.4764	-17.4352	-1.58304	HAL2	6015	0	0	0	0.09	
-6017	H42	SLES	1	24.6441	-16.5378	-2.61177	HAL2	6015	0	0	0	0.09	
-6018	C5	SLES	1	24.5783	-15.8342	-0.5065	CTL2	6015	6019	6020	6021	-0.18	
-6019	H51	SLES	1	25.1413	-16.2148	0.374189	HAL2	6018	0	0	0	0.09	
-6020	H52	SLES	1	25.1443	-14.9723	-0.928005	HAL2	6018	0	0	0	0.09	
-6021	C6	SLES	1	23.1632	-15.3334	-0.0290594	CTL2	6018	6022	6023	6024	-0.18	
-6022	H61	SLES	1	22.6949	-16.1195	0.60473	HAL2	6021	0	0	0	0.09	
-6023	H62	SLES	1	23.2947	-14.4206	0.597876	HAL2	6021	0	0	0	0.09	
-6024	C7	SLES	1	22.2064	-15.0002	-1.21724	CTL2	6021	6025	6026	6027	-0.18	
-6025	H71	SLES	1	21.7547	-15.9442	-1.59498	HAL2	6024	0	0	0	0.09	
-6026	H72	SLES	1	22.7972	-14.5471	-2.04425	HAL2	6024	0	0	0	0.09	
-6027	C8	SLES	1	21.0717	-14.0255	-0.814515	CTL2	6024	6028	6029	6030	-0.18	
-6028	H81	SLES	1	20.6251	-14.3645	0.14828	HAL2	6027	0	0	0	0.09	
-6029	H82	SLES	1	21.503	-13.0109	-0.655471	HAL2	6027	0	0	0	0.09	
-6030	C9	SLES	1	19.957	-13.9395	-1.88708	CTL2	6027	6031	6032	6033	-0.18	
-6031	H91	SLES	1	19.5467	-14.9591	-2.06695	HAL2	6030	0	0	0	0.09	
-6032	H92	SLES	1	20.3991	-13.574	-2.84128	HAL2	6030	0	0	0	0.09	
-6033	C10	SLES	1	18.8022	-12.9973	-1.47232	CTL2	6030	6034	6035	6036	-0.18	
-6034	H10	SLES	1	18.3446	-13.3759	-0.53	HAL2	6033	0	0	0	0.09	
-6035	H10	SLES	1	19.2151	-11.9829	-1.27083	HAL2	6033	0	0	0	0.09	
-6036	C11	SLES	1	17.7026	-12.8897	-2.56193	CTL2	6033	6037	6038	6039	-0.18	
-6037	H11	SLES	1	17.2882	-13.9056	-2.75491	HAL2	6036	0	0	0	0.09	
-6038	H11	SLES	1	18.1683	-12.5279	-3.507	HAL2	6036	0	0	0	0.09	
-6039	C12	SLES	1	16.538	-11.9386	-2.18277	CTL3	6036	6040	6041	6042	-0.27	
-6040	H12	SLES	1	15.5731	-12.4921	-2.17753	HAL3	6039	0	0	0	0.09	
-6041	H12	SLES	1	16.4648	-11.1056	-2.91632	HAL3	6039	0	0	0	0.09	
-6042	H12	SLES	1	16.7043	-11.5069	-1.1718	HAL3	6039	0	0	0	0.09	
-6043	NA	SLES	1	26.3667	-34.9881	-5.71907	NA	0	0	0	0	1	
-6044	S	SLES	1	26.075	-33.9431	-2.23006	SL	6045	6046	6047	6048	1.33	
-6045	OS1	SLES	1	25.3663	-33.143	-3.52036	OSL	6044	6049	0	0	-0.28	
-6046	OS2	SLES	1	25.5702	-35.3001	-2.26395	O2L	6044	0	0	0	-0.65	
-6047	OS3	SLES	1	27.4997	-33.9413	-2.48853	O2L	6044	0	0	0	-0.65	
-6048	OS4	SLES	1	25.8072	-33.3473	-0.930937	O2L	6044	0	0	0	-0.65	
-6049	C2	SLES	1	24.4377	-32.0875	-3.02614	CC32A	6045	6050	6051	6052	-0.11	
-6050	H2A	SLES	1	23.6719	-32.5275	-2.3282	HCA2	6049	0	0	0	0.09	
-6051	H2B	SLES	1	25.0381	-31.3161	-2.46872	HCA2	6049	0	0	0	0.09	
-6052	C1	SLES	1	23.7019	-31.4028	-4.2733	CC32A	6049	6053	6054	6055	-0.01	
-6053	H1B	SLES	1	23.1786	-32.1791	-4.87768	HCA2	6052	0	0	0	0.09	
-6054	H1A	SLES	1	24.4504	-30.8882	-4.91992	HCA2	6052	0	0	0	0.09	
-6055	O1	SLES	1	22.6527	-30.3892	-4.05013	OC30A	6052	6056	0	0	-0.34	
-6056	C2	SLES	1	22.6179	-29.7727	-2.74579	CC32A	6055	6057	6058	6059	-0.01	
-6057	H2A	SLES	1	22.4369	-30.6457	-2.0886	HCA2	6056	0	0	0	0.09	
-6058	H2B	SLES	1	23.6702	-29.4351	-2.61203	HCA2	6056	0	0	0	0.09	
-6059	C1	SLES	1	21.643	-28.6173	-2.35579	CC32A	6056	6060	6061	6062	-0.01	
-6060	H1B	SLES	1	20.7069	-29.043	-1.93313	HCA2	6059	0	0	0	0.09	
-6061	H1A	SLES	1	22.1216	-27.9787	-1.58662	HCA2	6059	0	0	0	0.09	
-6062	O1	SLES	1	21.0781	-27.6803	-3.32823	OC30A	6059	6063	0	0	-0.34	
-6063	C1	SLES	1	20.7825	-26.336	-2.79958	CTL2	6062	6064	6065	6066	-0.18	
-6064	H11	SLES	1	20.8852	-26.3881	-1.70053	HAL2	6063	0	0	0	0.09	
-6065	H12	SLES	1	21.6315	-25.7503	-3.20885	HAL2	6063	0	0	0	0.09	
-6066	C2	SLES	1	19.4178	-25.6322	-3.17169	CTL2	6063	6067	6068	6069	-0.18	
-6067	H21	SLES	1	18.8111	-26.3224	-3.7996	HAL2	6066	0	0	0	0.09	
-6068	H22	SLES	1	19.6328	-24.7219	-3.77315	HAL2	6066	0	0	0	0.09	
-6069	C3	SLES	1	18.5659	-25.2177	-1.8752	CTL2	6066	6070	6071	6072	-0.18	
-6070	H31	SLES	1	17.7295	-25.9403	-1.74625	HAL2	6069	0	0	0	0.09	
-6071	H32	SLES	1	19.215	-25.2857	-0.979469	HAL2	6069	0	0	0	0.09	
-6072	C4	SLES	1	17.9693	-23.7522	-1.96807	CTL2	6069	6073	6074	6075	-0.18	
-6073	H41	SLES	1	16.8925	-23.8182	-2.22955	HAL2	6072	0	0	0	0.09	
-6074	H42	SLES	1	18.4859	-23.1988	-2.78166	HAL2	6072	0	0	0	0.09	
-6075	C5	SLES	1	18.127	-22.9373	-0.60582	CTL2	6072	6076	6077	6078	-0.18	
-6076	H51	SLES	1	18.3219	-23.6517	0.224246	HAL2	6075	0	0	0	0.09	
-6077	H52	SLES	1	19.0076	-22.26	-0.688225	HAL2	6075	0	0	0	0.09	
-6078	C6	SLES	1	16.8533	-22.0805	-0.252217	CTL2	6075	6079	6080	6081	-0.18	
-6079	H61	SLES	1	16.0343	-22.7631	0.0679284	HAL2	6078	0	0	0	0.09	
-6080	H62	SLES	1	17.0949	-21.4092	0.604711	HAL2	6078	0	0	0	0.09	
-6081	C7	SLES	1	16.3544	-21.2141	-1.45165	CTL2	6078	6082	6083	6084	-0.18	
-6082	H71	SLES	1	15.7476	-21.8516	-2.13216	HAL2	6081	0	0	0	0.09	
-6083	H72	SLES	1	17.2341	-20.8422	-2.02276	HAL2	6081	0	0	0	0.09	
-6084	C8	SLES	1	15.4986	-20.0048	-0.999053	CTL2	6081	6085	6086	6087	-0.18	
-6085	H81	SLES	1	14.7533	-20.3479	-0.245296	HAL2	6084	0	0	0	0.09	
-6086	H82	SLES	1	16.1602	-19.253	-0.511382	HAL2	6084	0	0	0	0.09	
-6087	C9	SLES	1	14.7526	-19.333	-2.17912	CTL2	6084	6088	6089	6090	-0.18	
-6088	H91	SLES	1	14.1139	-20.0926	-2.68449	HAL2	6087	0	0	0	0.09	
-6089	H92	SLES	1	15.4995	-18.9656	-2.9185	HAL2	6087	0	0	0	0.09	
-6090	C10	SLES	1	13.8656	-18.1489	-1.72688	CTL2	6087	6091	6092	6093	-0.18	
-6091	H10	SLES	1	13.1033	-18.5206	-1.00479	HAL2	6090	0	0	0	0.09	
-6092	H10	SLES	1	14.4999	-17.3992	-1.2019	HAL2	6090	0	0	0	0.09	
-6093	C11	SLES	1	13.1441	-17.4592	-2.91503	CTL2	6090	6094	6095	6096	-0.18	
-6094	H11	SLES	1	12.5058	-18.2115	-3.43259	HAL2	6093	0	0	0	0.09	
-6095	H11	SLES	1	13.9096	-17.1052	-3.64284	HAL2	6093	0	0	0	0.09	
-6096	C12	SLES	1	12.2593	-16.2567	-2.49595	CTL3	6093	6097	6098	6099	-0.27	
-6097	H12	SLES	1	11.2021	-16.4324	-2.79394	HAL3	6096	0	0	0	0.09	
-6098	H12	SLES	1	12.6158	-15.3247	-2.98737	HAL3	6096	0	0	0	0.09	
-6099	H12	SLES	1	12.2976	-16.1133	-1.39409	HAL3	6096	0	0	0	0.09	
-6100	NA	SLES	1	14.9747	-41.1076	-6.16487	NA	0	0	0	0	1	
-6101	S	SLES	1	14.0185	-40.4124	-2.70757	SL	6102	6103	6104	6105	1.33	
-6102	OS1	SLES	1	13.9907	-39.2811	-3.94322	OSL	6101	6106	0	0	-0.28	
-6103	OS2	SLES	1	13.1581	-41.4985	-3.12892	O2L	6101	0	0	0	-0.65	
-6104	OS3	SLES	1	15.3873	-40.8757	-2.61635	O2L	6101	0	0	0	-0.65	
-6105	OS4	SLES	1	13.5806	-39.9059	-1.4168	O2L	6101	0	0	0	-0.65	
-6106	C2	SLES	1	13.3251	-38.03	-3.48274	CC32A	6102	6107	6108	6109	-0.11	
-6107	H2A	SLES	1	12.2945	-38.2509	-3.08739	HCA2	6106	0	0	0	0.09	
-6108	H2B	SLES	1	13.9432	-37.5796	-2.65731	HCA2	6106	0	0	0	0.09	
-6109	C1	SLES	1	13.2253	-37.0015	-4.70669	CC32A	6106	6110	6111	6112	-0.01	
-6110	H1B	SLES	1	12.6893	-37.4781	-5.55955	HCA2	6109	0	0	0	0.09	
-6111	H1A	SLES	1	14.2479	-36.7107	-5.0425	HCA2	6109	0	0	0	0.09	
-6112	O1	SLES	1	12.5158	-35.7182	-4.54086	OC30A	6109	6113	0	0	-0.34	
-6113	C2	SLES	1	12.2942	-35.2735	-3.18594	CC32A	6112	6114	6115	6116	-0.01	
-6114	H2A	SLES	1	11.675	-36.096	-2.77723	HCA2	6113	0	0	0	0.09	
-6115	H2B	SLES	1	13.3135	-35.3377	-2.74288	HCA2	6113	0	0	0	0.09	
-6116	C1	SLES	1	11.647	-33.9019	-2.81568	CC32A	6113	6117	6118	6119	-0.01	
-6117	H1B	SLES	1	10.5457	-34.0206	-2.71953	HCA2	6116	0	0	0	0.09	
-6118	H1A	SLES	1	12.0531	-33.5561	-1.84401	HCA2	6116	0	0	0	0.09	
-6119	O1	SLES	1	11.6995	-32.7274	-3.68777	OC30A	6116	6120	0	0	-0.34	
-6120	C1	SLES	1	11.6864	-31.4299	-2.98752	CTL2	6119	6121	6122	6123	-0.18	
-6121	H11	SLES	1	11.4461	-31.6336	-1.92829	HAL2	6120	0	0	0	0.09	
-6122	H12	SLES	1	12.7532	-31.1335	-3.0597	HAL2	6120	0	0	0	0.09	
-6123	C2	SLES	1	10.7684	-30.2613	-3.52404	CTL2	6120	6124	6125	6126	-0.18	
-6124	H21	SLES	1	10.1895	-30.6262	-4.40188	HAL2	6123	0	0	0	0.09	
-6125	H22	SLES	1	11.4137	-29.422	-3.8643	HAL2	6123	0	0	0	0.09	
-6126	C3	SLES	1	9.74595	-29.7212	-2.40985	CTL2	6123	6127	6128	6129	-0.18	
-6127	H31	SLES	1	8.73002	-30.1192	-2.62853	HAL2	6126	0	0	0	0.09	
-6128	H32	SLES	1	10.0557	-30.1067	-1.41803	HAL2	6126	0	0	0	0.09	
-6129	C4	SLES	1	9.67585	-28.139	-2.34779	CTL2	6126	6130	6131	6132	-0.18	
-6130	H41	SLES	1	8.75378	-27.7993	-2.86407	HAL2	6129	0	0	0	0.09	
-6131	H42	SLES	1	10.548	-27.7135	-2.88949	HAL2	6129	0	0	0	0.09	
-6132	C5	SLES	1	9.67258	-27.5823	-0.852834	CTL2	6129	6133	6134	6135	-0.18	
-6133	H51	SLES	1	9.39283	-28.4059	-0.15933	HAL2	6132	0	0	0	0.09	
-6134	H52	SLES	1	10.7015	-27.247	-0.58844	HAL2	6132	0	0	0	0.09	
-6135	C6	SLES	1	8.6739	-26.3816	-0.647196	CTL2	6132	6136	6137	6138	-0.18	
-6136	H61	SLES	1	7.63066	-26.7691	-0.671955	HAL2	6135	0	0	0	0.09	
-6137	H62	SLES	1	8.84938	-25.9329	0.35844	HAL2	6135	0	0	0	0.09	
-6138	C7	SLES	1	8.8306	-25.271	-1.73361	CTL2	6135	6139	6140	6141	-0.18	
-6139	H71	SLES	1	8.28291	-25.5811	-2.65102	HAL2	6138	0	0	0	0.09	
-6140	H72	SLES	1	9.90726	-25.1669	-1.99497	HAL2	6138	0	0	0	0.09	
-6141	C8	SLES	1	8.28976	-23.8972	-1.26495	CTL2	6138	6142	6143	6144	-0.18	
-6142	H81	SLES	1	7.29104	-24.0409	-0.792398	HAL2	6141	0	0	0	0.09	
-6143	H82	SLES	1	8.97759	-23.4787	-0.495301	HAL2	6141	0	0	0	0.09	
-6144	C9	SLES	1	8.1574	-22.8846	-2.43005	CTL2	6141	6145	6146	6147	-0.18	
-6145	H91	SLES	1	7.49304	-23.3164	-3.21269	HAL2	6144	0	0	0	0.09	
-6146	H92	SLES	1	9.16073	-22.7203	-2.88373	HAL2	6144	0	0	0	0.09	
-6147	C10	SLES	1	7.58069	-21.5234	-1.97411	CTL2	6144	6148	6149	6150	-0.18	
-6148	H10	SLES	1	6.56699	-21.6845	-1.5414	HAL2	6147	0	0	0	0.09	
-6149	H10	SLES	1	8.23236	-21.1014	-1.17583	HAL2	6147	0	0	0	0.09	
-6150	C11	SLES	1	7.47831	-20.5017	-3.13757	CTL2	6147	6151	6152	6153	-0.18	
-6151	H11	SLES	1	6.82011	-20.9255	-3.93023	HAL2	6150	0	0	0	0.09	
-6152	H11	SLES	1	8.49109	-20.3576	-3.57852	HAL2	6150	0	0	0	0.09	
-6153	C12	SLES	1	6.91872	-19.1205	-2.70899	CTL3	6150	6154	6155	6156	-0.27	
-6154	H12	SLES	1	5.99166	-18.8859	-3.2772	HAL3	6153	0	0	0	0.09	
-6155	H12	SLES	1	7.66735	-18.3219	-2.90681	HAL3	6153	0	0	0	0.09	
-6156	H12	SLES	1	6.67859	-19.12	-1.62342	HAL3	6153	0	0	0	0.09	
-6157	NA	SLES	1	2.25296	-43.6633	-6.36543	NA	0	0	0	0	1	
-6158	S	SLES	1	0.550476	-42.7319	-3.26954	SL	6159	6160	6161	6162	1.33	
-6159	OS1	SLES	1	1.26647	-41.6416	-4.32112	OSL	6158	6163	0	0	-0.28	
-6160	OS2	SLES	1	-0.436321	-43.4571	-4.04274	O2L	6158	0	0	0	-0.65	
-6161	OS3	SLES	1	1.60213	-43.6323	-2.84528	O2L	6158	0	0	0	-0.65	
-6162	OS4	SLES	1	-0.0791193	-42.1244	-2.10809	O2L	6158	0	0	0	-0.65	
-6163	C2	SLES	1	0.925617	-40.2453	-3.92788	CC32A	6159	6164	6165	6166	-0.11	
-6164	H2A	SLES	1	-0.190478	-40.1097	-3.87224	HCA2	6163	0	0	0	0.09	
-6165	H2B	SLES	1	1.36839	-40.0417	-2.9136	HCA2	6163	0	0	0	0.09	
-6166	C1	SLES	1	1.54071	-39.2274	-5.0009	CC32A	6163	6167	6168	6169	-0.01	
-6167	H1B	SLES	1	1.17167	-39.483	-6.02083	HCA2	6166	0	0	0	0.09	
-6168	H1A	SLES	1	2.65359	-39.2954	-4.99402	HCA2	6166	0	0	0	0.09	
-6169	O1	SLES	1	1.26164	-37.782	-4.8967	OC30A	6166	6170	0	0	-0.34	
-6170	C2	SLES	1	0.786507	-37.3068	-3.61958	CC32A	6169	6171	6172	6173	-0.01	
-6171	H2A	SLES	1	-0.156238	-37.8766	-3.50362	HCA2	6170	0	0	0	0.09	
-6172	H2B	SLES	1	1.54324	-37.7181	-2.91417	HCA2	6170	0	0	0	0.09	
-6173	C1	SLES	1	0.528264	-35.8022	-3.29287	CC32A	6170	6174	6175	6176	-0.01	
-6174	H1B	SLES	1	-0.526385	-35.5425	-3.53014	HCA2	6173	0	0	0	0.09	
-6175	H1A	SLES	1	0.702575	-35.6273	-2.21231	HCA2	6173	0	0	0	0.09	
-6176	O1	SLES	1	1.21789	-34.7032	-3.97065	OC30A	6173	6177	0	0	-0.34	
-6177	C1	SLES	1	1.40274	-33.4873	-3.15739	CTL2	6176	6178	6179	6180	-0.18	
-6178	H11	SLES	1	0.795872	-33.6118	-2.2423	HAL2	6177	0	0	0	0.09	
-6179	H12	SLES	1	2.47572	-33.5684	-2.88647	HAL2	6177	0	0	0	0.09	
-6180	C2	SLES	1	1.11691	-32.0699	-3.7942	CTL2	6177	6181	6182	6183	-0.18	
-6181	H21	SLES	1	0.752684	-32.2056	-4.83714	HAL2	6180	0	0	0	0.09	
-6182	H22	SLES	1	2.06729	-31.494	-3.83564	HAL2	6180	0	0	0	0.09	
-6183	C3	SLES	1	0.0283781	-31.2307	-2.96396	CTL2	6180	6184	6185	6186	-0.18	
-6184	H31	SLES	1	-0.941511	-31.2584	-3.50879	HAL2	6183	0	0	0	0.09	
-6185	H32	SLES	1	-0.122412	-31.7115	-1.97687	HAL2	6183	0	0	0	0.09	
-6186	C4	SLES	1	0.449595	-29.7191	-2.74085	CTL2	6183	6187	6188	6189	-0.18	
-6187	H41	SLES	1	-0.109787	-29.0805	-3.45606	HAL2	6186	0	0	0	0.09	
-6188	H42	SLES	1	1.53384	-29.6066	-2.95719	HAL2	6186	0	0	0	0.09	
-6189	C5	SLES	1	0.162588	-29.2142	-1.25508	CTL2	6186	6190	6191	6192	-0.18	
-6190	H51	SLES	1	-0.564026	-29.9037	-0.77129	HAL2	6189	0	0	0	0.09	
-6191	H52	SLES	1	1.11008	-29.2504	-0.670361	HAL2	6189	0	0	0	0.09	
-6192	C6	SLES	1	-0.414304	-27.7493	-1.20534	CTL2	6189	6193	6194	6195	-0.18	
-6193	H61	SLES	1	-1.46515	-27.7605	-1.5723	HAL2	6192	0	0	0	0.09	
-6194	H62	SLES	1	-0.424452	-27.3999	-0.146426	HAL2	6192	0	0	0	0.09	
-6195	C7	SLES	1	0.414481	-26.7428	-2.06462	CTL2	6192	6196	6197	6198	-0.18	
-6196	H71	SLES	1	0.107819	-26.8369	-3.12992	HAL2	6195	0	0	0	0.09	
-6197	H72	SLES	1	1.49344	-27.0056	-1.99322	HAL2	6195	0	0	0	0.09	
-6198	C8	SLES	1	0.221971	-25.2734	-1.61364	CTL2	6195	6199	6200	6201	-0.18	
-6199	H81	SLES	1	-0.864851	-25.077	-1.46649	HAL2	6198	0	0	0	0.09	
-6200	H82	SLES	1	0.734326	-25.1226	-0.636193	HAL2	6198	0	0	0	0.09	
-6201	C9	SLES	1	0.78471	-24.2602	-2.64183	CTL2	6198	6202	6203	6204	-0.18	
-6202	H91	SLES	1	0.293186	-24.4312	-3.62647	HAL2	6201	0	0	0	0.09	
-6203	H92	SLES	1	1.87639	-24.4391	-2.76732	HAL2	6201	0	0	0	0.09	
-6204	C10	SLES	1	0.55996	-22.7904	-2.21467	CTL2	6201	6205	6206	6207	-0.18	
-6205	H10	SLES	1	-0.533529	-22.6048	-2.11172	HAL2	6204	0	0	0	0.09	
-6206	H10	SLES	1	1.03218	-22.6245	-1.21992	HAL2	6204	0	0	0	0.09	
-6207	C11	SLES	1	1.15196	-21.7789	-3.23167	CTL2	6204	6208	6209	6210	-0.18	
-6208	H11	SLES	1	0.671601	-21.9442	-4.22315	HAL2	6207	0	0	0	0.09	
-6209	H11	SLES	1	2.24177	-21.9801	-3.3447	HAL2	6207	0	0	0	0.09	
-6210	C12	SLES	1	0.957363	-20.2956	-2.82332	CTL3	6207	6211	6212	6213	-0.27	
-6211	H12	SLES	1	0.376123	-19.7536	-3.60156	HAL3	6210	0	0	0	0.09	
-6212	H12	SLES	1	1.94351	-19.7949	-2.70445	HAL3	6210	0	0	0	0.09	
-6213	H12	SLES	1	0.407408	-20.2285	-1.85939	HAL3	6210	0	0	0	0.09	
-6214	NA	SLES	1	-10.7882	-42.372	-6.34924	NA	0	0	0	0	1	
-6215	S	SLES	1	-12.916	-40.6807	-3.90738	SL	6216	6217	6218	6219	1.33	
-6216	OS1	SLES	1	-11.5968	-39.9759	-4.66259	OSL	6215	6220	0	0	-0.28	
-6217	OS2	SLES	1	-13.8121	-41.1054	-4.96296	O2L	6215	0	0	0	-0.65	
-6218	OS3	SLES	1	-12.4053	-41.8366	-3.20052	O2L	6215	0	0	0	-0.65	
-6219	OS4	SLES	1	-13.6193	-39.8062	-2.98265	O2L	6215	0	0	0	-0.65	
-6220	C2	SLES	1	-11.5484	-38.5173	-4.36186	CC32A	6216	6221	6222	6223	-0.11	
-6221	H2A	SLES	1	-12.5166	-38.0202	-4.64937	HCA2	6220	0	0	0	0.09	
-6222	H2B	SLES	1	-11.3856	-38.3857	-3.25621	HCA2	6220	0	0	0	0.09	
-6223	C1	SLES	1	-10.3374	-37.8495	-5.17017	CC32A	6220	6224	6225	6226	-0.01	
-6224	H1B	SLES	1	-10.4502	-38.0545	-6.25968	HCA2	6223	0	0	0	0.09	
-6225	H1A	SLES	1	-9.36791	-38.2765	-4.82264	HCA2	6223	0	0	0	0.09	
-6226	O1	SLES	1	-10.1314	-36.3889	-5.12424	OC30A	6223	6227	0	0	-0.34	
-6227	C2	SLES	1	-10.7755	-35.6798	-4.04494	CC32A	6226	6228	6229	6230	-0.01	
-6228	H2A	SLES	1	-11.8441	-35.8984	-4.23768	HCA2	6227	0	0	0	0.09	
-6229	H2B	SLES	1	-10.4473	-36.2554	-3.15036	HCA2	6227	0	0	0	0.09	
-6230	C1	SLES	1	-10.5971	-34.1517	-3.77962	CC32A	6227	6231	6232	6233	-0.01	
-6231	H1B	SLES	1	-11.3816	-33.5823	-4.32402	HCA2	6230	0	0	0	0.09	
-6232	H1A	SLES	1	-10.7035	-33.9539	-2.69419	HCA2	6230	0	0	0	0.09	
-6233	O1	SLES	1	-9.40961	-33.3989	-4.18719	OC30A	6230	6234	0	0	-0.34	
-6234	C1	SLES	1	-9.07693	-32.2469	-3.32922	CTL2	6233	6235	6236	6237	-0.18	
-6235	H11	SLES	1	-9.93303	-32.0895	-2.6484	HAL2	6234	0	0	0	0.09	
-6236	H12	SLES	1	-8.22594	-32.6513	-2.74312	HAL2	6234	0	0	0	0.09	
-6237	C2	SLES	1	-8.66617	-30.8722	-3.99085	CTL2	6234	6238	6239	6240	-0.18	
-6238	H21	SLES	1	-8.72739	-30.9678	-5.09806	HAL2	6237	0	0	0	0.09	
-6239	H22	SLES	1	-7.61083	-30.6441	-3.72474	HAL2	6237	0	0	0	0.09	
-6240	C3	SLES	1	-9.60315	-29.6572	-3.51718	CTL2	6237	6241	6242	6243	-0.18	
-6241	H31	SLES	1	-10.3173	-29.4118	-4.33454	HAL2	6240	0	0	0	0.09	
-6242	H32	SLES	1	-10.193	-29.9783	-2.63556	HAL2	6240	0	0	0	0.09	
-6243	C4	SLES	1	-8.78439	-28.3532	-3.14112	CTL2	6240	6244	6245	6246	-0.18	
-6244	H41	SLES	1	-8.85686	-27.6289	-3.97913	HAL2	6243	0	0	0	0.09	
-6245	H42	SLES	1	-7.71341	-28.6197	-3.01064	HAL2	6243	0	0	0	0.09	
-6246	C5	SLES	1	-9.31245	-27.6603	-1.80477	CTL2	6243	6247	6248	6249	-0.18	
-6247	H51	SLES	1	-10.3375	-28.0316	-1.58383	HAL2	6246	0	0	0	0.09	
-6248	H52	SLES	1	-8.65171	-27.9553	-0.9578	HAL2	6246	0	0	0	0.09	
-6249	C6	SLES	1	-9.34976	-26.0885	-1.90187	CTL2	6246	6250	6251	6252	-0.18	
-6250	H61	SLES	1	-10.1835	-25.7862	-2.5746	HAL2	6249	0	0	0	0.09	
-6251	H62	SLES	1	-9.5559	-25.668	-0.889859	HAL2	6249	0	0	0	0.09	
-6252	C7	SLES	1	-8.01516	-25.4835	-2.44136	CTL2	6249	6253	6254	6255	-0.18	
-6253	H71	SLES	1	-8.00434	-25.5607	-3.55117	HAL2	6252	0	0	0	0.09	
-6254	H72	SLES	1	-7.1607	-26.0776	-2.04731	HAL2	6252	0	0	0	0.09	
-6255	C8	SLES	1	-7.82674	-23.9997	-2.03839	CTL2	6252	6256	6257	6258	-0.18	
-6256	H81	SLES	1	-8.77553	-23.4473	-2.22848	HAL2	6255	0	0	0	0.09	
-6257	H82	SLES	1	-7.60863	-23.9437	-0.947553	HAL2	6255	0	0	0	0.09	
-6258	C9	SLES	1	-6.67745	-23.3155	-2.82028	CTL2	6255	6259	6260	6261	-0.18	
-6259	H91	SLES	1	-6.88163	-23.3979	-3.912	HAL2	6258	0	0	0	0.09	
-6260	H92	SLES	1	-5.72485	-23.8511	-2.6077	HAL2	6258	0	0	0	0.09	
-6261	C10	SLES	1	-6.5106	-21.8227	-2.44988	CTL2	6258	6262	6263	6264	-0.18	
-6262	H10	SLES	1	-7.45584	-21.282	-2.6843	HAL2	6261	0	0	0	0.09	
-6263	H10	SLES	1	-6.3284	-21.738	-1.35459	HAL2	6261	0	0	0	0.09	
-6264	C11	SLES	1	-5.33903	-21.1487	-3.21215	CTL2	6261	6265	6266	6267	-0.18	
-6265	H11	SLES	1	-5.52932	-21.23	-4.30682	HAL2	6264	0	0	0	0.09	
-6266	H11	SLES	1	-4.39933	-21.7037	-2.9888	HAL2	6264	0	0	0	0.09	
-6267	C12	SLES	1	-5.13515	-19.6547	-2.85006	CTL3	6264	6268	6269	6270	-0.27	
-6268	H12	SLES	1	-5.24088	-19.0193	-3.75694	HAL3	6267	0	0	0	0.09	
-6269	H12	SLES	1	-4.12078	-19.4957	-2.42216	HAL3	6267	0	0	0	0.09	
-6270	H12	SLES	1	-5.89039	-19.3314	-2.10092	HAL3	6267	0	0	0	0.09	
-6271	NA	SLES	1	-23.0429	-37.1898	-6.16623	NA	0	0	0	0	1	
-6272	S	SLES	1	-24.986	-34.5182	-4.60496	SL	6273	6274	6275	6276	1.33	
-6273	OS1	SLES	1	-23.3566	-34.4088	-4.97974	OSL	6272	6277	0	0	-0.28	
-6274	OS2	SLES	1	-25.6717	-34.8115	-5.84642	O2L	6272	0	0	0	-0.65	
-6275	OS3	SLES	1	-25.1157	-35.6369	-3.69482	O2L	6272	0	0	0	-0.65	
-6276	OS4	SLES	1	-25.5469	-33.3207	-4.00014	O2L	6272	0	0	0	-0.65	
-6277	C2	SLES	1	-22.875	-33.0121	-4.78609	CC32A	6273	6278	6279	6280	-0.11	
-6278	H2A	SLES	1	-23.497	-32.2908	-5.38612	HCA2	6277	0	0	0	0.09	
-6279	H2B	SLES	1	-22.9654	-32.7512	-3.69522	HCA2	6277	0	0	0	0.09	
-6280	C1	SLES	1	-21.3424	-32.9121	-5.24108	CC32A	6277	6281	6282	6283	-0.01	
-6281	H1B	SLES	1	-21.2371	-33.2547	-6.29621	HCA2	6280	0	0	0	0.09	
-6282	H1A	SLES	1	-20.7099	-33.5582	-4.5887	HCA2	6280	0	0	0	0.09	
-6283	O1	SLES	1	-20.653	-31.6073	-5.24272	OC30A	6280	6284	0	0	-0.34	
-6284	C2	SLES	1	-21.2588	-30.5562	-4.46103	CC32A	6283	6285	6286	6287	-0.01	
-6285	H2A	SLES	1	-22.2481	-30.4544	-4.94853	HCA2	6284	0	0	0	0.09	
-6286	H2B	SLES	1	-21.3959	-31.0436	-3.46953	HCA2	6284	0	0	0	0.09	
-6287	C1	SLES	1	-20.6266	-29.142	-4.26717	CC32A	6284	6288	6289	6290	-0.01	
-6288	H1B	SLES	1	-20.9919	-28.4557	-5.06183	HCA2	6287	0	0	0	0.09	
-6289	H1A	SLES	1	-20.9306	-28.7373	-3.28107	HCA2	6287	0	0	0	0.09	
-6290	O1	SLES	1	-19.1878	-28.8865	-4.35426	OC30A	6287	6291	0	0	-0.34	
-6291	C1	SLES	1	-18.7015	-27.7701	-3.52289	CTL2	6290	6292	6293	6294	-0.18	
-6292	H11	SLES	1	-19.5907	-27.2349	-3.14332	HAL2	6291	0	0	0	0.09	
-6293	H12	SLES	1	-18.2287	-28.3165	-2.68074	HAL2	6291	0	0	0	0.09	
-6294	C2	SLES	1	-17.6769	-26.7318	-4.12994	CTL2	6291	6295	6296	6297	-0.18	
-6295	H21	SLES	1	-17.4821	-26.9918	-5.1945	HAL2	6294	0	0	0	0.09	
-6296	H22	SLES	1	-16.715	-26.808	-3.57732	HAL2	6294	0	0	0	0.09	
-6297	C3	SLES	1	-18.2124	-25.2201	-4.04917	CTL2	6294	6298	6299	6300	-0.18	
-6298	H31	SLES	1	-18.5589	-24.9051	-5.05864	HAL2	6297	0	0	0	0.09	
-6299	H32	SLES	1	-19.0824	-25.1811	-3.36374	HAL2	6297	0	0	0	0.09	
-6300	C4	SLES	1	-17.1115	-24.1989	-3.54171	CTL2	6297	6301	6302	6303	-0.18	
-6301	H41	SLES	1	-16.7063	-23.6443	-4.41366	HAL2	6300	0	0	0	0.09	
-6302	H42	SLES	1	-16.2754	-24.7647	-3.07717	HAL2	6300	0	0	0	0.09	
-6303	C5	SLES	1	-17.6844	-23.1557	-2.47954	CTL2	6300	6304	6305	6306	-0.18	
-6304	H51	SLES	1	-18.7945	-23.139	-2.54929	HAL2	6303	0	0	0	0.09	
-6305	H52	SLES	1	-17.4111	-23.4949	-1.45428	HAL2	6303	0	0	0	0.09	
-6306	C6	SLES	1	-17.1381	-21.6945	-2.69829	CTL2	6303	6307	6308	6309	-0.18	
-6307	H61	SLES	1	-17.6092	-21.2637	-3.61019	HAL2	6306	0	0	0	0.09	
-6308	H62	SLES	1	-17.4344	-21.0631	-1.82823	HAL2	6306	0	0	0	0.09	
-6309	C7	SLES	1	-15.5853	-21.6461	-2.85595	CTL2	6306	6310	6311	6312	-0.18	
-6310	H71	SLES	1	-15.3185	-21.9121	-3.90273	HAL2	6309	0	0	0	0.09	
-6311	H72	SLES	1	-15.1272	-22.4035	-2.18154	HAL2	6309	0	0	0	0.09	
-6312	C8	SLES	1	-14.995	-20.2526	-2.52493	CTL2	6309	6313	6314	6315	-0.18	
-6313	H81	SLES	1	-15.605	-19.4693	-3.03052	HAL2	6312	0	0	0	0.09	
-6314	H82	SLES	1	-15.0585	-20.0823	-1.42604	HAL2	6312	0	0	0	0.09	
-6315	C9	SLES	1	-13.519	-20.1133	-2.97448	CTL2	6312	6316	6317	6318	-0.18	
-6316	H91	SLES	1	-13.4521	-20.3129	-4.06811	HAL2	6315	0	0	0	0.09	
-6317	H92	SLES	1	-12.9054	-20.8784	-2.44758	HAL2	6315	0	0	0	0.09	
-6318	C10	SLES	1	-12.9366	-18.7103	-2.68158	CTL2	6315	6319	6320	6321	-0.18	
-6319	H10	SLES	1	-13.5362	-17.9465	-3.22742	HAL2	6318	0	0	0	0.09	
-6320	H10	SLES	1	-13.0234	-18.5009	-1.59132	HAL2	6318	0	0	0	0.09	
-6321	C11	SLES	1	-11.4491	-18.584	-3.10504	CTL2	6318	6322	6323	6324	-0.18	
-6322	H11	SLES	1	-11.3686	-18.7876	-4.19738	HAL2	6321	0	0	0	0.09	
-6323	H11	SLES	1	-10.8568	-19.3613	-2.57034	HAL2	6321	0	0	0	0.09	
-6324	C12	SLES	1	-10.8309	-17.1931	-2.80903	CTL3	6321	6325	6326	6327	-0.27	
-6325	H12	SLES	1	-10.4693	-16.7227	-3.74994	HAL3	6324	0	0	0	0.09	
-6326	H12	SLES	1	-9.97162	-17.2929	-2.10972	HAL3	6324	0	0	0	0.09	
-6327	H12	SLES	1	-11.5882	-16.5234	-2.34641	HAL3	6324	0	0	0	0.09	
-6328	NA	SLES	1	-33.3463	-28.3813	-5.88284	NA	0	0	0	0	1	
-6329	S	SLES	1	-34.4459	-24.9394	-5.3402	SL	6330	6331	6332	6333	1.33	
-6330	OS1	SLES	1	-32.8485	-25.4424	-5.28709	OSL	6329	6334	0	0	-0.28	
-6331	OS2	SLES	1	-34.9424	-25.2946	-6.65354	O2L	6329	0	0	0	-0.65	
-6332	OS3	SLES	1	-35.1428	-25.704	-4.32715	O2L	6329	0	0	0	-0.65	
-6333	OS4	SLES	1	-34.6379	-23.5172	-5.10603	O2L	6329	0	0	0	-0.65	
-6334	C2	SLES	1	-31.9391	-24.265	-5.20291	CC32A	6330	6335	6336	6337	-0.11	
-6335	H2A	SLES	1	-32.1311	-23.5534	-6.05374	HCA2	6334	0	0	0	0.09	
-6336	H2B	SLES	1	-32.1339	-23.7321	-4.23117	HCA2	6334	0	0	0	0.09	
-6337	C1	SLES	1	-30.4183	-24.7657	-5.24997	CC32A	6334	6338	6339	6340	-0.01	
-6338	H1B	SLES	1	-30.2463	-25.3696	-6.17055	HCA2	6337	0	0	0	0.09	
-6339	H1A	SLES	1	-30.1994	-25.3989	-4.35876	HCA2	6337	0	0	0	0.09	
-6340	O1	SLES	1	-29.3156	-23.7854	-5.28217	OC30A	6337	6341	0	0	-0.34	
-6341	C2	SLES	1	-29.6352	-22.4405	-4.86776	CC32A	6340	6342	6343	6344	-0.01	
-6342	H2A	SLES	1	-30.4084	-22.1545	-5.60751	HCA2	6341	0	0	0	0.09	
-6343	H2B	SLES	1	-30.1253	-22.6037	-3.88156	HCA2	6341	0	0	0	0.09	
-6344	C1	SLES	1	-28.5821	-21.2944	-4.74671	CC32A	6341	6345	6346	6347	-0.01	
-6345	H1B	SLES	1	-28.5156	-20.7428	-5.70971	HCA2	6344	0	0	0	0.09	
-6346	H1A	SLES	1	-28.8998	-20.5878	-3.95397	HCA2	6344	0	0	0	0.09	
-6347	O1	SLES	1	-27.1603	-21.5334	-4.49361	OC30A	6344	6348	0	0	-0.34	
-6348	C1	SLES	1	-26.4693	-20.4598	-3.7561	CTL2	6347	6349	6350	6351	-0.18	
-6349	H11	SLES	1	-27.1584	-19.5969	-3.71497	HAL2	6348	0	0	0	0.09	
-6350	H12	SLES	1	-26.396	-20.9052	-2.74243	HAL2	6348	0	0	0	0.09	
-6351	C2	SLES	1	-25.0426	-19.9767	-4.23311	CTL2	6348	6352	6353	6354	-0.18	
-6352	H21	SLES	1	-24.7572	-20.5352	-5.15258	HAL2	6351	0	0	0	0.09	
-6353	H22	SLES	1	-24.2975	-20.2148	-3.44275	HAL2	6351	0	0	0	0.09	
-6354	C3	SLES	1	-24.998	-18.4015	-4.54169	CTL2	6351	6355	6356	6357	-0.18	
-6355	H31	SLES	1	-25.0083	-18.2488	-5.64391	HAL2	6354	0	0	0	0.09	
-6356	H32	SLES	1	-25.9076	-17.9256	-4.12416	HAL2	6354	0	0	0	0.09	
-6357	C4	SLES	1	-23.7194	-17.6872	-3.9357	CTL2	6354	6358	6359	6360	-0.18	
-6358	H41	SLES	1	-22.983	-17.5176	-4.74876	HAL2	6357	0	0	0	0.09	
-6359	H42	SLES	1	-23.25	-18.3564	-3.1828	HAL2	6357	0	0	0	0.09	
-6360	C5	SLES	1	-24.0651	-16.2916	-3.2446	CTL2	6357	6361	6362	6363	-0.18	
-6361	H51	SLES	1	-25.0586	-15.9442	-3.60482	HAL2	6360	0	0	0	0.09	
-6362	H52	SLES	1	-24.1333	-16.4396	-2.14262	HAL2	6360	0	0	0	0.09	
-6363	C6	SLES	1	-22.995	-15.1757	-3.54619	CTL2	6360	6364	6365	6366	-0.18	
-6364	H61	SLES	1	-23.0955	-14.8538	-4.60704	HAL2	6363	0	0	0	0.09	
-6365	H62	SLES	1	-23.2013	-14.2917	-2.89855	HAL2	6363	0	0	0	0.09	
-6366	C7	SLES	1	-21.5309	-15.6577	-3.29675	CTL2	6363	6367	6368	6369	-0.18	
-6367	H71	SLES	1	-21.1853	-16.2401	-4.17944	HAL2	6366	0	0	0	0.09	
-6368	H72	SLES	1	-21.5157	-16.3329	-2.4123	HAL2	6366	0	0	0	0.09	
-6369	C8	SLES	1	-20.5496	-14.4842	-3.05285	CTL2	6366	6370	6371	6372	-0.18	
-6370	H81	SLES	1	-20.726	-13.6964	-3.82076	HAL2	6369	0	0	0	0.09	
-6371	H82	SLES	1	-20.7542	-14.0408	-2.05175	HAL2	6369	0	0	0	0.09	
-6372	C9	SLES	1	-19.067	-14.9296	-3.11594	CTL2	6369	6373	6374	6375	-0.18	
-6373	H91	SLES	1	-18.8709	-15.3996	-4.10639	HAL2	6372	0	0	0	0.09	
-6374	H92	SLES	1	-18.8849	-15.6966	-2.32979	HAL2	6372	0	0	0	0.09	
-6375	C10	SLES	1	-18.0823	-13.754	-2.91193	CTL2	6372	6376	6377	6378	-0.18	
-6376	H10	SLES	1	-18.2486	-12.9973	-3.71221	HAL2	6375	0	0	0	0.09	
-6377	H10	SLES	1	-18.2923	-13.2696	-1.93147	HAL2	6375	0	0	0	0.09	
-6378	C11	SLES	1	-16.599	-14.2088	-2.94507	CTL2	6375	6379	6380	6381	-0.18	
-6379	H11	SLES	1	-16.3921	-14.6863	-3.93008	HAL2	6378	0	0	0	0.09	
-6380	H11	SLES	1	-16.442	-14.9783	-2.15508	HAL2	6378	0	0	0	0.09	
-6381	C12	SLES	1	-15.5865	-13.0548	-2.72673	CTL3	6378	6382	6383	6384	-0.27	
-6382	H12	SLES	1	-14.9074	-12.9655	-3.6032	HAL3	6381	0	0	0	0.09	
-6383	H12	SLES	1	-14.9715	-13.2466	-1.81993	HAL3	6381	0	0	0	0.09	
-6384	H12	SLES	1	-16.1222	-12.0897	-2.59383	HAL3	6381	0	0	0	0.09	
-6385	NA	SLES	1	-40.5686	-16.5886	-5.57555	NA	0	0	0	0	1	
-6386	S	SLES	1	-40.3931	-12.9751	-6.08726	SL	6387	6388	6389	6390	1.33	
-6387	OS1	SLES	1	-39.1024	-13.926	-5.60011	OSL	6386	6391	0	0	-0.28	
-6388	OS2	SLES	1	-40.8448	-13.5167	-7.35222	O2L	6386	0	0	0	-0.65	
-6389	OS3	SLES	1	-41.4218	-13.1469	-5.0828	O2L	6386	0	0	0	-0.65	
-6390	OS4	SLES	1	-40.0788	-11.5633	-6.23695	O2L	6386	0	0	0	-0.65	
-6391	C2	SLES	1	-37.8416	-13.132	-5.61539	CC32A	6387	6392	6393	6394	-0.11	
-6392	H2A	SLES	1	-37.6721	-12.6755	-6.63029	HCA2	6391	0	0	0	0.09	
-6393	H2B	SLES	1	-37.9297	-12.3072	-4.85499	HCA2	6391	0	0	0	0.09	
-6394	C1	SLES	1	-36.6105	-14.0853	-5.23934	CC32A	6391	6395	6396	6397	-0.01	
-6395	H1B	SLES	1	-36.5746	-14.9519	-5.93894	HCA2	6394	0	0	0	0.09	
-6396	H1A	SLES	1	-36.7308	-14.468	-4.19907	HCA2	6394	0	0	0	0.09	
-6397	O1	SLES	1	-35.2302	-13.5648	-5.28047	OC30A	6394	6398	0	0	-0.34	
-6398	C2	SLES	1	-35.0808	-12.1295	-5.26595	CC32A	6397	6399	6400	6401	-0.01	
-6399	H2A	SLES	1	-35.6156	-11.8379	-6.19105	HCA2	6398	0	0	0	0.09	
-6400	H2B	SLES	1	-35.6967	-11.8333	-4.38711	HCA2	6398	0	0	0	0.09	
-6401	C1	SLES	1	-33.7021	-11.3992	-5.21016	CC32A	6398	6402	6403	6404	-0.01	
-6402	H1B	SLES	1	-33.3398	-11.2024	-6.24265	HCA2	6401	0	0	0	0.09	
-6403	H1A	SLES	1	-33.8223	-10.4303	-4.68534	HCA2	6401	0	0	0	0.09	
-6404	O1	SLES	1	-32.4989	-11.9977	-4.62977	OC30A	6401	6405	0	0	-0.34	
-6405	C1	SLES	1	-31.5461	-11.0378	-4.04265	CTL2	6404	6406	6407	6408	-0.18	
-6406	H11	SLES	1	-31.875	-10.0267	-4.34365	HAL2	6405	0	0	0	0.09	
-6407	H12	SLES	1	-31.7458	-11.169	-2.95904	HAL2	6405	0	0	0	0.09	
-6408	C2	SLES	1	-30.0001	-11.1985	-4.32556	CTL2	6405	6409	6410	6411	-0.18	
-6409	H21	SLES	1	-29.8428	-12.0603	-5.01216	HAL2	6408	0	0	0	0.09	
-6410	H22	SLES	1	-29.4791	-11.4232	-3.36918	HAL2	6408	0	0	0	0.09	
-6411	C3	SLES	1	-29.3544	-9.88216	-4.98035	CTL2	6408	6412	6413	6414	-0.18	
-6412	H31	SLES	1	-29.1935	-10.0608	-6.06685	HAL2	6411	0	0	0	0.09	
-6413	H32	SLES	1	-30.0673	-9.04	-4.87628	HAL2	6411	0	0	0	0.09	
-6414	C4	SLES	1	-27.9744	-9.4729	-4.3168	CTL2	6411	6415	6416	6417	-0.18	
-6415	H41	SLES	1	-27.1462	-9.79213	-4.98335	HAL2	6414	0	0	0	0.09	
-6416	H42	SLES	1	-27.8614	-10.0086	-3.34972	HAL2	6414	0	0	0	0.09	
-6417	C5	SLES	1	-27.8596	-7.90329	-4.05616	CTL2	6414	6418	6419	6420	-0.18	
-6418	H51	SLES	1	-28.6157	-7.37561	-4.67852	HAL2	6417	0	0	0	0.09	
-6419	H52	SLES	1	-28.0915	-7.69535	-2.9866	HAL2	6417	0	0	0	0.09	
-6420	C6	SLES	1	-26.4321	-7.32816	-4.39195	CTL2	6417	6421	6422	6423	-0.18	
-6421	H61	SLES	1	-26.2976	-7.31334	-5.49684	HAL2	6420	0	0	0	0.09	
-6422	H62	SLES	1	-26.3696	-6.27714	-4.02466	HAL2	6420	0	0	0	0.09	
-6423	C7	SLES	1	-25.2776	-8.16049	-3.74951	CTL2	6420	6424	6425	6426	-0.18	
-6424	H71	SLES	1	-25.0772	-9.05247	-4.38351	HAL2	6423	0	0	0	0.09	
-6425	H72	SLES	1	-25.601	-8.51764	-2.74643	HAL2	6423	0	0	0	0.09	
-6426	C8	SLES	1	-23.9683	-7.34675	-3.5976	CTL2	6423	6427	6428	6429	-0.18	
-6427	H81	SLES	1	-23.7653	-6.80252	-4.54841	HAL2	6426	0	0	0	0.09	
-6428	H82	SLES	1	-24.1011	-6.59108	-2.79017	HAL2	6426	0	0	0	0.09	
-6429	C9	SLES	1	-22.7509	-8.24258	-3.25741	CTL2	6426	6430	6431	6432	-0.18	
-6430	H91	SLES	1	-22.6367	-9.01646	-4.05014	HAL2	6429	0	0	0	0.09	
-6431	H92	SLES	1	-22.9428	-8.76463	-2.29297	HAL2	6429	0	0	0	0.09	
-6432	C10	SLES	1	-21.4334	-7.43969	-3.14323	CTL2	6429	6433	6434	6435	-0.18	
-6433	H10	SLES	1	-21.229	-6.93606	-4.11553	HAL2	6432	0	0	0	0.09	
-6434	H10	SLES	1	-21.5542	-6.65127	-2.36616	HAL2	6432	0	0	0	0.09	
-6435	C11	SLES	1	-20.2219	-8.33548	-2.77222	CTL2	6432	6436	6437	6438	-0.18	
-6436	H11	SLES	1	-20.1011	-9.11807	-3.55585	HAL2	6435	0	0	0	0.09	
-6437	H11	SLES	1	-20.4385	-8.85064	-1.80856	HAL2	6435	0	0	0	0.09	
-6438	C12	SLES	1	-18.8881	-7.55682	-2.63381	CTL3	6435	6439	6440	6441	-0.27	
-6439	H12	SLES	1	-18.1355	-7.94843	-3.35323	HAL3	6438	0	0	0	0.09	
-6440	H12	SLES	1	-18.4829	-7.6643	-1.60345	HAL3	6438	0	0	0	0.09	
-6441	H12	SLES	1	-19.0474	-6.47615	-2.84093	HAL3	6438	0	0	0	0.09	
-6442	NA	SLES	1	-43.7672	-2.85934	-5.32328	NA	0	0	0	0	1	
-6443	S	SLES	1	-42.3142	0.140986	-6.81904	SL	6444	6445	6446	6447	1.33	
-6444	OS1	SLES	1	-41.4501	-0.988997	-5.93373	OSL	6443	6448	0	0	-0.28	
-6445	OS2	SLES	1	-42.9183	-0.578871	-7.92105	O2L	6443	0	0	0	-0.65	
-6446	OS3	SLES	1	-43.3452	0.642663	-5.93473	O2L	6443	0	0	0	-0.65	
-6447	OS4	SLES	1	-41.5172	1.24614	-7.3269	O2L	6443	0	0	0	-0.65	
-6448	C2	SLES	1	-39.9893	-0.710316	-6.027	CC32A	6444	6449	6450	6451	-0.11	
-6449	H2A	SLES	1	-39.66	-0.673283	-7.1028	HCA2	6448	0	0	0	0.09	
-6450	H2B	SLES	1	-39.7848	0.287577	-5.54882	HCA2	6448	0	0	0	0.09	
-6451	C1	SLES	1	-39.1807	-1.85661	-5.25367	CC32A	6448	6452	6453	6454	-0.01	
-6452	H1B	SLES	1	-39.4494	-2.8555	-5.66818	HCA2	6451	0	0	0	0.09	
-6453	H1A	SLES	1	-39.438	-1.83672	-4.16898	HCA2	6451	0	0	0	0.09	
-6454	O1	SLES	1	-37.7052	-1.86953	-5.27964	OC30A	6451	6455	0	0	-0.34	
-6455	C2	SLES	1	-37.0555	-0.637508	-5.65725	CC32A	6454	6456	6457	6458	-0.01	
-6456	H2A	SLES	1	-37.4438	-0.483087	-6.68302	HCA2	6455	0	0	0	0.09	
-6457	H2B	SLES	1	-37.5332	0.103528	-4.97752	HCA2	6455	0	0	0	0.09	
-6458	C1	SLES	1	-35.5077	-0.433197	-5.65099	CC32A	6455	6459	6460	6461	-0.01	
-6459	H1B	SLES	1	-35.0904	-0.697577	-6.64698	HCA2	6458	0	0	0	0.09	
-6460	H1A	SLES	1	-35.28	0.63121	-5.44175	HCA2	6458	0	0	0	0.09	
-6461	O1	SLES	1	-34.6009	-1.19144	-4.78757	OC30A	6458	6462	0	0	-0.34	
-6462	C1	SLES	1	-33.3741	-0.476141	-4.39103	CTL2	6461	6463	6464	6465	-0.18	
-6463	H11	SLES	1	-33.3194	0.441767	-5.00392	HAL2	6462	0	0	0	0.09	
-6464	H12	SLES	1	-33.6164	-0.192284	-3.34607	HAL2	6462	0	0	0	0.09	
-6465	C2	SLES	1	-31.9838	-1.22554	-4.43359	CTL2	6462	6466	6467	6468	-0.18	
-6466	H21	SLES	1	-32.1374	-2.25687	-4.82292	HAL2	6465	0	0	0	0.09	
-6467	H22	SLES	1	-31.5848	-1.30611	-3.39875	HAL2	6465	0	0	0	0.09	
-6468	C3	SLES	1	-30.9068	-0.472103	-5.35606	CTL2	6465	6469	6470	6471	-0.18	
-6469	H31	SLES	1	-30.8108	-1.01963	-6.32005	HAL2	6468	0	0	0	0.09	
-6470	H32	SLES	1	-31.2746	0.549018	-5.58034	HAL2	6468	0	0	0	0.09	
-6471	C4	SLES	1	-29.4771	-0.366965	-4.67996	CTL2	6468	6472	6473	6474	-0.18	
-6472	H41	SLES	1	-28.8109	-1.13447	-5.12631	HAL2	6471	0	0	0	0.09	
-6473	H42	SLES	1	-29.5701	-0.584117	-3.59404	HAL2	6471	0	0	0	0.09	
-6474	C5	SLES	1	-28.814	1.07198	-4.86571	CTL2	6471	6475	6476	6477	-0.18	
-6475	H51	SLES	1	-29.3278	1.60405	-5.69658	HAL2	6474	0	0	0	0.09	
-6476	H52	SLES	1	-28.9658	1.66421	-3.93449	HAL2	6474	0	0	0	0.09	
-6477	C6	SLES	1	-27.2725	1.00118	-5.18208	CTL2	6474	6478	6479	6480	-0.18	
-6478	H61	SLES	1	-27.1322	0.629078	-6.22176	HAL2	6477	0	0	0	0.09	
-6479	H62	SLES	1	-26.8435	2.02888	-5.12475	HAL2	6477	0	0	0	0.09	
-6480	C7	SLES	1	-26.4948	0.0703129	-4.19873	CTL2	6477	6481	6482	6483	-0.18	
-6481	H71	SLES	1	-26.6193	-0.986201	-4.52437	HAL2	6480	0	0	0	0.09	
-6482	H72	SLES	1	-26.9325	0.169778	-3.18047	HAL2	6480	0	0	0	0.09	
-6483	C8	SLES	1	-24.9831	0.401758	-4.1329	CTL2	6480	6484	6485	6486	-0.18	
-6484	H81	SLES	1	-24.5919	0.525378	-5.1688	HAL2	6483	0	0	0	0.09	
-6485	H82	SLES	1	-24.8454	1.36762	-3.59552	HAL2	6483	0	0	0	0.09	
-6486	C9	SLES	1	-24.1666	-0.699833	-3.41166	CTL2	6483	6487	6488	6489	-0.18	
-6487	H91	SLES	1	-24.3283	-1.67111	-3.93205	HAL2	6486	0	0	0	0.09	
-6488	H92	SLES	1	-24.5397	-0.803224	-2.36781	HAL2	6486	0	0	0	0.09	
-6489	C10	SLES	1	-22.6508	-0.392393	-3.37768	CTL2	6486	6490	6491	6492	-0.18	
-6490	H10	SLES	1	-22.2725	-0.312017	-4.4223	HAL2	6489	0	0	0	0.09	
-6491	H10	SLES	1	-22.49	0.589239	-2.87711	HAL2	6489	0	0	0	0.09	
-6492	C11	SLES	1	-21.84	-1.48249	-2.62781	CTL2	6489	6493	6494	6495	-0.18	
-6493	H11	SLES	1	-21.9987	-2.46095	-3.13628	HAL2	6492	0	0	0	0.09	
-6494	H11	SLES	1	-22.2337	-1.5717	-1.58956	HAL2	6492	0	0	0	0.09	
-6495	C12	SLES	1	-20.3177	-1.19466	-2.56196	CTL3	6492	6496	6497	6498	-0.27	
-6496	H12	SLES	1	-19.7475	-2.01749	-3.04684	HAL3	6495	0	0	0	0.09	
-6497	H12	SLES	1	-19.986	-1.10922	-1.50367	HAL3	6495	0	0	0	0.09	
-6498	H12	SLES	1	-20.0807	-0.242908	-3.08552	HAL3	6495	0	0	0	0.09	
-6499	NA	SLES	1	-42.3669	11.4058	-5.19958	NA	0	0	0	0	1	
-6500	S	SLES	1	-40.1084	13.1122	-7.50989	SL	6501	6502	6503	6504	1.33	
-6501	OS1	SLES	1	-39.6112	12.0642	-6.30079	OSL	6500	6505	0	0	-0.28	
-6502	OS2	SLES	1	-41.018	12.3626	-8.35147	O2L	6500	0	0	0	-0.65	
-6503	OS3	SLES	1	-40.8215	14.1835	-6.8463	O2L	6500	0	0	0	-0.65	
-6504	OS4	SLES	1	-39.028	13.6607	-8.31382	O2L	6500	0	0	0	-0.65	
-6505	C2	SLES	1	-38.158	11.7663	-6.44127	CC32A	6501	6506	6507	6508	-0.11	
-6506	H2A	SLES	1	-37.9324	11.3652	-7.46861	HCA2	6505	0	0	0	0.09	
-6507	H2B	SLES	1	-37.5814	12.7203	-6.28782	HCA2	6505	0	0	0	0.09	
-6508	C1	SLES	1	-37.7283	10.6905	-5.335	CC32A	6505	6509	6510	6511	-0.01	
-6509	H1B	SLES	1	-38.3597	9.77709	-5.42906	HCA2	6508	0	0	0	0.09	
-6510	H1A	SLES	1	-37.8663	11.1191	-4.31501	HCA2	6508	0	0	0	0.09	
-6511	O1	SLES	1	-36.3558	10.1484	-5.32162	OC30A	6508	6512	0	0	-0.34	
-6512	C2	SLES	1	-35.3579	10.9001	-6.04397	CC32A	6511	6513	6514	6515	-0.01	
-6513	H2A	SLES	1	-35.7583	10.8723	-7.07632	HCA2	6512	0	0	0	0.09	
-6514	H2B	SLES	1	-35.4895	11.9274	-5.63569	HCA2	6512	0	0	0	0.09	
-6515	C1	SLES	1	-33.8402	10.5346	-6.06492	CC32A	6512	6516	6517	6518	-0.01	
-6516	H1B	SLES	1	-33.629	9.85846	-6.92179	HCA2	6515	0	0	0	0.09	
-6517	H1A	SLES	1	-33.2426	11.4601	-6.18722	HCA2	6515	0	0	0	0.09	
-6518	O1	SLES	1	-33.1772	9.79492	-4.98975	OC30A	6515	6519	0	0	-0.34	
-6519	C1	SLES	1	-31.7492	10.1117	-4.80359	CTL2	6518	6520	6521	6522	-0.18	
-6520	H11	SLES	1	-31.4364	10.7262	-5.66716	HAL2	6519	0	0	0	0.09	
-6521	H12	SLES	1	-31.7859	10.7576	-3.90206	HAL2	6519	0	0	0	0.09	
-6522	C2	SLES	1	-30.7112	8.94144	-4.58196	CTL2	6519	6523	6524	6525	-0.18	
-6523	H21	SLES	1	-31.244	7.9659	-4.63945	HAL2	6522	0	0	0	0.09	
-6524	H22	SLES	1	-30.2746	9.03364	-3.56338	HAL2	6522	0	0	0	0.09	
-6525	C3	SLES	1	-29.5267	8.95634	-5.66596	CTL2	6522	6526	6527	6528	-0.18	
-6526	H31	SLES	1	-29.7103	8.15222	-6.41292	HAL2	6525	0	0	0	0.09	
-6527	H32	SLES	1	-29.5389	9.92669	-6.20123	HAL2	6525	0	0	0	0.09	
-6528	C4	SLES	1	-28.0943	8.74224	-5.02188	CTL2	6525	6529	6530	6531	-0.18	
-6529	H41	SLES	1	-27.775	7.69344	-5.19563	HAL2	6528	0	0	0	0.09	
-6530	H42	SLES	1	-28.1601	8.90266	-3.92417	HAL2	6528	0	0	0	0.09	
-6531	C5	SLES	1	-26.9958	9.72935	-5.62487	CTL2	6528	6532	6533	6534	-0.18	
-6532	H51	SLES	1	-27.3664	10.1387	-6.59058	HAL2	6531	0	0	0	0.09	
-6533	H52	SLES	1	-26.8518	10.5832	-4.9241	HAL2	6531	0	0	0	0.09	
-6534	C6	SLES	1	-25.6071	9.02688	-5.86851	CTL2	6531	6535	6536	6537	-0.18	
-6535	H61	SLES	1	-25.6957	8.34043	-6.74029	HAL2	6534	0	0	0	0.09	
-6536	H62	SLES	1	-24.8474	9.80371	-6.11943	HAL2	6534	0	0	0	0.09	
-6537	C7	SLES	1	-25.1136	8.21513	-4.62923	CTL2	6534	6538	6539	6540	-0.18	
-6538	H71	SLES	1	-25.6221	7.2257	-4.61772	HAL2	6537	0	0	0	0.09	
-6539	H72	SLES	1	-25.3987	8.75875	-3.70104	HAL2	6537	0	0	0	0.09	
-6540	C8	SLES	1	-23.5806	7.99284	-4.63335	CTL2	6537	6541	6542	6543	-0.18	
-6541	H81	SLES	1	-23.2638	7.65848	-5.64787	HAL2	6540	0	0	0	0.09	
-6542	H82	SLES	1	-23.0721	8.95957	-4.41528	HAL2	6540	0	0	0	0.09	
-6543	C9	SLES	1	-23.1327	6.93857	-3.59017	CTL2	6540	6544	6545	6546	-0.18	
-6544	H91	SLES	1	-23.664	5.98057	-3.79098	HAL2	6543	0	0	0	0.09	
-6545	H92	SLES	1	-23.4249	7.28681	-2.57389	HAL2	6543	0	0	0	0.09	
-6546	C10	SLES	1	-21.6069	6.68414	-3.61714	CTL2	6543	6547	6548	6549	-0.18	
-6547	H10	SLES	1	-21.3179	6.31341	-4.62698	HAL2	6546	0	0	0	0.09	
-6548	H10	SLES	1	-21.0747	7.64581	-3.4384	HAL2	6546	0	0	0	0.09	
-6549	C11	SLES	1	-21.1579	5.65053	-2.55038	CTL2	6546	6550	6551	6552	-0.18	
-6550	H11	SLES	1	-21.6878	4.68859	-2.73757	HAL2	6549	0	0	0	0.09	
-6551	H11	SLES	1	-21.465	6.01702	-1.54425	HAL2	6549	0	0	0	0.09	
-6552	C12	SLES	1	-19.63	5.38581	-2.54085	CTL3	6549	6553	6554	6555	-0.27	
-6553	H12	SLES	1	-19.4228	4.31057	-2.7365	HAL3	6552	0	0	0	0.09	
-6554	H12	SLES	1	-19.1971	5.65605	-1.55248	HAL3	6552	0	0	0	0.09	
-6555	H12	SLES	1	-19.1272	5.99201	-3.3256	HAL3	6552	0	0	0	0.09	
-6556	NA	SLES	1	-36.3197	24.6016	-5.26527	NA	0	0	0	0	1	
-6557	S	SLES	1	-34.0645	24.7061	-8.13817	SL	6558	6559	6560	6561	1.33	
-6558	OS1	SLES	1	-33.7421	23.89	-6.71082	OSL	6557	6562	0	0	-0.28	
-6559	OS2	SLES	1	-35.3055	24.1615	-8.64867	O2L	6557	0	0	0	-0.65	
-6560	OS3	SLES	1	-34.2493	26.0955	-7.7748	O2L	6557	0	0	0	-0.65	
-6561	OS4	SLES	1	-33.0222	24.5928	-9.14581	O2L	6557	0	0	0	-0.65	
-6562	C2	SLES	1	-32.5212	23.0491	-6.86146	CC32A	6558	6563	6564	6565	-0.11	
-6563	H2A	SLES	1	-32.6274	22.3479	-7.73565	HCA2	6562	0	0	0	0.09	
-6564	H2B	SLES	1	-31.6411	23.7264	-7.04253	HCA2	6562	0	0	0	0.09	
-6565	C1	SLES	1	-32.2887	22.2072	-5.51874	CC32A	6562	6566	6567	6568	-0.01	
-6566	H1B	SLES	1	-33.1954	21.6014	-5.28931	HCA2	6565	0	0	0	0.09	
-6567	H1A	SLES	1	-32.0934	22.8986	-4.66618	HCA2	6565	0	0	0	0.09	
-6568	O1	SLES	1	-31.1971	21.2168	-5.44416	OC30A	6565	6569	0	0	-0.34	
-6569	C2	SLES	1	-30.1489	21.3362	-6.42885	CC32A	6568	6570	6571	6572	-0.01	
-6570	H2A	SLES	1	-30.7106	21.1996	-7.37367	HCA2	6569	0	0	0	0.09	
-6571	H2B	SLES	1	-29.8551	22.4061	-6.33768	HCA2	6569	0	0	0	0.09	
-6572	C1	SLES	1	-28.8699	20.4412	-6.4503	CC32A	6569	6573	6574	6575	-0.01	
-6573	H1B	SLES	1	-29.0515	19.5424	-7.07903	HCA2	6572	0	0	0	0.09	
-6574	H1A	SLES	1	-28.0285	21.0158	-6.88676	HCA2	6572	0	0	0	0.09	
-6575	O1	SLES	1	-28.3144	19.8052	-5.25459	OC30A	6572	6576	0	0	-0.34	
-6576	C1	SLES	1	-26.8537	19.6055	-5.27625	CTL2	6575	6577	6578	6579	-0.18	
-6577	H11	SLES	1	-26.5105	19.8209	-6.30437	HAL2	6576	0	0	0	0.09	
-6578	H12	SLES	1	-26.5128	20.4238	-4.60871	HAL2	6576	0	0	0	0.09	
-6579	C2	SLES	1	-26.2453	18.2304	-4.79142	CTL2	6576	6580	6581	6582	-0.18	
-6580	H21	SLES	1	-27.0751	17.5417	-4.51581	HAL2	6579	0	0	0	0.09	
-6581	H22	SLES	1	-25.631	18.4077	-3.8816	HAL2	6579	0	0	0	0.09	
-6582	C3	SLES	1	-25.3346	17.5308	-5.91374	CTL2	6579	6583	6584	6585	-0.18	
-6583	H31	SLES	1	-25.9052	16.6919	-6.37085	HAL2	6582	0	0	0	0.09	
-6584	H32	SLES	1	-25.1154	18.2676	-6.71207	HAL2	6582	0	0	0	0.09	
-6585	C4	SLES	1	-23.9669	16.9705	-5.34137	CTL2	6582	6586	6587	6588	-0.18	
-6586	H41	SLES	1	-24.0528	15.8708	-5.21664	HAL2	6585	0	0	0	0.09	
-6587	H42	SLES	1	-23.7808	17.4151	-4.33999	HAL2	6585	0	0	0	0.09	
-6588	C5	SLES	1	-22.7257	17.293	-6.29017	CTL2	6585	6589	6590	6591	-0.18	
-6589	H51	SLES	1	-23.1018	17.5528	-7.30433	HAL2	6588	0	0	0	0.09	
-6590	H52	SLES	1	-22.1832	18.1795	-5.88898	HAL2	6588	0	0	0	0.09	
-6591	C6	SLES	1	-21.718	16.0885	-6.41341	CTL2	6588	6592	6593	6594	-0.18	
-6592	H61	SLES	1	-22.1833	15.2881	-7.03139	HAL2	6591	0	0	0	0.09	
-6593	H62	SLES	1	-20.799	16.4377	-6.93966	HAL2	6591	0	0	0	0.09	
-6594	C7	SLES	1	-21.3147	15.4925	-5.02766	CTL2	6591	6595	6596	6597	-0.18	
-6595	H71	SLES	1	-22.1146	14.7998	-4.68401	HAL2	6594	0	0	0	0.09	
-6596	H72	SLES	1	-21.2333	16.3182	-4.28608	HAL2	6594	0	0	0	0.09	
-6597	C8	SLES	1	-19.9706	14.724	-5.07698	CTL2	6594	6598	6599	6600	-0.18	
-6598	H81	SLES	1	-19.9678	14.0518	-5.96554	HAL2	6597	0	0	0	0.09	
-6599	H82	SLES	1	-19.138	15.4543	-5.19538	HAL2	6597	0	0	0	0.09	
-6600	C9	SLES	1	-19.7252	13.8786	-3.80204	CTL2	6597	6601	6602	6603	-0.18	
-6601	H91	SLES	1	-20.5729	13.1689	-3.66815	HAL2	6600	0	0	0	0.09	
-6602	H92	SLES	1	-19.7002	14.5546	-2.91774	HAL2	6600	0	0	0	0.09	
-6603	C10	SLES	1	-18.4026	13.0784	-3.86297	CTL2	6600	6604	6605	6606	-0.18	
-6604	H10	SLES	1	-18.4368	12.3851	-4.73419	HAL2	6603	0	0	0	0.09	
-6605	H10	SLES	1	-17.5566	13.7854	-4.01902	HAL2	6603	0	0	0	0.09	
-6606	C11	SLES	1	-18.145	12.257	-2.57184	CTL2	6603	6607	6608	6609	-0.18	
-6607	H11	SLES	1	-18.9904	11.5467	-2.42393	HAL2	6606	0	0	0	0.09	
-6608	H11	SLES	1	-18.1296	12.9522	-1.70157	HAL2	6606	0	0	0	0.09	
-6609	C12	SLES	1	-16.8175	11.4559	-2.59513	CTL3	6606	6610	6611	6612	-0.27	
-6610	H12	SLES	1	-17.02	10.3688	-2.47516	HAL3	6609	0	0	0	0.09	
-6611	H12	SLES	1	-16.1523	11.7861	-1.76697	HAL3	6609	0	0	0	0.09	
-6612	H12	SLES	1	-16.2873	11.6133	-3.55962	HAL3	6609	0	0	0	0.09	
-6613	NA	SLES	1	-26.1877	35.1475	-5.56236	NA	0	0	0	0	1	
-6614	S	SLES	1	-24.8064	33.855	-8.68841	SL	6615	6616	6617	6618	1.33	
-6615	OS1	SLES	1	-24.433	33.2555	-7.16904	OSL	6614	6619	0	0	-0.28	
-6616	OS2	SLES	1	-26.243	33.7397	-8.83111	O2L	6614	0	0	0	-0.65	
-6617	OS3	SLES	1	-24.4235	35.2514	-8.67573	O2L	6614	0	0	0	-0.65	
-6618	OS4	SLES	1	-24.1431	33.1701	-9.78627	O2L	6614	0	0	0	-0.65	
-6619	C2	SLES	1	-23.6379	32.0011	-7.2902	CC32A	6615	6620	6621	6622	-0.11	
-6620	H2A	SLES	1	-24.1828	31.2451	-7.92171	HCA2	6619	0	0	0	0.09	
-6621	H2B	SLES	1	-22.656	32.2467	-7.78188	HCA2	6619	0	0	0	0.09	
-6622	C1	SLES	1	-23.3757	31.3969	-5.8301	CC32A	6619	6623	6624	6625	-0.01	
-6623	H1B	SLES	1	-24.3461	31.2352	-5.3068	HCA2	6622	0	0	0	0.09	
-6624	H1A	SLES	1	-22.7583	32.1062	-5.23105	HCA2	6622	0	0	0	0.09	
-6625	O1	SLES	1	-22.6926	30.0977	-5.67697	OC30A	6622	6626	0	0	-0.34	
-6626	C2	SLES	1	-21.9408	29.6256	-6.81478	CC32A	6625	6627	6628	6629	-0.01	
-6627	H2A	SLES	1	-22.7301	29.5417	-7.58733	HCA2	6626	0	0	0	0.09	
-6628	H2B	SLES	1	-21.2953	30.5002	-7.0551	HCA2	6626	0	0	0	0.09	
-6629	C1	SLES	1	-21.079	28.3239	-6.80828	CC32A	6626	6630	6631	6632	-0.01	
-6630	H1B	SLES	1	-21.6977	27.4627	-7.14239	HCA2	6629	0	0	0	0.09	
-6631	H1A	SLES	1	-20.2294	28.4441	-7.50988	HCA2	6629	0	0	0	0.09	
-6632	O1	SLES	1	-20.4904	27.7563	-5.59415	OC30A	6629	6633	0	0	-0.34	
-6633	C1	SLES	1	-19.2321	27.0154	-5.79891	CTL2	6632	6634	6635	6636	-0.18	
-6634	H11	SLES	1	-19.101	26.8907	-6.88906	HAL2	6633	0	0	0	0.09	
-6635	H12	SLES	1	-18.4856	27.7501	-5.43259	HAL2	6633	0	0	0	0.09	
-6636	C2	SLES	1	-19.016	25.627	-5.07666	CTL2	6633	6637	6638	6639	-0.18	
-6637	H21	SLES	1	-19.9326	25.3694	-4.5002	HAL2	6636	0	0	0	0.09	
-6638	H22	SLES	1	-18.1739	25.7213	-4.35656	HAL2	6636	0	0	0	0.09	
-6639	C3	SLES	1	-18.6954	24.4398	-6.10924	CTL2	6636	6640	6641	6642	-0.18	
-6640	H31	SLES	1	-19.6062	23.8125	-6.23273	HAL2	6639	0	0	0	0.09	
-6641	H32	SLES	1	-18.4474	24.8771	-7.0969	HAL2	6639	0	0	0	0.09	
-6642	C4	SLES	1	-17.4955	23.5168	-5.63943	CTL2	6639	6643	6644	6645	-0.18	
-6643	H41	SLES	1	-17.9086	22.576	-5.21952	HAL2	6642	0	0	0	0.09	
-6644	H42	SLES	1	-16.932	24.0333	-4.83276	HAL2	6642	0	0	0	0.09	
-6645	C5	SLES	1	-16.4917	23.1621	-6.8274	CTL2	6642	6646	6647	6648	-0.18	
-6646	H51	SLES	1	-16.9973	23.3539	-7.79951	HAL2	6645	0	0	0	0.09	
-6647	H52	SLES	1	-15.6045	23.8328	-6.76497	HAL2	6645	0	0	0	0.09	
-6648	C6	SLES	1	-16.0049	21.6644	-6.79299	CTL2	6645	6649	6650	6651	-0.18	
-6649	H61	SLES	1	-16.8466	21.0022	-7.09666	HAL2	6648	0	0	0	0.09	
-6650	H62	SLES	1	-15.1816	21.5341	-7.53368	HAL2	6648	0	0	0	0.09	
-6651	C7	SLES	1	-15.4948	21.2258	-5.38381	CTL2	6648	6652	6653	6654	-0.18	
-6652	H71	SLES	1	-16.3688	20.9658	-4.74639	HAL2	6651	0	0	0	0.09	
-6653	H72	SLES	1	-14.9638	22.0797	-4.90701	HAL2	6651	0	0	0	0.09	
-6654	C8	SLES	1	-14.5386	20.0088	-5.44741	CTL2	6651	6655	6656	6657	-0.18	
-6655	H81	SLES	1	-14.9781	19.235	-6.11779	HAL2	6654	0	0	0	0.09	
-6656	H82	SLES	1	-13.5669	20.332	-5.88559	HAL2	6654	0	0	0	0.09	
-6657	C9	SLES	1	-14.2824	19.3841	-4.053	CTL2	6654	6658	6659	6660	-0.18	
-6658	H91	SLES	1	-15.2572	19.0882	-3.60301	HAL2	6657	0	0	0	0.09	
-6659	H92	SLES	1	-13.8174	20.1499	-3.39213	HAL2	6657	0	0	0	0.09	
-6660	C10	SLES	1	-13.3591	18.1443	-4.11586	CTL2	6657	6661	6662	6663	-0.18	
-6661	H10	SLES	1	-13.8351	17.3686	-4.75826	HAL2	6660	0	0	0	0.09	
-6662	H10	SLES	1	-12.3922	18.4343	-4.58597	HAL2	6660	0	0	0	0.09	
-6663	C11	SLES	1	-13.0799	17.5396	-2.71429	CTL2	6660	6664	6665	6666	-0.18	
-6664	H11	SLES	1	-14.0493	17.2448	-2.25117	HAL2	6663	0	0	0	0.09	
-6665	H11	SLES	1	-12.6207	18.324	-2.07027	HAL2	6663	0	0	0	0.09	
-6666	C12	SLES	1	-12.1432	16.3042	-2.74191	CTL3	6663	6667	6668	6669	-0.27	
-6667	H12	SLES	1	-12.6594	15.4181	-2.31095	HAL3	6666	0	0	0	0.09	
-6668	H12	SLES	1	-11.224	16.5027	-2.14771	HAL3	6666	0	0	0	0.09	
-6669	H12	SLES	1	-11.8455	16.0674	-3.78662	HAL3	6666	0	0	0	0.09	
-6670	NA	SLES	1	-13.1101	41.7478	-6.10973	NA	0	0	0	0	1	
-6671	S	SLES	1	-13.2237	39.7287	-9.15288	SL	6672	6673	6674	6675	1.33	
-6672	OS1	SLES	1	-12.6508	39.1833	-7.6758	OSL	6671	6676	0	0	-0.28	
-6673	OS2	SLES	1	-14.5893	40.1558	-8.92875	O2L	6671	0	0	0	-0.65	
-6674	OS3	SLES	1	-12.4035	40.8681	-9.50722	O2L	6671	0	0	0	-0.65	
-6675	OS4	SLES	1	-13.1826	38.7393	-10.2177	O2L	6671	0	0	0	-0.65	
-6676	C2	SLES	1	-12.4009	37.7154	-7.72923	CC32A	6672	6677	6678	6679	-0.11	
-6677	H2A	SLES	1	-13.3287	37.1661	-8.05266	HCA2	6676	0	0	0	0.09	
-6678	H2B	SLES	1	-11.5824	37.5194	-8.47621	HCA2	6676	0	0	0	0.09	
-6679	C1	SLES	1	-11.9463	37.2022	-6.28154	CC32A	6676	6680	6681	6682	-0.01	
-6680	H1B	SLES	1	-12.7168	37.4741	-5.52378	HCA2	6679	0	0	0	0.09	
-6681	H1A	SLES	1	-10.9788	37.6777	-5.99678	HCA2	6679	0	0	0	0.09	
-6682	O1	SLES	1	-11.7318	35.7624	-6.03878	OC30A	6679	6683	0	0	-0.34	
-6683	C2	SLES	1	-11.5509	34.9312	-7.20455	CC32A	6682	6684	6685	6686	-0.01	
-6684	H2A	SLES	1	-12.5103	35.0792	-7.73794	HCA2	6683	0	0	0	0.09	
-6685	H2B	SLES	1	-10.7466	35.4662	-7.75795	HCA2	6683	0	0	0	0.09	
-6686	C1	SLES	1	-11.2202	33.4067	-7.14277	CC32A	6683	6687	6688	6689	-0.01	
-6687	H1B	SLES	1	-12.1632	32.8179	-7.145	HCA2	6686	0	0	0	0.09	
-6688	H1A	SLES	1	-10.6237	33.1253	-8.03365	HCA2	6686	0	0	0	0.09	
-6689	O1	SLES	1	-10.5328	32.779	-6.013	OC30A	6686	6690	0	0	-0.34	
-6690	C1	SLES	1	-9.71858	31.5987	-6.35639	CTL2	6689	6691	6692	6693	-0.18	
-6691	H11	SLES	1	-9.96112	31.3278	-7.39993	HAL2	6690	0	0	0	0.09	
-6692	H12	SLES	1	-8.69479	32.0258	-6.32845	HAL2	6690	0	0	0	0.09	
-6693	C2	SLES	1	-9.78635	30.3101	-5.44475	CTL2	6690	6694	6695	6696	-0.18	
-6694	H21	SLES	1	-10.5258	30.4784	-4.63004	HAL2	6693	0	0	0	0.09	
-6695	H22	SLES	1	-8.79145	30.1465	-4.97574	HAL2	6693	0	0	0	0.09	
-6696	C3	SLES	1	-10.2033	28.9957	-6.26755	CTL2	6693	6697	6698	6699	-0.18	
-6697	H31	SLES	1	-11.2668	28.7537	-6.04712	HAL2	6696	0	0	0	0.09	
-6698	H32	SLES	1	-10.1206	29.2071	-7.3523	HAL2	6696	0	0	0	0.09	
-6699	C4	SLES	1	-9.30664	27.736	-5.9192	CTL2	6696	6700	6701	6702	-0.18	
-6700	H41	SLES	1	-9.87321	27.0691	-5.23632	HAL2	6699	0	0	0	0.09	
-6701	H42	SLES	1	-8.3924	28.075	-5.38603	HAL2	6699	0	0	0	0.09	
-6702	C5	SLES	1	-8.87513	26.9118	-7.21508	CTL2	6699	6703	6704	6705	-0.18	
-6703	H51	SLES	1	-9.5453	27.186	-8.05957	HAL2	6702	0	0	0	0.09	
-6704	H52	SLES	1	-7.83572	27.1969	-7.4967	HAL2	6702	0	0	0	0.09	
-6705	C6	SLES	1	-8.93818	25.3526	-6.99992	CTL2	6702	6706	6707	6708	-0.18	
-6706	H61	SLES	1	-10.0042	25.0346	-6.96028	HAL2	6705	0	0	0	0.09	
-6707	H62	SLES	1	-8.46166	24.8472	-7.87224	HAL2	6705	0	0	0	0.09	
-6708	C7	SLES	1	-8.2205	24.8925	-5.69167	CTL2	6705	6709	6710	6711	-0.18	
-6709	H71	SLES	1	-8.90487	25.0483	-4.82846	HAL2	6708	0	0	0	0.09	
-6710	H72	SLES	1	-7.31688	25.522	-5.53161	HAL2	6708	0	0	0	0.09	
-6711	C8	SLES	1	-7.79692	23.4032	-5.73554	CTL2	6708	6712	6713	6714	-0.18	
-6712	H81	SLES	1	-8.64792	22.7936	-6.11714	HAL2	6711	0	0	0	0.09	
-6713	H82	SLES	1	-6.94571	23.2877	-6.44457	HAL2	6711	0	0	0	0.09	
-6714	C9	SLES	1	-7.37384	22.8671	-4.34489	CTL2	6711	6715	6716	6717	-0.18	
-6715	H91	SLES	1	-8.21515	23.01	-3.62928	HAL2	6714	0	0	0	0.09	
-6716	H92	SLES	1	-6.50557	23.4587	-3.97672	HAL2	6714	0	0	0	0.09	
-6717	C10	SLES	1	-6.98728	21.3694	-4.3758	CTL2	6714	6718	6719	6720	-0.18	
-6718	H10	SLES	1	-7.86332	20.7748	-4.72187	HAL2	6717	0	0	0	0.09	
-6719	H10	SLES	1	-6.16089	21.2221	-5.10753	HAL2	6717	0	0	0	0.09	
-6720	C11	SLES	1	-6.53472	20.8437	-2.9877	CTL2	6717	6721	6722	6723	-0.18	
-6721	H11	SLES	1	-7.36699	20.9869	-2.2611	HAL2	6720	0	0	0	0.09	
-6722	H11	SLES	1	-5.67015	21.4529	-2.63791	HAL2	6720	0	0	0	0.09	
-6723	C12	SLES	1	-6.12437	19.3483	-2.98911	CTL3	6720	6724	6725	6726	-0.27	
-6724	H12	SLES	1	-6.76136	18.7721	-2.28235	HAL3	6723	0	0	0	0.09	
-6725	H12	SLES	1	-5.06185	19.2388	-2.67861	HAL3	6723	0	0	0	0.09	
-6726	H12	SLES	1	-6.24266	18.9154	-4.00632	HAL3	6723	0	0	0	0.09	
-6727	NA	SLES	1	1.35297	43.6191	-6.90113	NA	0	0	0	0	1	
-6728	S	SLES	1	-0.397135	41.785	-9.53242	SL	6729	6730	6731	6732	1.33	
-6729	OS1	SLES	1	0.368607	41.0668	-8.22657	OSL	6728	6733	0	0	-0.28	
-6730	OS2	SLES	1	-1.38305	42.6908	-8.98007	O2L	6728	0	0	0	-0.65	
-6731	OS3	SLES	1	0.622694	42.536	-10.2342	O2L	6728	0	0	0	-0.65	
-6732	OS4	SLES	1	-1.03843	40.8506	-10.4435	O2L	6728	0	0	0	-0.65	
-6733	C2	SLES	1	0.0523408	39.6115	-8.17924	CC32A	6729	6734	6735	6736	-0.11	
-6734	H2A	SLES	1	-1.06117	39.4475	-8.15995	HCA2	6733	0	0	0	0.09	
-6735	H2B	SLES	1	0.476535	39.1236	-9.10029	HCA2	6733	0	0	0	0.09	
-6736	C1	SLES	1	0.715997	38.9672	-6.87144	CC32A	6733	6737	6738	6739	-0.01	
-6737	H1B	SLES	1	0.364378	39.5076	-5.96251	HCA2	6736	0	0	0	0.09	
-6738	H1A	SLES	1	1.82648	39.048	-6.9303	HCA2	6736	0	0	0	0.09	
-6739	O1	SLES	1	0.469266	37.5516	-6.53537	OC30A	6736	6740	0	0	-0.34	
-6740	C2	SLES	1	-0.0234603	36.7117	-7.6005	CC32A	6739	6741	6742	6743	-0.01	
-6741	H2A	SLES	1	-0.981971	37.2063	-7.85246	HCA2	6740	0	0	0	0.09	
-6742	H2B	SLES	1	0.706878	36.9076	-8.41757	HCA2	6740	0	0	0	0.09	
-6743	C1	SLES	1	-0.253047	35.1739	-7.45997	CC32A	6740	6744	6745	6746	-0.01	
-6744	H1B	SLES	1	-1.29548	34.9792	-7.12609	HCA2	6743	0	0	0	0.09	
-6745	H1A	SLES	1	-0.0993706	34.6895	-8.44502	HCA2	6743	0	0	0	0.09	
-6746	O1	SLES	1	0.477998	34.3363	-6.50773	OC30A	6743	6747	0	0	-0.34	
-6747	C1	SLES	1	0.673216	32.9372	-6.92998	CTL2	6746	6748	6749	6750	-0.18	
-6748	H11	SLES	1	0.0427688	32.7752	-7.823	HAL2	6747	0	0	0	0.09	
-6749	H12	SLES	1	1.73748	32.9516	-7.2437	HAL2	6747	0	0	0	0.09	
-6750	C2	SLES	1	0.436021	31.7677	-5.89446	CTL2	6747	6751	6752	6753	-0.18	
-6751	H21	SLES	1	0.0926114	32.2004	-4.92823	HAL2	6750	0	0	0	0.09	
-6752	H22	SLES	1	1.4006	31.2453	-5.71207	HAL2	6750	0	0	0	0.09	
-6753	C3	SLES	1	-0.650838	30.7028	-6.4075	CTL2	6750	6754	6755	6756	-0.18	
-6754	H31	SLES	1	-1.60839	30.8751	-5.86742	HAL2	6753	0	0	0	0.09	
-6755	H32	SLES	1	-0.835629	30.867	-7.48782	HAL2	6753	0	0	0	0.09	
-6756	C4	SLES	1	-0.198799	29.1999	-6.18564	CTL2	6753	6757	6758	6759	-0.18	
-6757	H41	SLES	1	-0.726238	28.7931	-5.29771	HAL2	6756	0	0	0	0.09	
-6758	H42	SLES	1	0.892489	29.1741	-5.97719	HAL2	6756	0	0	0	0.09	
-6759	C5	SLES	1	-0.507568	28.273	-7.44667	CTL2	6756	6760	6761	6762	-0.18	
-6760	H51	SLES	1	-1.26135	28.7764	-8.09151	HAL2	6759	0	0	0	0.09	
-6761	H52	SLES	1	0.425158	28.1495	-8.0431	HAL2	6759	0	0	0	0.09	
-6762	C6	SLES	1	-1.05024	26.85	-7.0442	CTL2	6759	6763	6764	6765	-0.18	
-6763	H61	SLES	1	-2.09239	26.9525	-6.66672	HAL2	6762	0	0	0	0.09	
-6764	H62	SLES	1	-1.07626	26.2024	-7.95165	HAL2	6762	0	0	0	0.09	
-6765	C7	SLES	1	-0.178175	26.1567	-5.95003	CTL2	6762	6766	6767	6768	-0.18	
-6766	H71	SLES	1	-0.462547	26.5574	-4.95184	HAL2	6765	0	0	0	0.09	
-6767	H72	SLES	1	0.892269	26.4039	-6.12718	HAL2	6765	0	0	0	0.09	
-6768	C8	SLES	1	-0.345752	24.6168	-5.94049	CTL2	6765	6769	6770	6771	-0.18	
-6769	H81	SLES	1	-1.43065	24.3682	-5.99146	HAL2	6768	0	0	0	0.09	
-6770	H82	SLES	1	0.147563	24.1915	-6.84403	HAL2	6768	0	0	0	0.09	
-6771	C9	SLES	1	0.264438	23.963	-4.67538	CTL2	6768	6772	6773	6774	-0.18	
-6772	H91	SLES	1	-0.208377	24.4101	-3.77158	HAL2	6771	0	0	0	0.09	
-6773	H92	SLES	1	1.35411	24.1885	-4.64005	HAL2	6771	0	0	0	0.09	
-6774	C10	SLES	1	0.0651953	22.4292	-4.64203	CTL2	6771	6775	6776	6777	-0.18	
-6775	H10	SLES	1	-1.02561	22.2038	-4.65378	HAL2	6774	0	0	0	0.09	
-6776	H10	SLES	1	0.518364	21.9836	-5.55645	HAL2	6774	0	0	0	0.09	
-6777	C11	SLES	1	0.704339	21.774	-3.38893	CTL2	6774	6778	6779	6780	-0.18	
-6778	H11	SLES	1	0.24297	22.218	-2.47726	HAL2	6777	0	0	0	0.09	
-6779	H11	SLES	1	1.79132	22.0172	-3.37206	HAL2	6777	0	0	0	0.09	
-6780	C12	SLES	1	0.535979	20.2335	-3.33454	CTL3	6777	6781	6782	6783	-0.27	
-6781	H12	SLES	1	-0.0141702	19.9371	-2.41431	HAL3	6780	0	0	0	0.09	
-6782	H12	SLES	1	1.53084	19.7359	-3.32847	HAL3	6780	0	0	0	0.09	
-6783	H12	SLES	1	-0.0341222	19.8749	-4.21914	HAL3	6780	0	0	0	0.09	
-6784	NA	SLES	1	15.47	40.6234	-7.90571	NA	0	0	0	0	1	
-6785	S	SLES	1	12.4774	39.8067	-9.83635	SL	6786	6787	6788	6789	1.33	
-6786	OS1	SLES	1	13.2639	38.739	-8.81233	OSL	6785	6790	0	0	-0.28	
-6787	OS2	SLES	1	12.1081	40.9505	-9.02828	O2L	6785	0	0	0	-0.65	
-6788	OS3	SLES	1	13.4516	40.2015	-10.8321	O2L	6785	0	0	0	-0.65	
-6789	OS4	SLES	1	11.2983	39.2591	-10.4877	O2L	6785	0	0	0	-0.65	
-6790	C2	SLES	1	12.4557	37.4991	-8.63976	CC32A	6786	6791	6792	6793	-0.11	
-6791	H2A	SLES	1	11.4194	37.7478	-8.27743	HCA2	6790	0	0	0	0.09	
-6792	H2B	SLES	1	12.3789	36.9813	-9.63587	HCA2	6790	0	0	0	0.09	
-6793	C1	SLES	1	13.1805	36.5367	-7.58423	CC32A	6790	6794	6795	6796	-0.01	
-6794	H1B	SLES	1	13.3374	37.0781	-6.62296	HCA2	6793	0	0	0	0.09	
-6795	H1A	SLES	1	14.1716	36.2156	-7.98154	HCA2	6793	0	0	0	0.09	
-6796	O1	SLES	1	12.5325	35.2809	-7.15893	OC30A	6793	6797	0	0	-0.34	
-6797	C2	SLES	1	11.4747	34.7819	-8.00434	CC32A	6796	6798	6799	6800	-0.01	
-6798	H2A	SLES	1	10.7418	35.6113	-7.96153	HCA2	6797	0	0	0	0.09	
-6799	H2B	SLES	1	11.9531	34.7775	-9.00955	HCA2	6797	0	0	0	0.09	
-6800	C1	SLES	1	10.7391	33.4253	-7.76783	CC32A	6797	6801	6802	6803	-0.01	
-6801	H1B	SLES	1	9.84556	33.5898	-7.12713	HCA2	6800	0	0	0	0.09	
-6802	H1A	SLES	1	10.4067	33.0146	-8.7422	HCA2	6800	0	0	0	0.09	
-6803	O1	SLES	1	11.3476	32.2932	-7.06725	OC30A	6800	6804	0	0	-0.34	
-6804	C1	SLES	1	10.8741	30.9653	-7.49926	CTL2	6803	6805	6806	6807	-0.18	
-6805	H11	SLES	1	9.99822	31.1284	-8.15308	HAL2	6804	0	0	0	0.09	
-6806	H12	SLES	1	11.7254	30.6238	-8.12363	HAL2	6804	0	0	0	0.09	
-6807	C2	SLES	1	10.53	29.8676	-6.41631	CTL2	6804	6808	6809	6810	-0.18	
-6808	H21	SLES	1	10.6706	30.3007	-5.40073	HAL2	6807	0	0	0	0.09	
-6809	H22	SLES	1	11.2376	29.0168	-6.5266	HAL2	6807	0	0	0	0.09	
-6810	C3	SLES	1	9.02571	29.322	-6.54976	CTL2	6807	6811	6812	6813	-0.18	
-6811	H31	SLES	1	8.40398	29.7765	-5.74651	HAL2	6810	0	0	0	0.09	
-6812	H32	SLES	1	8.60963	29.6444	-7.52504	HAL2	6810	0	0	0	0.09	
-6813	C4	SLES	1	8.92725	27.7435	-6.445	CTL2	6810	6814	6815	6816	-0.18	
-6814	H41	SLES	1	8.56939	27.4721	-5.42992	HAL2	6813	0	0	0	0.09	
-6815	H42	SLES	1	9.93945	27.305	-6.57975	HAL2	6813	0	0	0	0.09	
-6816	C5	SLES	1	7.94188	27.116	-7.5313	CTL2	6813	6817	6818	6819	-0.18	
-6817	H51	SLES	1	7.27817	27.9171	-7.92525	HAL2	6816	0	0	0	0.09	
-6818	H52	SLES	1	8.54357	26.7212	-8.38162	HAL2	6816	0	0	0	0.09	
-6819	C6	SLES	1	7.04976	25.9541	-6.95214	CTL2	6816	6820	6821	6822	-0.18	
-6820	H61	SLES	1	6.28012	26.39	-6.27633	HAL2	6819	0	0	0	0.09	
-6821	H62	SLES	1	6.52074	25.4496	-7.79425	HAL2	6819	0	0	0	0.09	
-6822	C7	SLES	1	7.87764	24.8913	-6.16265	CTL2	6819	6823	6824	6825	-0.18	
-6823	H71	SLES	1	8.0675	25.2703	-5.13403	HAL2	6822	0	0	0	0.09	
-6824	H72	SLES	1	8.86115	24.7503	-6.66383	HAL2	6822	0	0	0	0.09	
-6825	C8	SLES	1	7.15778	23.5228	-6.06974	CTL2	6822	6826	6827	6828	-0.18	
-6826	H81	SLES	1	6.09457	23.6894	-5.78124	HAL2	6825	0	0	0	0.09	
-6827	H82	SLES	1	7.17029	23.0363	-7.07163	HAL2	6825	0	0	0	0.09	
-6828	C9	SLES	1	7.81952	22.5749	-5.03828	CTL2	6825	6829	6830	6831	-0.18	
-6829	H91	SLES	1	7.83328	23.0742	-4.04286	HAL2	6828	0	0	0	0.09	
-6830	H92	SLES	1	8.87376	22.3866	-5.34264	HAL2	6828	0	0	0	0.09	
-6831	C10	SLES	1	7.08099	21.2212	-4.91315	CTL2	6828	6832	6833	6834	-0.18	
-6832	H10	SLES	1	6.03268	21.4078	-4.58601	HAL2	6831	0	0	0	0.09	
-6833	H10	SLES	1	7.04741	20.7315	-5.9127	HAL2	6831	0	0	0	0.09	
-6834	C11	SLES	1	7.76424	20.2628	-3.90196	CTL2	6831	6835	6836	6837	-0.18	
-6835	H11	SLES	1	7.7892	20.7543	-2.90248	HAL2	6834	0	0	0	0.09	
-6836	H11	SLES	1	8.81731	20.0936	-4.22343	HAL2	6834	0	0	0	0.09	
-6837	C12	SLES	1	7.05653	18.8898	-3.7661	CTL3	6834	6838	6839	6840	-0.27	
-6838	H12	SLES	1	6.72931	18.7259	-2.71566	HAL3	6837	0	0	0	0.09	
-6839	H12	SLES	1	7.74872	18.068	-4.05401	HAL3	6837	0	0	0	0.09	
-6840	H12	SLES	1	6.16286	18.8479	-4.42619	HAL3	6837	0	0	0	0.09	
-6841	NA	SLES	1	27.6203	33.2704	-9.07099	NA	0	0	0	0	1	
-6842	S	SLES	1	24.1712	33.9282	-10.0816	SL	6843	6844	6845	6846	1.33	
-6843	OS1	SLES	1	24.7049	32.4841	-9.42045	OSL	6842	6847	0	0	-0.28	
-6844	OS2	SLES	1	24.4883	34.9609	-9.11693	O2L	6842	0	0	0	-0.65	
-6845	OS3	SLES	1	24.9447	34.1285	-11.2892	O2L	6842	0	0	0	-0.65	
-6846	OS4	SLES	1	22.7512	33.9602	-10.3927	O2L	6842	0	0	0	-0.65	
-6847	C2	SLES	1	23.5468	31.5997	-9.10924	CC32A	6843	6848	6849	6850	-0.11	
-6848	H2A	SLES	1	22.8133	32.1274	-8.43796	HCA2	6847	0	0	0	0.09	
-6849	H2B	SLES	1	23.0317	31.3332	-10.0735	HCA2	6847	0	0	0	0.09	
-6850	C1	SLES	1	24.0745	30.2683	-8.39183	CC32A	6847	6851	6852	6853	-0.01	
-6851	H1B	SLES	1	24.6613	30.5347	-7.48268	HCA2	6850	0	0	0	0.09	
-6852	H1A	SLES	1	24.731	29.6965	-9.08839	HCA2	6850	0	0	0	0.09	
-6853	O1	SLES	1	23.1145	29.2667	-7.88878	OC30A	6850	6854	0	0	-0.34	
-6854	C2	SLES	1	21.7733	29.336	-8.41694	CC32A	6853	6855	6856	6857	-0.01	
-6855	H2A	SLES	1	21.4568	30.3479	-8.09636	HCA2	6854	0	0	0	0.09	
-6856	H2B	SLES	1	21.9488	29.3465	-9.51623	HCA2	6854	0	0	0	0.09	
-6857	C1	SLES	1	20.6499	28.3072	-8.0752	CC32A	6854	6858	6859	6860	-0.01	
-6858	H1B	SLES	1	20.0787	28.6565	-7.18763	HCA2	6857	0	0	0	0.09	
-6859	H1A	SLES	1	19.955	28.2251	-8.93487	HCA2	6857	0	0	0	0.09	
-6860	O1	SLES	1	20.9208	26.9257	-7.67386	OC30A	6857	6861	0	0	-0.34	
-6861	C1	SLES	1	19.8766	25.9528	-8.04417	CTL2	6860	6862	6863	6864	-0.18	
-6862	H11	SLES	1	19.0021	26.5306	-8.3943	HAL2	6861	0	0	0	0.09	
-6863	H12	SLES	1	20.3454	25.453	-8.91693	HAL2	6861	0	0	0	0.09	
-6864	C2	SLES	1	19.4098	24.8691	-6.99347	CTL2	6861	6865	6866	6867	-0.18	
-6865	H21	SLES	1	19.9533	25.032	-6.03591	HAL2	6864	0	0	0	0.09	
-6866	H22	SLES	1	19.6789	23.8589	-7.37237	HAL2	6864	0	0	0	0.09	
-6867	C3	SLES	1	17.8293	24.9233	-6.7148	CTL2	6864	6868	6869	6870	-0.18	
-6868	H31	SLES	1	17.6524	25.4132	-5.73146	HAL2	6867	0	0	0	0.09	
-6869	H32	SLES	1	17.3458	25.5437	-7.49551	HAL2	6867	0	0	0	0.09	
-6870	C4	SLES	1	17.1523	23.4901	-6.70428	CTL2	6867	6871	6872	6873	-0.18	
-6871	H41	SLES	1	16.9787	23.1821	-5.65208	HAL2	6870	0	0	0	0.09	
-6872	H42	SLES	1	17.8465	22.7552	-7.16598	HAL2	6870	0	0	0	0.09	
-6873	C5	SLES	1	15.766	23.4598	-7.49291	CTL2	6870	6874	6875	6876	-0.18	
-6874	H51	SLES	1	15.3924	24.5009	-7.61078	HAL2	6873	0	0	0	0.09	
-6875	H52	SLES	1	15.9368	23.0403	-8.51065	HAL2	6873	0	0	0	0.09	
-6876	C6	SLES	1	14.6639	22.6024	-6.76389	CTL2	6873	6877	6878	6879	-0.18	
-6877	H61	SLES	1	14.3171	23.1506	-5.85933	HAL2	6876	0	0	0	0.09	
-6878	H62	SLES	1	13.7906	22.4795	-7.44632	HAL2	6876	0	0	0	0.09	
-6879	C7	SLES	1	15.1784	21.191	-6.33787	CTL2	6876	6880	6881	6882	-0.18	
-6880	H71	SLES	1	15.7477	21.2843	-5.3866	HAL2	6879	0	0	0	0.09	
-6881	H72	SLES	1	15.8729	20.8062	-7.11755	HAL2	6879	0	0	0	0.09	
-6882	C8	SLES	1	14.029	20.1719	-6.13837	CTL2	6879	6883	6884	6885	-0.18	
-6883	H81	SLES	1	13.2214	20.6472	-5.53556	HAL2	6882	0	0	0	0.09	
-6884	H82	SLES	1	13.6039	19.9036	-7.13234	HAL2	6882	0	0	0	0.09	
-6885	C9	SLES	1	14.5004	18.8805	-5.42406	CTL2	6882	6886	6887	6888	-0.18	
-6886	H91	SLES	1	14.9522	19.1524	-4.44309	HAL2	6885	0	0	0	0.09	
-6887	H92	SLES	1	15.2877	18.3914	-6.04092	HAL2	6885	0	0	0	0.09	
-6888	C10	SLES	1	13.3481	17.8757	-5.18723	CTL2	6885	6889	6890	6891	-0.18	
-6889	H10	SLES	1	12.5711	18.357	-4.55057	HAL2	6888	0	0	0	0.09	
-6890	H10	SLES	1	12.8815	17.6204	-6.16553	HAL2	6888	0	0	0	0.09	
-6891	C11	SLES	1	13.8296	16.5707	-4.49939	CTL2	6888	6892	6893	6894	-0.18	
-6892	H11	SLES	1	14.2892	16.8308	-3.51847	HAL2	6891	0	0	0	0.09	
-6893	H11	SLES	1	14.619	16.1027	-5.13077	HAL2	6891	0	0	0	0.09	
-6894	C12	SLES	1	12.6997	15.5353	-4.26295	CTL3	6891	6895	6896	6897	-0.27	
-6895	H12	SLES	1	12.6038	15.3088	-3.17813	HAL3	6894	0	0	0	0.09	
-6896	H12	SLES	1	12.9227	14.5895	-4.8042	HAL3	6894	0	0	0	0.09	
-6897	H12	SLES	1	11.7279	15.9324	-4.62915	HAL3	6894	0	0	0	0.09	
-6898	NA	SLES	1	36.538	22.5917	-10.328	NA	0	0	0	0	1	
-6899	S	SLES	1	33.5189	24.6493	-10.2911	SL	6900	6901	6902	6903	1.33	
-6900	OS1	SLES	1	33.5392	22.9935	-10.036	OSL	6899	6904	0	0	-0.28	
-6901	OS2	SLES	1	34.3857	25.2281	-9.28558	O2L	6899	0	0	0	-0.65	
-6902	OS3	SLES	1	34.0827	24.8609	-11.6079	O2L	6899	0	0	0	-0.65	
-6903	OS4	SLES	1	32.199	25.2547	-10.215	O2L	6899	0	0	0	-0.65	
-6904	C2	SLES	1	32.1987	22.5242	-9.58515	CC32A	6900	6905	6906	6907	-0.11	
-6905	H2A	SLES	1	31.8671	23.0898	-8.67009	HCA2	6904	0	0	0	0.09	
-6906	H2B	SLES	1	31.4593	22.7061	-10.4137	HCA2	6904	0	0	0	0.09	
-6907	C1	SLES	1	32.2685	20.958	-9.25647	CC32A	6904	6908	6909	6910	-0.01	
-6908	H1B	SLES	1	33.0625	20.7647	-8.49895	HCA2	6907	0	0	0	0.09	
-6909	H1A	SLES	1	32.5088	20.3861	-10.1829	HCA2	6907	0	0	0	0.09	
-6910	O1	SLES	1	31.0932	20.2655	-8.69338	OC30A	6907	6911	0	0	-0.34	
-6911	C2	SLES	1	29.821	20.9311	-8.83826	CC32A	6910	6912	6913	6914	-0.01	
-6912	H2A	SLES	1	29.9962	21.8749	-8.28561	HCA2	6911	0	0	0	0.09	
-6913	H2B	SLES	1	29.79	21.1543	-9.92848	HCA2	6911	0	0	0	0.09	
-6914	C1	SLES	1	28.4596	20.3117	-8.39098	CC32A	6911	6915	6916	6917	-0.01	
-6915	H1B	SLES	1	28.2408	20.6051	-7.34117	HCA2	6914	0	0	0	0.09	
-6916	H1A	SLES	1	27.6504	20.6969	-9.04329	HCA2	6914	0	0	0	0.09	
-6917	O1	SLES	1	28.2227	18.8697	-8.30504	OC30A	6914	6918	0	0	-0.34	
-6918	C1	SLES	1	26.8297	18.4513	-8.547	CTL2	6917	6919	6920	6921	-0.18	
-6919	H11	SLES	1	26.2117	19.3673	-8.55976	HAL2	6918	0	0	0	0.09	
-6920	H12	SLES	1	26.8988	18.0543	-9.58089	HAL2	6918	0	0	0	0.09	
-6921	C2	SLES	1	26.1619	17.3743	-7.60343	CTL2	6918	6922	6923	6924	-0.18	
-6922	H21	SLES	1	26.8842	17.0906	-6.80559	HAL2	6921	0	0	0	0.09	
-6923	H22	SLES	1	25.9344	16.4632	-8.19911	HAL2	6921	0	0	0	0.09	
-6924	C3	SLES	1	24.8101	17.9083	-6.92081	CTL2	6921	6925	6926	6927	-0.18	
-6925	H31	SLES	1	25.0191	18.1661	-5.85868	HAL2	6924	0	0	0	0.09	
-6926	H32	SLES	1	24.4853	18.8333	-7.43756	HAL2	6924	0	0	0	0.09	
-6927	C4	SLES	1	23.6309	16.8503	-6.97043	CTL2	6924	6928	6929	6930	-0.18	
-6928	H41	SLES	1	23.5366	16.3699	-5.97422	HAL2	6927	0	0	0	0.09	
-6929	H42	SLES	1	23.8812	16.0592	-7.70968	HAL2	6927	0	0	0	0.09	
-6930	C5	SLES	1	22.2325	17.5071	-7.36794	CTL2	6927	6931	6932	6933	-0.18	
-6931	H51	SLES	1	22.291	18.6072	-7.21316	HAL2	6930	0	0	0	0.09	
-6932	H52	SLES	1	22.0401	17.3236	-8.44969	HAL2	6930	0	0	0	0.09	
-6933	C6	SLES	1	21.0266	16.938	-6.52938	CTL2	6930	6934	6935	6936	-0.18	
-6934	H61	SLES	1	21.0922	17.3278	-5.48882	HAL2	6933	0	0	0	0.09	
-6935	H62	SLES	1	20.0718	17.3046	-6.97351	HAL2	6933	0	0	0	0.09	
-6936	C7	SLES	1	21.0014	15.3772	-6.48781	CTL2	6933	6937	6938	6939	-0.18	
-6937	H71	SLES	1	21.7182	15.0233	-5.714	HAL2	6936	0	0	0	0.09	
-6938	H72	SLES	1	21.3359	14.9815	-7.47259	HAL2	6936	0	0	0	0.09	
-6939	C8	SLES	1	19.5954	14.8114	-6.16763	CTL2	6936	6940	6941	6942	-0.18	
-6940	H81	SLES	1	19.1642	15.3728	-5.30721	HAL2	6939	0	0	0	0.09	
-6941	H82	SLES	1	18.9312	14.9675	-7.048	HAL2	6939	0	0	0	0.09	
-6942	C9	SLES	1	19.6299	13.3018	-5.82082	CTL2	6939	6943	6944	6945	-0.18	
-6943	H91	SLES	1	20.3174	13.1428	-4.95913	HAL2	6942	0	0	0	0.09	
-6944	H92	SLES	1	20.0349	12.7386	-6.69163	HAL2	6942	0	0	0	0.09	
-6945	C10	SLES	1	18.2336	12.7406	-5.46201	CTL2	6942	6946	6947	6948	-0.18	
-6946	H10	SLES	1	17.8382	13.2882	-4.57626	HAL2	6945	0	0	0	0.09	
-6947	H10	SLES	1	17.5399	12.919	-6.31462	HAL2	6945	0	0	0	0.09	
-6948	C11	SLES	1	18.2671	11.2218	-5.1452	CTL2	6945	6949	6950	6951	-0.18	
-6949	H11	SLES	1	18.9569	11.0494	-4.28754	HAL2	6948	0	0	0	0.09	
-6950	H11	SLES	1	18.6799	10.6805	-6.02696	HAL2	6948	0	0	0	0.09	
-6951	C12	SLES	1	16.8787	10.6252	-4.79758	CTL3	6948	6952	6953	6954	-0.27	
-6952	H12	SLES	1	16.8927	10.1827	-3.77709	HAL3	6951	0	0	0	0.09	
-6953	H12	SLES	1	16.6069	9.82905	-5.52537	HAL3	6951	0	0	0	0.09	
-6954	H12	SLES	1	16.0982	11.4163	-4.83007	HAL3	6951	0	0	0	0.09	
-6955	NA	SLES	1	41.4608	9.92791	-11.5983	NA	0	0	0	0	1	
-6956	S	SLES	1	39.5282	12.8245	-10.4914	SL	6957	6958	6959	6960	1.33	
-6957	OS1	SLES	1	38.9088	11.275	-10.6431	OSL	6956	6961	0	0	-0.28	
-6958	OS2	SLES	1	40.6381	12.7317	-9.5657	O2L	6956	0	0	0	-0.65	
-6959	OS3	SLES	1	40.0122	13.1952	-11.8047	O2L	6956	0	0	0	-0.65	
-6960	OS4	SLES	1	38.5712	13.8125	-10.0198	O2L	6956	0	0	0	-0.65	
-6961	C2	SLES	1	37.5374	11.2084	-10.0643	CC32A	6957	6962	6963	6964	-0.11	
-6962	H2A	SLES	1	37.54	11.5607	-8.99513	HCA2	6961	0	0	0	0.09	
-6963	H2B	SLES	1	36.8625	11.8776	-10.6667	HCA2	6961	0	0	0	0.09	
-6964	C1	SLES	1	37.0053	9.69915	-10.1344	CC32A	6961	6965	6966	6967	-0.01	
-6965	H1B	SLES	1	37.7193	9.02086	-9.61299	HCA2	6964	0	0	0	0.09	
-6966	H1A	SLES	1	36.9158	9.37732	-11.1982	HCA2	6964	0	0	0	0.09	
-6967	O1	SLES	1	35.7055	9.34241	-9.53349	OC30A	6964	6968	0	0	-0.34	
-6968	C2	SLES	1	34.7969	10.4315	-9.2673	CC32A	6967	6969	6970	6971	-0.01	
-6969	H2A	SLES	1	35.3814	11.0431	-8.55241	HCA2	6968	0	0	0	0.09	
-6970	H2B	SLES	1	34.7623	10.9597	-10.2467	HCA2	6968	0	0	0	0.09	
-6971	C1	SLES	1	33.3461	10.2404	-8.7232	CC32A	6968	6972	6973	6974	-0.01	
-6972	H1B	SLES	1	33.3551	10.2715	-7.6119	HCA2	6971	0	0	0	0.09	
-6973	H1A	SLES	1	32.704	11.0633	-9.09628	HCA2	6971	0	0	0	0.09	
-6974	O1	SLES	1	32.5625	9.02233	-8.93564	OC30A	6971	6975	0	0	-0.34	
-6975	C1	SLES	1	31.1028	9.22242	-8.99428	CTL2	6974	6976	6977	6978	-0.18	
-6976	H11	SLES	1	30.9028	10.2598	-8.67026	HAL2	6975	0	0	0	0.09	
-6977	H12	SLES	1	30.9173	9.14859	-10.0858	HAL2	6975	0	0	0	0.09	
-6978	C2	SLES	1	30.1462	8.23147	-8.22028	CTL2	6975	6979	6980	6981	-0.18	
-6979	H21	SLES	1	30.7622	7.48709	-7.66782	HAL2	6978	0	0	0	0.09	
-6980	H22	SLES	1	29.5233	7.68018	-8.95827	HAL2	6978	0	0	0	0.09	
-6981	C3	SLES	1	29.1846	8.99006	-7.18181	CTL2	6978	6982	6983	6984	-0.18	
-6982	H31	SLES	1	29.5711	8.8325	-6.15024	HAL2	6981	0	0	0	0.09	
-6983	H32	SLES	1	29.2118	10.0778	-7.39249	HAL2	6981	0	0	0	0.09	
-6984	C4	SLES	1	27.682	8.49038	-7.24971	CTL2	6981	6985	6986	6987	-0.18	
-6985	H41	SLES	1	27.4914	7.80674	-6.39622	HAL2	6984	0	0	0	0.09	
-6986	H42	SLES	1	27.5305	7.91591	-8.18889	HAL2	6984	0	0	0	0.09	
-6987	C5	SLES	1	26.6326	9.69089	-7.20166	CTL2	6984	6988	6989	6990	-0.18	
-6988	H51	SLES	1	27.1381	10.5994	-6.80607	HAL2	6987	0	0	0	0.09	
-6989	H52	SLES	1	26.2892	9.91409	-8.23761	HAL2	6987	0	0	0	0.09	
-6990	C6	SLES	1	25.378	9.37384	-6.30335	CTL2	6987	6991	6992	6993	-0.18	
-6991	H61	SLES	1	25.6843	9.39107	-5.23331	HAL2	6990	0	0	0	0.09	
-6992	H62	SLES	1	24.6137	10.1716	-6.45428	HAL2	6990	0	0	0	0.09	
-6993	C7	SLES	1	24.7364	7.98757	-6.62717	CTL2	6990	6994	6995	6996	-0.18	
-6994	H71	SLES	1	25.3172	7.19002	-6.11308	HAL2	6993	0	0	0	0.09	
-6995	H72	SLES	1	24.798	7.80514	-7.72319	HAL2	6993	0	0	0	0.09	
-6996	C8	SLES	1	23.2552	7.89714	-6.18279	CTL2	6993	6997	6998	6999	-0.18	
-6997	H81	SLES	1	23.1605	8.29747	-5.14733	HAL2	6996	0	0	0	0.09	
-6998	H82	SLES	1	22.6342	8.53179	-6.85521	HAL2	6996	0	0	0	0.09	
-6999	C9	SLES	1	22.7152	6.44538	-6.21549	CTL2	6996	7000	7001	7002	-0.18	
-7000	H91	SLES	1	23.3546	5.80537	-5.56603	HAL2	6999	0	0	0	0.09	
-7001	H92	SLES	1	22.7842	6.05591	-7.25618	HAL2	6999	0	0	0	0.09	
-7002	C10	SLES	1	21.2481	6.34422	-5.73514	CTL2	6999	7003	7004	7005	-0.18	
-7003	H10	SLES	1	21.1828	6.71208	-4.68576	HAL2	7002	0	0	0	0.09	
-7004	H10	SLES	1	20.6114	7.00109	-6.37013	HAL2	7002	0	0	0	0.09	
-7005	C11	SLES	1	20.7008	4.89355	-5.79835	CTL2	7002	7006	7007	7008	-0.18	
-7006	H11	SLES	1	21.3367	4.24194	-5.15636	HAL2	7005	0	0	0	0.09	
-7007	H11	SLES	1	20.7847	4.52384	-6.84582	HAL2	7005	0	0	0	0.09	
-7008	C12	SLES	1	19.2258	4.76144	-5.33854	CTL3	7005	7009	7010	7011	-0.27	
-7009	H12	SLES	1	19.1513	4.06549	-4.47399	HAL3	7008	0	0	0	0.09	
-7010	H12	SLES	1	18.5967	4.36659	-6.16659	HAL3	7008	0	0	0	0.09	
-7011	H12	SLES	1	18.8258	5.75227	-5.03122	HAL3	7008	0	0	0	0.09	
-7012	NA	SLES	1	42.1574	-3.30866	-12.8018	NA	0	0	0	0	1	
-7013	S	SLES	1	41.4989	-0.386237	-10.7099	SL	7014	7015	7016	7017	1.33	
-7014	OS1	SLES	1	40.3251	-1.46429	-11.2268	OSL	7013	7018	0	0	-0.28	
-7015	OS2	SLES	1	42.4753	-1.16588	-9.97745	O2L	7013	0	0	0	-0.65	
-7016	OS3	SLES	1	42.1023	0.1576	-11.9085	O2L	7013	0	0	0	-0.65	
-7017	OS4	SLES	1	40.9993	0.693531	-9.87386	O2L	7013	0	0	0	-0.65	
-7018	C2	SLES	1	39.0309	-1.18524	-10.543	CC32A	7014	7019	7020	7021	-0.11	
-7019	H2A	SLES	1	39.1604	-1.20403	-9.42494	HCA2	7018	0	0	0	0.09	
-7020	H2B	SLES	1	38.6771	-0.162602	-10.8516	HCA2	7018	0	0	0	0.09	
-7021	C1	SLES	1	37.9523	-2.28574	-10.9805	CC32A	7018	7022	7023	7024	-0.01	
-7022	H1B	SLES	1	38.3395	-3.30625	-10.7558	HCA2	7021	0	0	0	0.09	
-7023	H1A	SLES	1	37.7547	-2.20936	-12.0751	HCA2	7021	0	0	0	0.09	
-7024	O1	SLES	1	36.6106	-2.29425	-10.3661	OC30A	7021	7025	0	0	-0.34	
-7025	C2	SLES	1	36.1969	-1.08146	-9.70227	CC32A	7024	7026	7027	7028	-0.01	
-7026	H2A	SLES	1	36.9668	-0.983178	-8.91206	HCA2	7025	0	0	0	0.09	
-7027	H2B	SLES	1	36.3811	-0.307291	-10.4808	HCA2	7025	0	0	0	0.09	
-7028	C1	SLES	1	34.7814	-0.871058	-9.07819	CC32A	7025	7029	7030	7031	-0.01	
-7029	H1B	SLES	1	34.7909	-1.18626	-8.01207	HCA2	7028	0	0	0	0.09	
-7030	H1A	SLES	1	34.5155	0.203829	-9.12833	HCA2	7028	0	0	0	0.09	
-7031	O1	SLES	1	33.5864	-1.57889	-9.54048	OC30A	7028	7032	0	0	-0.34	
-7032	C1	SLES	1	32.3216	-0.838781	-9.37807	CTL2	7031	7033	7034	7035	-0.18	
-7033	H11	SLES	1	32.5394	0.0455374	-8.75221	HAL2	7032	0	0	0	0.09	
-7034	H12	SLES	1	32.1327	-0.500853	-10.418	HAL2	7032	0	0	0	0.09	
-7035	C2	SLES	1	31.0462	-1.58394	-8.81727	CTL2	7032	7036	7037	7038	-0.18	
-7036	H21	SLES	1	31.3171	-2.63506	-8.57108	HAL2	7035	0	0	0	0.09	
-7037	H22	SLES	1	30.2648	-1.60795	-9.60807	HAL2	7035	0	0	0	0.09	
-7038	C3	SLES	1	30.4472	-0.876287	-7.50623	CTL2	7035	7039	7040	7041	-0.18	
-7039	H31	SLES	1	30.7312	-1.47379	-6.61145	HAL2	7038	0	0	0	0.09	
-7040	H32	SLES	1	30.8992	0.130057	-7.40036	HAL2	7038	0	0	0	0.09	
-7041	C4	SLES	1	28.8695	-0.729852	-7.54701	CTL2	7038	7042	7043	7044	-0.18	
-7042	H41	SLES	1	28.4186	-1.51734	-6.90774	HAL2	7041	0	0	0	0.09	
-7043	H42	SLES	1	28.5149	-0.889468	-8.58809	HAL2	7041	0	0	0	0.09	
-7044	C5	SLES	1	28.372	0.699799	-7.04367	CTL2	7041	7045	7046	7047	-0.18	
-7045	H51	SLES	1	29.1883	1.18504	-6.4643	HAL2	7044	0	0	0	0.09	
-7046	H52	SLES	1	28.1533	1.33998	-7.92871	HAL2	7044	0	0	0	0.09	
-7047	C6	SLES	1	27.0844	0.618341	-6.13981	CTL2	7044	7048	7049	7050	-0.18	
-7048	H61	SLES	1	27.3625	0.192176	-5.14979	HAL2	7047	0	0	0	0.09	
-7049	H62	SLES	1	26.694	1.6493	-5.97205	HAL2	7047	0	0	0	0.09	
-7050	C7	SLES	1	25.9555	-0.256015	-6.77172	CTL2	7047	7051	7052	7053	-0.18	
-7051	H71	SLES	1	26.1735	-1.32879	-6.57332	HAL2	7050	0	0	0	0.09	
-7052	H72	SLES	1	25.9517	-0.104398	-7.87415	HAL2	7050	0	0	0	0.09	
-7053	C8	SLES	1	24.5524	0.08436	-6.21059	CTL2	7050	7054	7055	7056	-0.18	
-7054	H81	SLES	1	24.6113	0.154394	-5.10018	HAL2	7053	0	0	0	0.09	
-7055	H82	SLES	1	24.2352	1.07789	-6.6017	HAL2	7053	0	0	0	0.09	
-7056	C9	SLES	1	23.4885	-0.974229	-6.59516	CTL2	7053	7057	7058	7059	-0.18	
-7057	H91	SLES	1	23.8207	-1.97236	-6.22949	HAL2	7056	0	0	0	0.09	
-7058	H92	SLES	1	23.4102	-1.02357	-7.70464	HAL2	7056	0	0	0	0.09	
-7059	C10	SLES	1	22.0937	-0.659499	-6.00438	CTL2	7056	7060	7061	7062	-0.18	
-7060	H10	SLES	1	22.167	-0.63316	-4.8932	HAL2	7059	0	0	0	0.09	
-7061	H10	SLES	1	21.7705	0.34792	-6.35178	HAL2	7059	0	0	0	0.09	
-7062	C11	SLES	1	21.0239	-1.70512	-6.41689	CTL2	7059	7063	7064	7065	-0.18	
-7063	H11	SLES	1	21.3484	-2.70978	-6.06124	HAL2	7062	0	0	0	0.09	
-7064	H11	SLES	1	20.9672	-1.74067	-7.52884	HAL2	7062	0	0	0	0.09	
-7065	C12	SLES	1	19.61	-1.40825	-5.8536	CTL3	7062	7066	7067	7068	-0.27	
-7066	H12	SLES	1	19.2611	-2.2534	-5.22012	HAL3	7065	0	0	0	0.09	
-7067	H12	SLES	1	18.8849	-1.2655	-6.68496	HAL3	7065	0	0	0	0.09	
-7068	H12	SLES	1	19.6259	-0.484686	-5.23481	HAL3	7065	0	0	0	0.09	
-7069	NA	SLES	1	38.8497	-15.8287	-13.8649	NA	0	0	0	0	1	
-7070	S	SLES	1	39.1315	-13.6142	-10.9723	SL	7071	7072	7073	7074	1.33	
-7071	OS1	SLES	1	37.6984	-13.9461	-11.7743	OSL	7070	7075	0	0	-0.28	
-7072	OS2	SLES	1	39.6553	-14.8891	-10.5275	O2L	7070	0	0	0	-0.65	
-7073	OS3	SLES	1	40.0196	-13.034	-11.9578	O2L	7070	0	0	0	-0.65	
-7074	OS4	SLES	1	38.9933	-12.7131	-9.83939	O2L	7070	0	0	0	-0.65	
-7075	C2	SLES	1	36.5422	-13.3883	-11.0177	CC32A	7071	7076	7077	7078	-0.11	
-7076	H2A	SLES	1	36.5355	-13.7753	-9.96064	HCA2	7075	0	0	0	0.09	
-7077	H2B	SLES	1	36.6378	-12.2673	-10.9947	HCA2	7075	0	0	0	0.09	
-7078	C1	SLES	1	35.1797	-13.8001	-11.7524	CC32A	7075	7079	7080	7081	-0.01	
-7079	H1B	SLES	1	35.1245	-14.9083	-11.8553	HCA2	7078	0	0	0	0.09	
-7080	H1A	SLES	1	35.1432	-13.3426	-12.7686	HCA2	7078	0	0	0	0.09	
-7081	O1	SLES	1	33.8781	-13.4549	-11.1487	OC30A	7078	7082	0	0	-0.34	
-7082	C2	SLES	1	33.8877	-12.4222	-10.1407	CC32A	7081	7083	7084	7085	-0.01	
-7083	H2A	SLES	1	34.5488	-12.8653	-9.37032	HCA2	7082	0	0	0	0.09	
-7084	H2B	SLES	1	34.4333	-11.5958	-10.6493	HCA2	7082	0	0	0	0.09	
-7085	C1	SLES	1	32.6004	-11.8595	-9.45992	CC32A	7082	7086	7087	7088	-0.01	
-7086	H1B	SLES	1	32.3763	-12.4434	-8.5407	HCA2	7085	0	0	0	0.09	
-7087	H1A	SLES	1	32.7692	-10.8014	-9.17618	HCA2	7085	0	0	0	0.09	
-7088	O1	SLES	1	31.2825	-11.8753	-10.0969	OC30A	7085	7089	0	0	-0.34	
-7089	C1	SLES	1	30.3835	-10.7771	-9.69688	CTL2	7088	7090	7091	7092	-0.18	
-7090	H11	SLES	1	30.8529	-10.2692	-8.83498	HAL2	7089	0	0	0	0.09	
-7091	H12	SLES	1	30.4486	-10.1103	-10.5814	HAL2	7089	0	0	0	0.09	
-7092	C2	SLES	1	28.8691	-11.0864	-9.36956	CTL2	7089	7093	7094	7095	-0.18	
-7093	H21	SLES	1	28.693	-12.1817	-9.45943	HAL2	7092	0	0	0	0.09	
-7094	H22	SLES	1	28.2257	-10.5736	-10.1177	HAL2	7092	0	0	0	0.09	
-7095	C3	SLES	1	28.448	-10.607	-7.89602	CTL2	7092	7096	7097	7098	-0.18	
-7096	H31	SLES	1	28.3873	-11.4966	-7.23027	HAL2	7095	0	0	0	0.09	
-7097	H32	SLES	1	29.234	-9.93603	-7.49589	HAL2	7095	0	0	0	0.09	
-7098	C4	SLES	1	27.0578	-9.84629	-7.86538	CTL2	7095	7099	7100	7101	-0.18	
-7099	H41	SLES	1	26.2767	-10.5395	-7.48922	HAL2	7098	0	0	0	0.09	
-7100	H42	SLES	1	26.7818	-9.54856	-8.89989	HAL2	7098	0	0	0	0.09	
-7101	C5	SLES	1	27.0896	-8.54527	-6.94282	CTL2	7098	7102	7103	7104	-0.18	
-7102	H51	SLES	1	27.9625	-8.60832	-6.25616	HAL2	7101	0	0	0	0.09	
-7103	H52	SLES	1	27.2255	-7.64688	-7.58733	HAL2	7101	0	0	0	0.09	
-7104	C6	SLES	1	25.7794	-8.3679	-6.08649	CTL2	7101	7105	7106	7107	-0.18	
-7105	H61	SLES	1	25.7682	-9.13269	-5.27777	HAL2	7104	0	0	0	0.09	
-7106	H62	SLES	1	25.794	-7.36143	-5.60663	HAL2	7104	0	0	0	0.09	
-7107	C7	SLES	1	24.4771	-8.50669	-6.93675	CTL2	7104	7108	7109	7110	-0.18	
-7108	H71	SLES	1	24.2494	-9.5865	-7.07789	HAL2	7107	0	0	0	0.09	
-7109	H72	SLES	1	24.6481	-8.05762	-7.94045	HAL2	7107	0	0	0	0.09	
-7110	C8	SLES	1	23.2571	-7.8173	-6.27655	CTL2	7107	7111	7112	7113	-0.18	
-7111	H81	SLES	1	23.2201	-8.09675	-5.19862	HAL2	7110	0	0	0	0.09	
-7112	H82	SLES	1	23.3841	-6.71265	-6.3415	HAL2	7110	0	0	0	0.09	
-7113	C9	SLES	1	21.9184	-8.21337	-6.94836	CTL2	7110	7114	7115	7116	-0.18	
-7114	H91	SLES	1	21.8061	-9.32072	-6.90928	HAL2	7113	0	0	0	0.09	
-7115	H92	SLES	1	21.9454	-7.90852	-8.0188	HAL2	7113	0	0	0	0.09	
-7116	C10	SLES	1	20.6932	-7.55816	-6.26787	CTL2	7113	7117	7118	7119	-0.18	
-7117	H10	SLES	1	20.6526	-7.88162	-5.20274	HAL2	7116	0	0	0	0.09	
-7118	H10	SLES	1	20.8153	-6.45147	-6.28687	HAL2	7116	0	0	0	0.09	
-7119	C11	SLES	1	19.3569	-7.93258	-6.96225	CTL2	7116	7120	7121	7122	-0.18	
-7120	H11	SLES	1	19.2362	-9.03972	-6.93457	HAL2	7119	0	0	0	0.09	
-7121	H11	SLES	1	19.4092	-7.62344	-8.03119	HAL2	7119	0	0	0	0.09	
-7122	C12	SLES	1	18.1103	-7.27758	-6.31308	CTL3	7119	7123	7124	7125	-0.27	
-7123	H12	SLES	1	17.4017	-8.05965	-5.96161	HAL3	7122	0	0	0	0.09	
-7124	H12	SLES	1	17.5862	-6.62973	-7.04994	HAL3	7122	0	0	0	0.09	
-7125	H12	SLES	1	18.4097	-6.65383	-5.44278	HAL3	7122	0	0	0	0.09	
-7126	NA	SLES	1	32.0756	-26.5767	-14.728	NA	0	0	0	0	1	
-7127	S	SLES	1	32.6005	-25.4271	-11.2997	SL	7128	7129	7130	7131	1.33	
-7128	OS1	SLES	1	31.3285	-24.9421	-12.2765	OSL	7127	7132	0	0	-0.28	
-7129	OS2	SLES	1	32.5181	-26.8701	-11.2084	O2L	7127	0	0	0	-0.65	
-7130	OS3	SLES	1	33.8113	-25.0463	-11.9965	O2L	7127	0	0	0	-0.65	
-7131	OS4	SLES	1	32.5928	-24.8452	-9.96713	O2L	7127	0	0	0	-0.65	
-7132	C2	SLES	1	30.3404	-24.1563	-11.4851	CC32A	7128	7133	7134	7135	-0.11	
-7133	H2A	SLES	1	29.9884	-24.7449	-10.5924	HCA2	7132	0	0	0	0.09	
-7134	H2B	SLES	1	30.839	-23.2135	-11.1262	HCA2	7132	0	0	0	0.09	
-7135	C1	SLES	1	29.09	-23.7865	-12.4155	CC32A	7132	7136	7137	7138	-0.01	
-7136	H1B	SLES	1	28.6481	-24.7157	-12.8435	HCA2	7135	0	0	0	0.09	
-7137	H1A	SLES	1	29.421	-23.1278	-13.252	HCA2	7135	0	0	0	0.09	
-7138	O1	SLES	1	27.92	-23.0922	-11.8439	OC30A	7135	7139	0	0	-0.34	
-7139	C2	SLES	1	28.1193	-22.4254	-10.5797	CC32A	7138	7140	7141	7142	-0.01	
-7140	H2A	SLES	1	28.4081	-23.2692	-9.92282	HCA2	7139	0	0	0	0.09	
-7141	H2B	SLES	1	29.0191	-21.8005	-10.7775	HCA2	7139	0	0	0	0.09	
-7142	C1	SLES	1	27.0283	-21.5635	-9.86959	CC32A	7139	7143	7144	7145	-0.01	
-7143	H1B	SLES	1	26.4322	-22.2038	-9.18354	HCA2	7142	0	0	0	0.09	
-7144	H1A	SLES	1	27.5202	-20.7679	-9.27496	HCA2	7142	0	0	0	0.09	
-7145	O1	SLES	1	25.9468	-20.8864	-10.587	OC30A	7142	7146	0	0	-0.34	
-7146	C1	SLES	1	25.4611	-19.6455	-9.95583	CTL2	7145	7147	7148	7149	-0.18	
-7147	H11	SLES	1	25.9114	-19.5947	-8.94791	HAL2	7146	0	0	0	0.09	
-7148	H12	SLES	1	25.9369	-18.8752	-10.5972	HAL2	7146	0	0	0	0.09	
-7149	C2	SLES	1	23.9077	-19.3749	-9.85679	CTL2	7146	7150	7151	7152	-0.18	
-7150	H21	SLES	1	23.3583	-20.2463	-10.2783	HAL2	7149	0	0	0	0.09	
-7151	H22	SLES	1	23.6565	-18.4823	-10.4706	HAL2	7149	0	0	0	0.09	
-7152	C3	SLES	1	23.4211	-19.1293	-8.34636	CTL2	7149	7153	7154	7155	-0.18	
-7153	H31	SLES	1	22.9084	-20.0458	-7.9784	HAL2	7152	0	0	0	0.09	
-7154	H32	SLES	1	24.3079	-18.9552	-7.70488	HAL2	7152	0	0	0	0.09	
-7155	C4	SLES	1	22.4345	-17.8968	-8.20564	CTL2	7152	7156	7157	7158	-0.18	
-7156	H41	SLES	1	21.3955	-18.2765	-8.11383	HAL2	7155	0	0	0	0.09	
-7157	H42	SLES	1	22.4922	-17.2763	-9.12579	HAL2	7155	0	0	0	0.09	
-7158	C5	SLES	1	22.77	-16.9825	-6.94223	CTL2	7155	7159	7160	7161	-0.18	
-7159	H51	SLES	1	23.4084	-17.5584	-6.23644	HAL2	7158	0	0	0	0.09	
-7160	H52	SLES	1	23.3502	-16.094	-7.28132	HAL2	7158	0	0	0	0.09	
-7161	C6	SLES	1	21.4816	-16.4923	-6.17995	CTL2	7158	7162	7163	7164	-0.18	
-7162	H61	SLES	1	21.0328	-17.353	-5.63517	HAL2	7161	0	0	0	0.09	
-7163	H62	SLES	1	21.7767	-15.7254	-5.4261	HAL2	7161	0	0	0	0.09	
-7164	C7	SLES	1	20.4093	-15.8794	-7.13541	CTL2	7161	7165	7166	7167	-0.18	
-7165	H71	SLES	1	19.8285	-16.7038	-7.60533	HAL2	7164	0	0	0	0.09	
-7166	H72	SLES	1	20.9234	-15.316	-7.94577	HAL2	7164	0	0	0	0.09	
-7167	C8	SLES	1	19.4304	-14.9287	-6.4023	CTL2	7164	7168	7169	7170	-0.18	
-7168	H81	SLES	1	19.0869	-15.4151	-5.46063	HAL2	7167	0	0	0	0.09	
-7169	H82	SLES	1	19.9684	-13.9923	-6.12949	HAL2	7167	0	0	0	0.09	
-7170	C9	SLES	1	18.1955	-14.5698	-7.26629	CTL2	7167	7171	7172	7173	-0.18	
-7171	H91	SLES	1	17.675	-15.5085	-7.56334	HAL2	7170	0	0	0	0.09	
-7172	H92	SLES	1	18.538	-14.0586	-8.19417	HAL2	7170	0	0	0	0.09	
-7173	C10	SLES	1	17.1954	-13.6518	-6.52431	CTL2	7170	7174	7175	7176	-0.18	
-7174	H10	SLES	1	16.8347	-14.1726	-5.60804	HAL2	7173	0	0	0	0.09	
-7175	H10	SLES	1	17.7208	-12.7225	-6.20753	HAL2	7173	0	0	0	0.09	
-7176	C11	SLES	1	15.975	-13.2695	-7.40324	CTL2	7173	7177	7178	7179	-0.18	
-7177	H11	SLES	1	15.449	-14.2018	-7.71177	HAL2	7176	0	0	0	0.09	
-7178	H11	SLES	1	16.3418	-12.7653	-8.32639	HAL2	7176	0	0	0	0.09	
-7179	C12	SLES	1	14.9613	-12.3356	-6.69287	CTL3	7176	7180	7181	7182	-0.27	
-7180	H12	SLES	1	13.9599	-12.8174	-6.64484	HAL3	7179	0	0	0	0.09	
-7181	H12	SLES	1	14.8665	-11.3755	-7.24665	HAL3	7179	0	0	0	0.09	
-7182	H12	SLES	1	15.2984	-12.1151	-5.65661	HAL3	7179	0	0	0	0.09	
-7183	NA	SLES	1	22.5542	-34.752	-15.3522	NA	0	0	0	0	1	
-7184	S	SLES	1	22.5697	-34.5047	-11.7068	SL	7185	7186	7187	7188	1.33	
-7185	OS1	SLES	1	21.8647	-33.3797	-12.7289	OSL	7184	7189	0	0	-0.28	
-7186	OS2	SLES	1	21.9377	-35.7746	-11.999	O2L	7184	0	0	0	-0.65	
-7187	OS3	SLES	1	23.9704	-34.5568	-12.07	O2L	7184	0	0	0	-0.65	
-7188	OS4	SLES	1	22.4368	-34.1994	-10.2913	O2L	7184	0	0	0	-0.65	
-7189	C2	SLES	1	21.071	-32.3938	-11.9425	CC32A	7185	7190	7191	7192	-0.11	
-7190	H2A	SLES	1	20.3097	-32.9185	-11.3006	HCA2	7189	0	0	0	0.09	
-7191	H2B	SLES	1	21.7736	-31.8185	-11.278	HCA2	7189	0	0	0	0.09	
-7192	C1	SLES	1	20.3307	-31.3885	-12.9461	CC32A	7189	7193	7194	7195	-0.01	
-7193	H1B	SLES	1	19.7015	-31.964	-13.6635	HCA2	7192	0	0	0	0.09	
-7194	H1A	SLES	1	21.0849	-30.8015	-13.5203	HCA2	7192	0	0	0	0.09	
-7195	O1	SLES	1	19.3972	-30.3722	-12.4229	OC30A	7192	7196	0	0	-0.34	
-7196	C2	SLES	1	19.498	-30.0664	-11.0162	CC32A	7195	7197	7198	7199	-0.01	
-7197	H2A	SLES	1	19.2745	-31.0486	-10.5554	HCA2	7196	0	0	0	0.09	
-7198	H2B	SLES	1	20.5837	-29.852	-10.8948	HCA2	7196	0	0	0	0.09	
-7199	C1	SLES	1	18.6616	-28.9562	-10.3055	CC32A	7196	7200	7201	7202	-0.01	
-7200	H1B	SLES	1	17.7162	-29.3913	-9.91452	HCA2	7199	0	0	0	0.09	
-7201	H1A	SLES	1	19.2432	-28.5482	-9.45466	HCA2	7199	0	0	0	0.09	
-7202	O1	SLES	1	18.1313	-27.7817	-10.9998	OC30A	7199	7203	0	0	-0.34	
-7203	C1	SLES	1	17.9961	-26.573	-10.1662	CTL2	7202	7204	7205	7206	-0.18	
-7204	H11	SLES	1	18.1583	-26.8807	-9.11728	HAL2	7203	0	0	0	0.09	
-7205	H12	SLES	1	18.8709	-25.9787	-10.502	HAL2	7203	0	0	0	0.09	
-7206	C2	SLES	1	16.6844	-25.6978	-10.2652	CTL2	7203	7207	7208	7209	-0.18	
-7207	H21	SLES	1	15.979	-26.1778	-10.9799	HAL2	7206	0	0	0	0.09	
-7208	H22	SLES	1	16.9485	-24.6949	-10.6662	HAL2	7206	0	0	0	0.09	
-7209	C3	SLES	1	15.9538	-25.5219	-8.84615	CTL2	7206	7210	7211	7212	-0.18	
-7210	H31	SLES	1	15.0619	-26.1866	-8.81408	HAL2	7209	0	0	0	0.09	
-7211	H32	SLES	1	16.6454	-25.842	-8.0415	HAL2	7209	0	0	0	0.09	
-7212	C4	SLES	1	15.494	-24.031	-8.56636	CTL2	7209	7213	7214	7215	-0.18	
-7213	H41	SLES	1	14.4023	-23.9509	-8.75016	HAL2	7212	0	0	0	0.09	
-7214	H42	SLES	1	16.0115	-23.3502	-9.2761	HAL2	7212	0	0	0	0.09	
-7215	C5	SLES	1	15.8084	-23.5609	-7.07477	CTL2	7212	7216	7217	7218	-0.18	
-7216	H51	SLES	1	15.9837	-24.4578	-6.44062	HAL2	7215	0	0	0	0.09	
-7217	H52	SLES	1	16.7427	-22.9542	-7.07507	HAL2	7215	0	0	0	0.09	
-7218	C6	SLES	1	14.6446	-22.7087	-6.44167	CTL2	7215	7219	7220	7221	-0.18	
-7219	H61	SLES	1	13.7852	-23.3793	-6.21626	HAL2	7218	0	0	0	0.09	
-7220	H62	SLES	1	14.999	-22.2701	-5.47964	HAL2	7218	0	0	0	0.09	
-7221	C7	SLES	1	14.1598	-21.5565	-7.37743	CTL2	7218	7222	7223	7224	-0.18	
-7222	H71	SLES	1	13.4563	-21.9735	-8.1317	HAL2	7221	0	0	0	0.09	
-7223	H72	SLES	1	15.0354	-21.1356	-7.92012	HAL2	7221	0	0	0	0.09	
-7224	C8	SLES	1	13.4506	-20.4175	-6.60335	CTL2	7221	7225	7226	7227	-0.18	
-7225	H81	SLES	1	12.722	-20.8625	-5.88736	HAL2	7224	0	0	0	0.09	
-7226	H82	SLES	1	14.2079	-19.8504	-6.01573	HAL2	7224	0	0	0	0.09	
-7227	C9	SLES	1	12.7029	-19.4392	-7.54371	CTL2	7224	7228	7229	7230	-0.18	
-7228	H91	SLES	1	11.9664	-20.0118	-8.15207	HAL2	7227	0	0	0	0.09	
-7229	H92	SLES	1	13.4361	-18.974	-8.24049	HAL2	7227	0	0	0	0.09	
-7230	C10	SLES	1	11.9602	-18.3221	-6.77306	CTL2	7227	7231	7232	7233	-0.18	
-7231	H10	SLES	1	11.2102	-18.7864	-6.09283	HAL2	7230	0	0	0	0.09	
-7232	H10	SLES	1	12.6925	-17.7632	-6.14746	HAL2	7230	0	0	0	0.09	
-7233	C11	SLES	1	11.2381	-17.3265	-7.71926	CTL2	7230	7234	7235	7236	-0.18	
-7234	H11	SLES	1	10.502	-17.8892	-8.33788	HAL2	7233	0	0	0	0.09	
-7235	H11	SLES	1	11.9892	-16.8784	-8.40921	HAL2	7233	0	0	0	0.09	
-7236	C12	SLES	1	10.4973	-16.1842	-6.97697	CTL3	7233	7237	7238	7239	-0.27	
-7237	H12	SLES	1	9.41249	-16.2038	-7.222	HAL3	7236	0	0	0	0.09	
-7238	H12	SLES	1	10.9108	-15.1962	-7.27742	HAL3	7236	0	0	0	0.09	
-7239	H12	SLES	1	10.6143	-16.2976	-5.87715	HAL3	7236	0	0	0	0.09	
-7240	NA	SLES	1	11.1006	-39.77	-15.7227	NA	0	0	0	0	1	
-7241	S	SLES	1	10.1333	-39.8183	-12.1996	SL	7242	7243	7244	7245	1.33	
-7242	OS1	SLES	1	10.2438	-38.4306	-13.132	OSL	7241	7246	0	0	-0.28	
-7243	OS2	SLES	1	9.18287	-40.6839	-12.8667	O2L	7241	0	0	0	-0.65	
-7244	OS3	SLES	1	11.4487	-40.4232	-12.2201	O2L	7241	0	0	0	-0.65	
-7245	OS4	SLES	1	9.71533	-39.5896	-10.8257	O2L	7241	0	0	0	-0.65	
-7246	C2	SLES	1	9.69062	-37.2638	-12.3885	CC32A	7242	7247	7248	7249	-0.11	
-7247	H2A	SLES	1	8.63444	-37.4685	-12.0572	HCA2	7246	0	0	0	0.09	
-7248	H2B	SLES	1	10.3292	-37.0841	-11.4795	HCA2	7246	0	0	0	0.09	
-7249	C1	SLES	1	9.7193	-35.971	-13.3339	CC32A	7246	7250	7251	7252	-0.01	
-7250	H1B	SLES	1	9.16054	-36.1777	-14.2757	HCA2	7249	0	0	0	0.09	
-7251	H1A	SLES	1	10.7729	-35.712	-13.5908	HCA2	7249	0	0	0	0.09	
-7252	O1	SLES	1	9.13257	-34.6992	-12.8691	OC30A	7249	7253	0	0	-0.34	
-7253	C2	SLES	1	8.92241	-34.5668	-11.4475	CC32A	7252	7254	7255	7256	-0.01	
-7254	H2A	SLES	1	8.21749	-35.397	-11.2456	HCA2	7253	0	0	0	0.09	
-7255	H2B	SLES	1	9.91994	-34.8342	-11.0318	HCA2	7253	0	0	0	0.09	
-7256	C1	SLES	1	8.40123	-33.2641	-10.7631	CC32A	7253	7257	7258	7259	-0.01	
-7257	H1B	SLES	1	7.29171	-33.2924	-10.6983	HCA2	7256	0	0	0	0.09	
-7258	H1A	SLES	1	8.81529	-33.199	-9.73693	HCA2	7256	0	0	0	0.09	
-7259	O1	SLES	1	8.58717	-31.9282	-11.332	OC30A	7256	7260	0	0	-0.34	
-7260	C1	SLES	1	8.68192	-30.8376	-10.3442	CTL2	7259	7261	7262	7263	-0.18	
-7261	H11	SLES	1	8.39799	-31.2604	-9.36356	HAL2	7260	0	0	0	0.09	
-7262	H12	SLES	1	9.77374	-30.6395	-10.3436	HAL2	7260	0	0	0	0.09	
-7263	C2	SLES	1	7.89352	-29.4905	-10.589	CTL2	7260	7264	7265	7266	-0.18	
-7264	H21	SLES	1	7.30345	-29.579	-11.5286	HAL2	7263	0	0	0	0.09	
-7265	H22	SLES	1	8.62438	-28.6627	-10.7204	HAL2	7263	0	0	0	0.09	
-7266	C3	SLES	1	6.90133	-29.1298	-9.37906	CTL2	7263	7267	7268	7269	-0.18	
-7267	H31	SLES	1	5.8574	-29.3625	-9.68629	HAL2	7266	0	0	0	0.09	
-7268	H32	SLES	1	7.14885	-29.7669	-8.50668	HAL2	7266	0	0	0	0.09	
-7269	C4	SLES	1	6.98205	-27.6079	-8.9439	CTL2	7266	7270	7271	7272	-0.18	
-7270	H41	SLES	1	6.10947	-27.0665	-9.36543	HAL2	7269	0	0	0	0.09	
-7271	H42	SLES	1	7.90369	-27.1552	-9.36894	HAL2	7269	0	0	0	0.09	
-7272	C5	SLES	1	6.99652	-27.4218	-7.35962	CTL2	7269	7273	7274	7275	-0.18	
-7273	H51	SLES	1	6.62248	-28.3538	-6.88113	HAL2	7272	0	0	0	0.09	
-7274	H52	SLES	1	8.04624	-27.2618	-7.02282	HAL2	7272	0	0	0	0.09	
-7275	C6	SLES	1	6.11314	-26.2107	-6.87579	CTL2	7272	7276	7277	7278	-0.18	
-7276	H61	SLES	1	5.03841	-26.4762	-6.99215	HAL2	7275	0	0	0	0.09	
-7277	H62	SLES	1	6.30682	-26.0313	-5.79239	HAL2	7275	0	0	0	0.09	
-7278	C7	SLES	1	6.4017	-24.8964	-7.66804	CTL2	7275	7279	7280	7281	-0.18	
-7279	H71	SLES	1	5.84885	-24.9257	-8.63305	HAL2	7278	0	0	0	0.09	
-7280	H72	SLES	1	7.48932	-24.8406	-7.89677	HAL2	7278	0	0	0	0.09	
-7281	C8	SLES	1	5.98425	-23.6252	-6.88745	CTL2	7278	7282	7283	7284	-0.18	
-7282	H81	SLES	1	4.96534	-23.7767	-6.46289	HAL2	7281	0	0	0	0.09	
-7283	H82	SLES	1	6.6905	-23.4701	-6.04023	HAL2	7281	0	0	0	0.09	
-7284	C9	SLES	1	5.97764	-22.3585	-7.77951	CTL2	7281	7285	7286	7287	-0.18	
-7285	H91	SLES	1	5.29379	-22.5257	-8.64248	HAL2	7284	0	0	0	0.09	
-7286	H92	SLES	1	7.00267	-22.192	-8.18087	HAL2	7284	0	0	0	0.09	
-7287	C10	SLES	1	5.52359	-21.0929	-7.01428	CTL2	7284	7288	7289	7290	-0.18	
-7288	H10	SLES	1	4.48905	-21.2503	-6.63254	HAL2	7287	0	0	0	0.09	
-7289	H10	SLES	1	6.19352	-20.9376	-6.13843	HAL2	7287	0	0	0	0.09	
-7290	C11	SLES	1	5.54765	-19.8208	-7.90257	CTL2	7287	7291	7292	7293	-0.18	
-7291	H11	SLES	1	4.87093	-19.9784	-8.77337	HAL2	7290	0	0	0	0.09	
-7292	H11	SLES	1	6.57984	-19.6777	-8.29633	HAL2	7290	0	0	0	0.09	
-7293	C12	SLES	1	5.11321	-18.5311	-7.15918	CTL3	7290	7294	7295	7296	-0.27	
-7294	H12	SLES	1	4.22682	-18.0786	-7.65605	HAL3	7293	0	0	0	0.09	
-7295	H12	SLES	1	5.93959	-17.7865	-7.16178	HAL3	7293	0	0	0	0.09	
-7296	H12	SLES	1	4.84836	-18.7628	-6.10452	HAL3	7293	0	0	0	0.09	
-7297	NA	SLES	1	-1.39251	-41.2175	-15.8512	NA	0	0	0	0	1	
-7298	S	SLES	1	-3.31518	-40.7776	-12.7755	SL	7299	7300	7301	7302	1.33	
-7299	OS1	SLES	1	-2.38732	-39.5801	-13.4913	OSL	7298	7303	0	0	-0.28	
-7300	OS2	SLES	1	-4.28055	-41.1959	-13.7707	O2L	7298	0	0	0	-0.65	
-7301	OS3	SLES	1	-2.40854	-41.8673	-12.4805	O2L	7298	0	0	0	-0.65	
-7302	OS4	SLES	1	-4.00206	-40.3635	-11.5625	O2L	7298	0	0	0	-0.65	
-7303	C2	SLES	1	-2.62897	-38.2707	-12.8224	CC32A	7299	7304	7305	7306	-0.11	
-7304	H2A	SLES	1	-3.72582	-38.0177	-12.8293	HCA2	7303	0	0	0	0.09	
-7305	H2B	SLES	1	-2.27892	-38.3447	-11.7555	HCA2	7303	0	0	0	0.09	
-7306	C1	SLES	1	-1.80579	-37.1268	-13.5837	CC32A	7303	7307	7308	7309	-0.01	
-7307	H1B	SLES	1	-2.0874	-37.1108	-14.6618	HCA2	7306	0	0	0	0.09	
-7308	H1A	SLES	1	-0.712117	-37.3273	-13.501	HCA2	7306	0	0	0	0.09	
-7309	O1	SLES	1	-1.95067	-35.7149	-13.1791	OC30A	7306	7310	0	0	-0.34	
-7310	C2	SLES	1	-2.51008	-35.4725	-11.8711	CC32A	7309	7311	7312	7313	-0.01	
-7311	H2A	SLES	1	-3.51131	-35.9368	-11.9646	HCA2	7310	0	0	0	0.09	
-7312	H2B	SLES	1	-1.87703	-36.1134	-11.2171	HCA2	7310	0	0	0	0.09	
-7313	C1	SLES	1	-2.65223	-34.0536	-11.2355	CC32A	7310	7314	7315	7316	-0.01	
-7314	H1B	SLES	1	-3.64485	-33.6246	-11.4938	HCA2	7313	0	0	0	0.09	
-7315	H1A	SLES	1	-2.57769	-34.1375	-10.1328	HCA2	7313	0	0	0	0.09	
-7316	O1	SLES	1	-1.78944	-32.9251	-11.5887	OC30A	7313	7317	0	0	-0.34	
-7317	C1	SLES	1	-1.57348	-31.9438	-10.5096	CTL2	7316	7318	7319	7320	-0.18	
-7318	H11	SLES	1	-2.2837	-32.1889	-9.69927	HAL2	7317	0	0	0	0.09	
-7319	H12	SLES	1	-0.548705	-32.2091	-10.1769	HAL2	7317	0	0	0	0.09	
-7320	C2	SLES	1	-1.64883	-30.3988	-10.8313	CTL2	7317	7321	7322	7323	-0.18	
-7321	H21	SLES	1	-1.91141	-30.2622	-11.9042	HAL2	7320	0	0	0	0.09	
-7322	H22	SLES	1	-0.647377	-29.9454	-10.6635	HAL2	7320	0	0	0	0.09	
-7323	C3	SLES	1	-2.73167	-29.6339	-9.92525	CTL2	7320	7324	7325	7326	-0.18	
-7324	H31	SLES	1	-3.63596	-29.4275	-10.54	HAL2	7323	0	0	0	0.09	
-7325	H32	SLES	1	-3.0334	-30.2943	-9.08798	HAL2	7323	0	0	0	0.09	
-7326	C4	SLES	1	-2.18982	-28.2673	-9.33285	CTL2	7323	7327	7328	7329	-0.18	
-7327	H41	SLES	1	-2.60418	-27.4275	-9.92888	HAL2	7326	0	0	0	0.09	
-7328	H42	SLES	1	-1.08292	-28.2415	-9.42845	HAL2	7326	0	0	0	0.09	
-7329	C5	SLES	1	-2.58241	-28.0635	-7.80016	CTL2	7326	7330	7331	7332	-0.18	
-7330	H51	SLES	1	-3.4208	-28.749	-7.54584	HAL2	7329	0	0	0	0.09	
-7331	H52	SLES	1	-1.71083	-28.3378	-7.16296	HAL2	7329	0	0	0	0.09	
-7332	C6	SLES	1	-3.01423	-26.5854	-7.46851	CTL2	7329	7333	7334	7335	-0.18	
-7333	H61	SLES	1	-4.01595	-26.3915	-7.91352	HAL2	7332	0	0	0	0.09	
-7334	H62	SLES	1	-3.10271	-26.4735	-6.36257	HAL2	7332	0	0	0	0.09	
-7335	C7	SLES	1	-2.00352	-25.5241	-8.00739	CTL2	7332	7336	7337	7338	-0.18	
-7336	H71	SLES	1	-2.20268	-25.3493	-9.08792	HAL2	7335	0	0	0	0.09	
-7337	H72	SLES	1	-0.96948	-25.9233	-7.90884	HAL2	7335	0	0	0	0.09	
-7338	C8	SLES	1	-2.09735	-24.174	-7.25369	CTL2	7335	7339	7340	7341	-0.18	
-7339	H81	SLES	1	-3.16901	-23.8853	-7.15573	HAL2	7338	0	0	0	0.09	
-7340	H82	SLES	1	-1.67974	-24.2996	-6.22878	HAL2	7338	0	0	0	0.09	
-7341	C9	SLES	1	-1.33122	-23.038	-7.97687	CTL2	7338	7342	7343	7344	-0.18	
-7342	H91	SLES	1	-1.72944	-22.933	-9.01163	HAL2	7341	0	0	0	0.09	
-7343	H92	SLES	1	-0.255333	-23.315	-8.04945	HAL2	7341	0	0	0	0.09	
-7344	C10	SLES	1	-1.45436	-21.6786	-7.24885	CTL2	7341	7345	7346	7347	-0.18	
-7345	H10	SLES	1	-2.52897	-21.39	-7.19676	HAL2	7344	0	0	0	0.09	
-7346	H10	SLES	1	-1.07681	-21.7884	-6.20701	HAL2	7344	0	0	0	0.09	
-7347	C11	SLES	1	-0.660624	-20.5501	-7.95912	CTL2	7344	7348	7349	7350	-0.18	
-7348	H11	SLES	1	-1.04653	-20.4394	-8.99833	HAL2	7347	0	0	0	0.09	
-7349	H11	SLES	1	0.409878	-20.8511	-8.02479	HAL2	7347	0	0	0	0.09	
-7350	C12	SLES	1	-0.750615	-19.1772	-7.24385	CTL3	7347	7351	7352	7353	-0.27	
-7351	H12	SLES	1	-1.18938	-18.4147	-7.92465	HAL3	7350	0	0	0	0.09	
-7352	H12	SLES	1	0.261736	-18.8355	-6.93448	HAL3	7350	0	0	0	0.09	
-7353	H12	SLES	1	-1.39086	-19.2538	-6.33812	HAL3	7350	0	0	0	0.09	
-7354	NA	SLES	1	-13.9282	-38.8491	-15.7746	NA	0	0	0	0	1	
-7355	S	SLES	1	-16.2652	-37.3133	-13.423	SL	7356	7357	7358	7359	1.33	
-7356	OS1	SLES	1	-14.7651	-36.6794	-13.817	OSL	7355	7360	0	0	-0.28	
-7357	OS2	SLES	1	-16.9986	-37.43	-14.6663	O2L	7355	0	0	0	-0.65	
-7358	OS3	SLES	1	-16.0146	-38.6294	-12.8739	O2L	7355	0	0	0	-0.65	
-7359	OS4	SLES	1	-17.025	-36.5171	-12.4726	O2L	7355	0	0	0	-0.65	
-7360	C2	SLES	1	-14.6162	-35.3116	-13.2449	CC32A	7356	7361	7362	7363	-0.11	
-7361	H2A	SLES	1	-15.4591	-34.6462	-13.5822	HCA2	7360	0	0	0	0.09	
-7362	H2B	SLES	1	-14.6402	-35.3894	-12.1225	HCA2	7360	0	0	0	0.09	
-7363	C1	SLES	1	-13.2164	-34.6903	-13.7143	CC32A	7360	7364	7365	7366	-0.01	
-7364	H1B	SLES	1	-13.1541	-34.6939	-14.8269	HCA2	7363	0	0	0	0.09	
-7365	H1A	SLES	1	-12.3754	-35.2976	-13.3055	HCA2	7363	0	0	0	0.09	
-7366	O1	SLES	1	-12.8676	-33.2998	-13.3642	OC30A	7363	7367	0	0	-0.34	
-7367	C2	SLES	1	-13.6148	-32.6989	-12.2856	CC32A	7366	7368	7369	7370	-0.01	
-7368	H2A	SLES	1	-14.649	-32.7345	-12.6807	HCA2	7367	0	0	0	0.09	
-7369	H2B	SLES	1	-13.5145	-33.4548	-11.4744	HCA2	7367	0	0	0	0.09	
-7370	C1	SLES	1	-13.325	-31.2752	-11.7144	CC32A	7367	7371	7372	7373	-0.01	
-7371	H1B	SLES	1	-13.9347	-30.5214	-12.2586	HCA2	7370	0	0	0	0.09	
-7372	H1A	SLES	1	-13.6017	-31.2481	-10.6414	HCA2	7370	0	0	0	0.09	
-7373	O1	SLES	1	-12.0106	-30.6344	-11.783	OC30A	7370	7374	0	0	-0.34	
-7374	C1	SLES	1	-11.7157	-29.6975	-10.6833	CTL2	7373	7375	7376	7377	-0.18	
-7375	H11	SLES	1	-12.6578	-29.5403	-10.1276	HAL2	7374	0	0	0	0.09	
-7376	H12	SLES	1	-11.0308	-30.3062	-10.0575	HAL2	7374	0	0	0	0.09	
-7377	C2	SLES	1	-11.0496	-28.3011	-11.0035	CTL2	7374	7378	7379	7380	-0.18	
-7378	H21	SLES	1	-10.9222	-28.2019	-12.1047	HAL2	7377	0	0	0	0.09	
-7379	H22	SLES	1	-10.0405	-28.2667	-10.5376	HAL2	7377	0	0	0	0.09	
-7380	C3	SLES	1	-11.9214	-27.0655	-10.4633	CTL2	7377	7381	7382	7383	-0.18	
-7381	H31	SLES	1	-12.4481	-26.5923	-11.3218	HAL2	7380	0	0	0	0.09	
-7382	H32	SLES	1	-12.6898	-27.4452	-9.76073	HAL2	7380	0	0	0	0.09	
-7383	C4	SLES	1	-11.0489	-25.9664	-9.72651	CTL2	7380	7384	7385	7386	-0.18	
-7384	H41	SLES	1	-10.8932	-25.1098	-10.415	HAL2	7383	0	0	0	0.09	
-7385	H42	SLES	1	-10.0529	-26.3946	-9.48226	HAL2	7383	0	0	0	0.09	
-7386	C5	SLES	1	-11.73	-25.44	-8.3835	CTL2	7383	7387	7388	7389	-0.18	
-7387	H51	SLES	1	-12.8117	-25.6995	-8.39912	HAL2	7386	0	0	0	0.09	
-7388	H52	SLES	1	-11.2662	-25.9592	-7.51392	HAL2	7386	0	0	0	0.09	
-7389	C6	SLES	1	-11.582	-23.8838	-8.18937	CTL2	7386	7390	7391	7392	-0.18	
-7390	H61	SLES	1	-12.2454	-23.3628	-8.91567	HAL2	7389	0	0	0	0.09	
-7391	H62	SLES	1	-11.9194	-23.6134	-7.1615	HAL2	7389	0	0	0	0.09	
-7392	C7	SLES	1	-10.1159	-23.3854	-8.39051	CTL2	7389	7393	7394	7395	-0.18	
-7393	H71	SLES	1	-9.91561	-23.2776	-9.47955	HAL2	7392	0	0	0	0.09	
-7394	H72	SLES	1	-9.41358	-24.1478	-7.98583	HAL2	7392	0	0	0	0.09	
-7395	C8	SLES	1	-9.84564	-22.0292	-7.69256	CTL2	7392	7396	7397	7398	-0.18	
-7396	H81	SLES	1	-10.6811	-21.3286	-7.92202	HAL2	7395	0	0	0	0.09	
-7397	H82	SLES	1	-9.82089	-22.1859	-6.59008	HAL2	7395	0	0	0	0.09	
-7398	C9	SLES	1	-8.50917	-21.3879	-8.14297	CTL2	7395	7399	7400	7401	-0.18	
-7399	H91	SLES	1	-8.52294	-21.2588	-9.24908	HAL2	7398	0	0	0	0.09	
-7400	H92	SLES	1	-7.67223	-22.0763	-7.88797	HAL2	7398	0	0	0	0.09	
-7401	C10	SLES	1	-8.25322	-20.0145	-7.47831	CTL2	7398	7402	7403	7404	-0.18	
-7402	H10	SLES	1	-9.07851	-19.3184	-7.75238	HAL2	7401	0	0	0	0.09	
-7403	H10	SLES	1	-8.26133	-20.1389	-6.37174	HAL2	7401	0	0	0	0.09	
-7404	C11	SLES	1	-6.89953	-19.3894	-7.9081	CTL2	7401	7405	7406	7407	-0.18	
-7405	H11	SLES	1	-6.89907	-19.2607	-9.01469	HAL2	7404	0	0	0	0.09	
-7406	H11	SLES	1	-6.07919	-20.0968	-7.6483	HAL2	7404	0	0	0	0.09	
-7407	C12	SLES	1	-6.60575	-18.0185	-7.24548	CTL3	7404	7408	7409	7410	-0.27	
-7408	H12	SLES	1	-6.47983	-17.2327	-8.02261	HAL3	7407	0	0	0	0.09	
-7409	H12	SLES	1	-5.67289	-18.073	-6.64202	HAL3	7407	0	0	0	0.09	
-7410	H12	SLES	1	-7.44374	-17.7243	-6.57665	HAL3	7407	0	0	0	0.09	
-7411	NA	SLES	1	-25.3824	-32.6493	-15.5513	NA	0	0	0	0	1	
-7412	S	SLES	1	-27.2902	-29.8797	-14.123	SL	7413	7414	7415	7416	1.33	
-7413	OS1	SLES	1	-25.6175	-29.9765	-14.1228	OSL	7412	7417	0	0	-0.28	
-7414	OS2	SLES	1	-27.7032	-29.9508	-15.5093	O2L	7412	0	0	0	-0.65	
-7415	OS3	SLES	1	-27.7613	-31.0477	-13.4085	O2L	7412	0	0	0	-0.65	
-7416	OS4	SLES	1	-27.8243	-28.675	-13.5083	O2L	7412	0	0	0	-0.65	
-7417	C2	SLES	1	-25.0261	-28.6902	-13.6578	CC32A	7413	7418	7419	7420	-0.11	
-7418	H2A	SLES	1	-25.4007	-27.8321	-14.2827	HCA2	7417	0	0	0	0.09	
-7419	H2B	SLES	1	-25.3319	-28.5226	-12.588	HCA2	7417	0	0	0	0.09	
-7420	C1	SLES	1	-23.4296	-28.7744	-13.7573	CC32A	7417	7421	7422	7423	-0.01	
-7421	H1B	SLES	1	-23.1275	-29.028	-14.7995	HCA2	7420	0	0	0	0.09	
-7422	H1A	SLES	1	-23.0477	-29.565	-13.07	HCA2	7420	0	0	0	0.09	
-7423	O1	SLES	1	-22.604	-27.5908	-13.4483	OC30A	7420	7424	0	0	-0.34	
-7424	C2	SLES	1	-23.2398	-26.5404	-12.6902	CC32A	7423	7425	7426	7427	-0.01	
-7425	H2A	SLES	1	-24.0707	-26.2487	-13.362	HCA2	7424	0	0	0	0.09	
-7426	H2B	SLES	1	-23.6595	-27.0933	-11.8198	HCA2	7424	0	0	0	0.09	
-7427	C1	SLES	1	-22.5009	-25.2591	-12.1905	CC32A	7424	7428	7429	7430	-0.01	
-7428	H1B	SLES	1	-22.5872	-24.4548	-12.9532	HCA2	7427	0	0	0	0.09	
-7429	H1A	SLES	1	-22.9714	-24.9086	-11.2501	HCA2	7427	0	0	0	0.09	
-7430	O1	SLES	1	-21.0605	-25.2109	-11.9343	OC30A	7427	7431	0	0	-0.34	
-7431	C1	SLES	1	-20.6452	-24.2614	-10.8855	CTL2	7430	7432	7433	7434	-0.18	
-7432	H11	SLES	1	-21.5255	-23.6393	-10.6419	HAL2	7431	0	0	0	0.09	
-7433	H12	SLES	1	-20.449	-24.9482	-10.0363	HAL2	7431	0	0	0	0.09	
-7434	C2	SLES	1	-19.3896	-23.3327	-11.1244	CTL2	7431	7435	7436	7437	-0.18	
-7435	H21	SLES	1	-18.9888	-23.5172	-12.1462	HAL2	7434	0	0	0	0.09	
-7436	H22	SLES	1	-18.5969	-23.6012	-10.3921	HAL2	7434	0	0	0	0.09	
-7437	C3	SLES	1	-19.7402	-21.7731	-10.9727	CTL2	7434	7438	7439	7440	-0.18	
-7438	H31	SLES	1	-19.8044	-21.317	-11.9857	HAL2	7437	0	0	0	0.09	
-7439	H32	SLES	1	-20.7329	-21.6711	-10.4905	HAL2	7437	0	0	0	0.09	
-7440	C4	SLES	1	-18.6689	-20.9772	-10.1176	CTL2	7437	7441	7442	7443	-0.18	
-7441	H41	SLES	1	-18.0095	-20.4087	-10.8063	HAL2	7440	0	0	0	0.09	
-7442	H42	SLES	1	-18.0374	-21.701	-9.55868	HAL2	7440	0	0	0	0.09	
-7443	C5	SLES	1	-19.3383	-19.9656	-9.08166	CTL2	7440	7444	7445	7446	-0.18	
-7444	H51	SLES	1	-20.3921	-19.7793	-9.38537	HAL2	7443	0	0	0	0.09	
-7445	H52	SLES	1	-19.3513	-20.4362	-8.07205	HAL2	7443	0	0	0	0.09	
-7446	C6	SLES	1	-18.5819	-18.5866	-8.9943	CTL2	7443	7447	7448	7449	-0.18	
-7447	H61	SLES	1	-18.7747	-18.0074	-9.92511	HAL2	7446	0	0	0	0.09	
-7448	H62	SLES	1	-18.9905	-18.0032	-8.13637	HAL2	7446	0	0	0	0.09	
-7449	C7	SLES	1	-17.0404	-18.7525	-8.80777	CTL2	7446	7450	7451	7452	-0.18	
-7450	H71	SLES	1	-16.575	-18.9553	-9.79771	HAL2	7449	0	0	0	0.09	
-7451	H72	SLES	1	-16.8456	-19.6291	-8.15051	HAL2	7449	0	0	0	0.09	
-7452	C8	SLES	1	-16.3761	-17.4985	-8.18685	CTL2	7449	7453	7454	7455	-0.18	
-7453	H81	SLES	1	-16.7532	-16.5898	-8.70994	HAL2	7452	0	0	0	0.09	
-7454	H82	SLES	1	-16.6689	-17.4247	-7.11472	HAL2	7452	0	0	0	0.09	
-7455	C9	SLES	1	-14.8306	-17.5361	-8.28823	CTL2	7452	7456	7457	7458	-0.18	
-7456	H91	SLES	1	-14.5393	-17.6396	-9.35816	HAL2	7455	0	0	0	0.09	
-7457	H92	SLES	1	-14.4527	-18.4293	-7.74146	HAL2	7455	0	0	0	0.09	
-7458	C10	SLES	1	-14.1639	-16.2678	-7.70472	CTL2	7455	7459	7460	7461	-0.18	
-7459	H10	SLES	1	-14.524	-15.3762	-8.267	HAL2	7458	0	0	0	0.09	
-7460	H10	SLES	1	-14.4724	-16.1514	-6.6411	HAL2	7458	0	0	0	0.09	
-7461	C11	SLES	1	-12.6149	-16.3225	-7.78001	CTL2	7458	7462	7463	7464	-0.18	
-7462	H11	SLES	1	-12.3113	-16.4321	-8.84626	HAL2	7461	0	0	0	0.09	
-7463	H11	SLES	1	-12.2608	-17.2253	-7.23174	HAL2	7461	0	0	0	0.09	
-7464	C12	SLES	1	-11.9159	-15.0717	-7.18731	CTL3	7461	7465	7466	7467	-0.27	
-7465	H12	SLES	1	-11.2931	-14.5732	-7.9626	HAL3	7464	0	0	0	0.09	
-7466	H12	SLES	1	-11.259	-15.3622	-6.33791	HAL3	7464	0	0	0	0.09	
-7467	H12	SLES	1	-12.6714	-14.3444	-6.81825	HAL3	7464	0	0	0	0.09	
-7468	NA	SLES	1	-34.5402	-22.942	-15.2554	NA	0	0	0	0	1	
-7469	S	SLES	1	-35.2282	-19.3764	-14.8508	SL	7470	7471	7472	7473	1.33	
-7470	OS1	SLES	1	-33.7869	-20.1168	-14.4242	OSL	7469	7474	0	0	-0.28	
-7471	OS2	SLES	1	-35.4228	-19.6435	-16.2608	O2L	7469	0	0	0	-0.65	
-7472	OS3	SLES	1	-36.2621	-20.0325	-14.0782	O2L	7469	0	0	0	-0.65	
-7473	OS4	SLES	1	-35.264	-17.943	-14.6087	O2L	7469	0	0	0	-0.65	
-7474	C2	SLES	1	-32.767	-19.0919	-14.064	CC32A	7470	7475	7476	7477	-0.11	
-7475	H2A	SLES	1	-32.6319	-18.354	-14.9032	HCA2	7474	0	0	0	0.09	
-7476	H2B	SLES	1	-33.1213	-18.5417	-13.1486	HCA2	7474	0	0	0	0.09	
-7477	C1	SLES	1	-31.3732	-19.8177	-13.7533	CC32A	7474	7478	7479	7480	-0.01	
-7478	H1B	SLES	1	-31.0639	-20.4349	-14.628	HCA2	7477	0	0	0	0.09	
-7479	H1A	SLES	1	-31.4813	-20.4826	-12.8647	HCA2	7477	0	0	0	0.09	
-7480	O1	SLES	1	-30.1677	-19.0164	-13.4663	OC30A	7477	7481	0	0	-0.34	
-7481	C2	SLES	1	-30.3824	-17.6412	-13.085	CC32A	7480	7482	7483	7484	-0.01	
-7482	H2A	SLES	1	-30.8933	-17.2362	-13.9805	HCA2	7481	0	0	0	0.09	
-7483	H2B	SLES	1	-31.1242	-17.7342	-12.2601	HCA2	7481	0	0	0	0.09	
-7484	C1	SLES	1	-29.2388	-16.6694	-12.6548	CC32A	7481	7485	7486	7487	-0.01	
-7485	H1B	SLES	1	-28.8516	-16.1282	-13.5454	HCA2	7484	0	0	0	0.09	
-7486	H1A	SLES	1	-29.6402	-15.9278	-11.9354	HCA2	7484	0	0	0	0.09	
-7487	O1	SLES	1	-27.9776	-17.1234	-12.0666	OC30A	7484	7488	0	0	-0.34	
-7488	C1	SLES	1	-27.3468	-16.1721	-11.1333	CTL2	7487	7489	7490	7491	-0.18	
-7489	H11	SLES	1	-27.8907	-15.2147	-11.2266	HAL2	7488	0	0	0	0.09	
-7490	H12	SLES	1	-27.5978	-16.6299	-10.1542	HAL2	7488	0	0	0	0.09	
-7491	C2	SLES	1	-25.7913	-15.9086	-11.2182	CTL2	7488	7492	7493	7494	-0.18	
-7492	H21	SLES	1	-25.3672	-16.4981	-12.0616	HAL2	7491	0	0	0	0.09	
-7493	H22	SLES	1	-25.313	-16.2622	-10.2787	HAL2	7491	0	0	0	0.09	
-7494	C3	SLES	1	-25.4413	-14.3565	-11.4355	CTL2	7491	7495	7496	7497	-0.18	
-7495	H31	SLES	1	-25.1503	-14.1971	-12.4977	HAL2	7494	0	0	0	0.09	
-7496	H32	SLES	1	-26.3477	-13.7505	-11.2367	HAL2	7494	0	0	0	0.09	
-7497	C4	SLES	1	-24.2676	-13.8488	-10.4992	CTL2	7494	7498	7499	7500	-0.18	
-7498	H41	SLES	1	-23.333	-13.788	-11.095	HAL2	7497	0	0	0	0.09	
-7499	H42	SLES	1	-24.1063	-14.5864	-9.68369	HAL2	7497	0	0	0	0.09	
-7500	C5	SLES	1	-24.5698	-12.4213	-9.8544	CTL2	7497	7501	7502	7503	-0.18	
-7501	H51	SLES	1	-25.3784	-11.9246	-10.4347	HAL2	7500	0	0	0	0.09	
-7502	H52	SLES	1	-24.9351	-12.5643	-8.81179	HAL2	7500	0	0	0	0.09	
-7503	C6	SLES	1	-23.3075	-11.4792	-9.83015	CTL2	7500	7504	7505	7506	-0.18	
-7504	H61	SLES	1	-23.0887	-11.1391	-10.8672	HAL2	7503	0	0	0	0.09	
-7505	H62	SLES	1	-23.5399	-10.5783	-9.21554	HAL2	7503	0	0	0	0.09	
-7506	C7	SLES	1	-22.0403	-12.1799	-9.24586	CTL2	7503	7507	7508	7509	-0.18	
-7507	H71	SLES	1	-21.5714	-12.8025	-10.0398	HAL2	7506	0	0	0	0.09	
-7508	H72	SLES	1	-22.3476	-12.8552	-8.41645	HAL2	7506	0	0	0	0.09	
-7509	C8	SLES	1	-20.9925	-11.1708	-8.7134	CTL2	7506	7510	7511	7512	-0.18	
-7510	H81	SLES	1	-20.8525	-10.3605	-9.46516	HAL2	7509	0	0	0	0.09	
-7511	H82	SLES	1	-21.3768	-10.7079	-7.77601	HAL2	7509	0	0	0	0.09	
-7512	C9	SLES	1	-19.6233	-11.8361	-8.42527	CTL2	7509	7513	7514	7515	-0.18	
-7513	H91	SLES	1	-19.2538	-12.3241	-9.35566	HAL2	7512	0	0	0	0.09	
-7514	H92	SLES	1	-19.7594	-12.6269	-7.65347	HAL2	7512	0	0	0	0.09	
-7515	C10	SLES	1	-18.5618	-10.8253	-7.93043	CTL2	7512	7516	7517	7518	-0.18	
-7516	H10	SLES	1	-18.4085	-10.047	-8.71239	HAL2	7515	0	0	0	0.09	
-7517	H10	SLES	1	-18.9401	-10.3209	-7.01254	HAL2	7515	0	0	0	0.09	
-7518	C11	SLES	1	-17.2009	-11.5001	-7.61357	CTL2	7515	7519	7520	7521	-0.18	
-7519	H11	SLES	1	-16.8235	-11.9973	-8.53636	HAL2	7518	0	0	0	0.09	
-7520	H11	SLES	1	-17.3624	-12.2896	-6.84446	HAL2	7518	0	0	0	0.09	
-7521	C12	SLES	1	-16.1196	-10.515	-7.09892	CTL3	7518	7522	7523	7524	-0.27	
-7522	H12	SLES	1	-15.2355	-10.5244	-7.77391	HAL3	7521	0	0	0	0.09	
-7523	H12	SLES	1	-15.7885	-10.8039	-6.07706	HAL3	7521	0	0	0	0.09	
-7524	H12	SLES	1	-16.5252	-9.48046	-7.0607	HAL3	7521	0	0	0	0.09	
-7525	NA	SLES	1	-40.2227	-10.4953	-14.9688	NA	0	0	0	0	1	
-7526	S	SLES	1	-39.3088	-7.01052	-15.5784	SL	7527	7528	7529	7530	1.33	
-7527	OS1	SLES	1	-38.359	-8.10512	-14.7375	OSL	7526	7531	0	0	-0.28	
-7528	OS2	SLES	1	-39.5253	-7.58205	-16.8914	O2L	7526	0	0	0	-0.65	
-7529	OS3	SLES	1	-40.5647	-6.93331	-14.8619	O2L	7526	0	0	0	-0.65	
-7530	OS4	SLES	1	-38.7293	-5.68293	-15.7055	O2L	7526	0	0	0	-0.65	
-7531	C2	SLES	1	-37.0151	-7.52115	-14.4668	CC32A	7527	7532	7533	7534	-0.11	
-7532	H2A	SLES	1	-36.5277	-7.18553	-15.4243	HCA2	7531	0	0	0	0.09	
-7533	H2B	SLES	1	-37.1423	-6.6304	-13.791	HCA2	7531	0	0	0	0.09	
-7534	C1	SLES	1	-36.0955	-8.61837	-13.7482	CC32A	7531	7535	7536	7537	-0.01	
-7535	H1B	SLES	1	-36.0401	-9.53695	-14.3767	HCA2	7534	0	0	0	0.09	
-7536	H1A	SLES	1	-36.5293	-8.88691	-12.7569	HCA2	7534	0	0	0	0.09	
-7537	O1	SLES	1	-34.6783	-8.3244	-13.46	OC30A	7534	7538	0	0	-0.34	
-7538	C2	SLES	1	-34.2923	-6.93391	-13.4715	CC32A	7537	7539	7540	7541	-0.01	
-7539	H2A	SLES	1	-34.5274	-6.64331	-14.5141	HCA2	7538	0	0	0	0.09	
-7540	H2B	SLES	1	-35.043	-6.47109	-12.7921	HCA2	7538	0	0	0	0.09	
-7541	C1	SLES	1	-32.8641	-6.4248	-13.0993	CC32A	7538	7542	7543	7544	-0.01	
-7542	H1B	SLES	1	-32.2331	-6.37631	-14.0134	HCA2	7541	0	0	0	0.09	
-7543	H1A	SLES	1	-32.9398	-5.40753	-12.6657	HCA2	7541	0	0	0	0.09	
-7544	O1	SLES	1	-31.9599	-7.15104	-12.2061	OC30A	7541	7545	0	0	-0.34	
-7545	C1	SLES	1	-31.0281	-6.30406	-11.4391	CTL2	7544	7546	7547	7548	-0.18	
-7546	H11	SLES	1	-31.0947	-5.28374	-11.8582	HAL2	7545	0	0	0	0.09	
-7547	H12	SLES	1	-31.5049	-6.30892	-10.4372	HAL2	7545	0	0	0	0.09	
-7548	C2	SLES	1	-29.5111	-6.72699	-11.3122	CTL2	7545	7549	7550	7551	-0.18	
-7549	H21	SLES	1	-29.3422	-7.65854	-11.8974	HAL2	7548	0	0	0	0.09	
-7550	H22	SLES	1	-29.2852	-6.94689	-10.2458	HAL2	7548	0	0	0	0.09	
-7551	C3	SLES	1	-28.5089	-5.58827	-11.8388	CTL2	7548	7552	7553	7554	-0.18	
-7552	H31	SLES	1	-28.1216	-5.88251	-12.8397	HAL2	7551	0	0	0	0.09	
-7553	H32	SLES	1	-29.0697	-4.63971	-11.9568	HAL2	7551	0	0	0	0.09	
-7554	C4	SLES	1	-27.2826	-5.34307	-10.8649	CTL2	7551	7555	7556	7557	-0.18	
-7555	H41	SLES	1	-26.3848	-5.84332	-11.2842	HAL2	7554	0	0	0	0.09	
-7556	H42	SLES	1	-27.5023	-5.80469	-9.87819	HAL2	7554	0	0	0	0.09	
-7557	C5	SLES	1	-26.9664	-3.79388	-10.6534	CTL2	7554	7558	7559	7560	-0.18	
-7558	H51	SLES	1	-27.4458	-3.21053	-11.4702	HAL2	7557	0	0	0	0.09	
-7559	H52	SLES	1	-27.4122	-3.46123	-9.6882	HAL2	7557	0	0	0	0.09	
-7560	C6	SLES	1	-25.423	-3.47877	-10.6402	CTL2	7557	7561	7562	7563	-0.18	
-7561	H61	SLES	1	-25.0232	-3.58011	-11.6741	HAL2	7560	0	0	0	0.09	
-7562	H62	SLES	1	-25.2719	-2.42261	-10.316	HAL2	7560	0	0	0	0.09	
-7563	C7	SLES	1	-24.6206	-4.42214	-9.68917	CTL2	7560	7564	7565	7566	-0.18	
-7564	H71	SLES	1	-24.4285	-5.3856	-10.2113	HAL2	7563	0	0	0	0.09	
-7565	H72	SLES	1	-25.2349	-4.63706	-8.78652	HAL2	7563	0	0	0	0.09	
-7566	C8	SLES	1	-23.2677	-3.81189	-9.24547	CTL2	7563	7567	7568	7569	-0.18	
-7567	H81	SLES	1	-22.749	-3.38964	-10.1365	HAL2	7566	0	0	0	0.09	
-7568	H82	SLES	1	-23.461	-2.97817	-8.5326	HAL2	7566	0	0	0	0.09	
-7569	C9	SLES	1	-22.3426	-4.85354	-8.56762	CTL2	7566	7570	7571	7572	-0.18	
-7570	H91	SLES	1	-22.1739	-5.70101	-9.27023	HAL2	7569	0	0	0	0.09	
-7571	H92	SLES	1	-22.8504	-5.25451	-7.66156	HAL2	7569	0	0	0	0.09	
-7572	C10	SLES	1	-20.9747	-4.25848	-8.15781	CTL2	7569	7573	7574	7575	-0.18	
-7573	H10	SLES	1	-20.4563	-3.87826	-9.06748	HAL2	7572	0	0	0	0.09	
-7574	H10	SLES	1	-21.1434	-3.39701	-7.47267	HAL2	7572	0	0	0	0.09	
-7575	C11	SLES	1	-20.0626	-5.29653	-7.45167	CTL2	7572	7576	7577	7578	-0.18	
-7576	H11	SLES	1	-19.8913	-6.15282	-8.14342	HAL2	7575	0	0	0	0.09	
-7577	H11	SLES	1	-20.5926	-5.68695	-6.55295	HAL2	7575	0	0	0	0.09	
-7578	C12	SLES	1	-18.6891	-4.72577	-7.01322	CTL3	7575	7579	7580	7581	-0.27	
-7579	H12	SLES	1	-17.863	-5.29005	-7.49958	HAL3	7578	0	0	0	0.09	
-7580	H12	SLES	1	-18.5716	-4.80595	-5.90999	HAL3	7578	0	0	0	0.09	
-7581	H12	SLES	1	-18.6048	-3.65534	-7.30165	HAL3	7578	0	0	0	0.09	
-7582	NA	SLES	1	-41.4967	3.44489	-14.7729	NA	0	0	0	0	1	
-7583	S	SLES	1	-39.2125	5.86735	-16.2777	SL	7584	7585	7586	7587	1.33	
-7584	OS1	SLES	1	-38.7829	4.78005	-15.0775	OSL	7583	7588	0	0	-0.28	
-7585	OS2	SLES	1	-39.7122	5.07774	-17.3842	O2L	7583	0	0	0	-0.65	
-7586	OS3	SLES	1	-40.2811	6.67422	-15.7267	O2L	7583	0	0	0	-0.65	
-7587	OS4	SLES	1	-38.1286	6.72435	-16.7306	O2L	7583	0	0	0	-0.65	
-7588	C2	SLES	1	-37.3075	4.79675	-14.8698	CC32A	7584	7589	7590	7591	-0.11	
-7589	H2A	SLES	1	-36.7681	4.59492	-15.837	HCA2	7588	0	0	0	0.09	
-7590	H2B	SLES	1	-37.0113	5.81488	-14.4931	HCA2	7588	0	0	0	0.09	
-7591	C1	SLES	1	-36.912	3.68349	-13.7882	CC32A	7588	7592	7593	7594	-0.01	
-7592	H1B	SLES	1	-37.2827	2.68575	-14.1181	HCA2	7591	0	0	0	0.09	
-7593	H1A	SLES	1	-37.3729	3.9304	-12.8034	HCA2	7591	0	0	0	0.09	
-7594	O1	SLES	1	-35.4932	3.42598	-13.4739	OC30A	7591	7595	0	0	-0.34	
-7595	C2	SLES	1	-34.5519	4.45255	-13.8515	CC32A	7594	7596	7597	7598	-0.01	
-7596	H2A	SLES	1	-34.6882	4.49034	-14.9501	HCA2	7595	0	0	0	0.09	
-7597	H2B	SLES	1	-35.0013	5.3668	-13.4026	HCA2	7595	0	0	0	0.09	
-7598	C1	SLES	1	-33.0276	4.39985	-13.5182	CC32A	7595	7599	7600	7601	-0.01	
-7599	H1B	SLES	1	-32.4789	3.90447	-14.3486	HCA2	7598	0	0	0	0.09	
-7600	H1A	SLES	1	-32.642	5.43279	-13.4043	HCA2	7598	0	0	0	0.09	
-7601	O1	SLES	1	-32.4796	3.66305	-12.3782	OC30A	7598	7602	0	0	-0.34	
-7602	C1	SLES	1	-31.2414	4.22597	-11.8091	CTL2	7601	7603	7604	7605	-0.18	
-7603	H11	SLES	1	-30.8855	5.00406	-12.5084	HAL2	7602	0	0	0	0.09	
-7604	H12	SLES	1	-31.6282	4.72015	-10.8939	HAL2	7602	0	0	0	0.09	
-7605	C2	SLES	1	-30.0457	3.2639	-11.4334	CTL2	7602	7606	7607	7608	-0.18	
-7606	H21	SLES	1	-30.3174	2.22019	-11.7085	HAL2	7605	0	0	0	0.09	
-7607	H22	SLES	1	-29.8865	3.2977	-10.3334	HAL2	7605	0	0	0	0.09	
-7608	C3	SLES	1	-28.6789	3.66255	-12.1759	CTL2	7605	7609	7610	7611	-0.18	
-7609	H31	SLES	1	-28.5005	2.94989	-13.0117	HAL2	7608	0	0	0	0.09	
-7610	H32	SLES	1	-28.7862	4.6763	-12.6106	HAL2	7608	0	0	0	0.09	
-7611	C4	SLES	1	-27.4219	3.64738	-11.2104	CTL2	7608	7612	7613	7614	-0.18	
-7612	H41	SLES	1	-26.8436	2.71663	-11.3876	HAL2	7611	0	0	0	0.09	
-7613	H42	SLES	1	-27.7719	3.6374	-10.1557	HAL2	7611	0	0	0	0.09	
-7614	C5	SLES	1	-26.4656	4.90568	-11.4271	CTL2	7611	7615	7616	7617	-0.18	
-7615	H51	SLES	1	-26.6873	5.36422	-12.4161	HAL2	7614	0	0	0	0.09	
-7616	H52	SLES	1	-26.682	5.66524	-10.6415	HAL2	7614	0	0	0	0.09	
-7617	C6	SLES	1	-24.9365	4.53145	-11.3702	CTL2	7614	7618	7619	7620	-0.18	
-7618	H61	SLES	1	-24.6661	3.96908	-12.292	HAL2	7617	0	0	0	0.09	
-7619	H62	SLES	1	-24.3345	5.46992	-11.352	HAL2	7617	0	0	0	0.09	
-7620	C7	SLES	1	-24.5705	3.6685	-10.1214	CTL2	7617	7621	7622	7623	-0.18	
-7621	H71	SLES	1	-24.832	2.60647	-10.325	HAL2	7620	0	0	0	0.09	
-7622	H72	SLES	1	-25.1756	4.01078	-9.25248	HAL2	7620	0	0	0	0.09	
-7623	C8	SLES	1	-23.0678	3.7554	-9.75559	CTL2	7620	7624	7625	7626	-0.18	
-7624	H81	SLES	1	-22.46	3.63445	-10.6815	HAL2	7623	0	0	0	0.09	
-7625	H82	SLES	1	-22.8539	4.76342	-9.33278	HAL2	7623	0	0	0	0.09	
-7626	C9	SLES	1	-22.6454	2.67537	-8.72822	CTL2	7623	7627	7628	7629	-0.18	
-7627	H91	SLES	1	-22.8868	1.66892	-9.13944	HAL2	7626	0	0	0	0.09	
-7628	H92	SLES	1	-23.2335	2.81439	-7.79315	HAL2	7626	0	0	0	0.09	
-7629	C10	SLES	1	-21.1371	2.73283	-8.38905	CTL2	7626	7630	7631	7632	-0.18	
-7630	H10	SLES	1	-20.5484	2.57048	-9.32065	HAL2	7629	0	0	0	0.09	
-7631	H10	SLES	1	-20.8905	3.74611	-7.99853	HAL2	7629	0	0	0	0.09	
-7632	C11	SLES	1	-20.7237	1.6698	-7.33689	CTL2	7629	7633	7634	7635	-0.18	
-7633	H11	SLES	1	-20.966	0.657903	-7.73496	HAL2	7632	0	0	0	0.09	
-7634	H11	SLES	1	-21.3276	1.825	-6.4138	HAL2	7632	0	0	0	0.09	
-7635	C12	SLES	1	-19.2194	1.71261	-6.96291	CTL3	7632	7636	7637	7638	-0.27	
-7636	H12	SLES	1	-18.7363	0.73715	-7.19191	HAL3	7635	0	0	0	0.09	
-7637	H12	SLES	1	-19.0968	1.92268	-5.87747	HAL3	7635	0	0	0	0.09	
-7638	H12	SLES	1	-18.6998	2.50915	-7.53885	HAL3	7635	0	0	0	0.09	
-7639	NA	SLES	1	-37.9133	17.2455	-14.7395	NA	0	0	0	0	1	
-7640	S	SLES	1	-35.0632	17.9215	-16.9236	SL	7641	7642	7643	7644	1.33	
-7641	OS1	SLES	1	-34.962	17.119	-15.4562	OSL	7640	7645	0	0	-0.28	
-7642	OS2	SLES	1	-35.9955	17.1689	-17.7371	O2L	7640	0	0	0	-0.65	
-7643	OS3	SLES	1	-35.6103	19.2296	-16.6303	O2L	7640	0	0	0	-0.65	
-7644	OS4	SLES	1	-33.7959	18.0607	-17.6229	O2L	7640	0	0	0	-0.65	
-7645	C2	SLES	1	-33.6005	16.5408	-15.2769	CC32A	7641	7646	7647	7648	-0.11	
-7646	H2A	SLES	1	-33.3351	15.8735	-16.1438	HCA2	7645	0	0	0	0.09	
-7647	H2B	SLES	1	-32.8579	17.3847	-15.226	HCA2	7645	0	0	0	0.09	
-7648	C1	SLES	1	-33.5573	15.6994	-13.9145	CC32A	7645	7649	7650	7651	-0.01	
-7649	H1B	SLES	1	-34.3518	14.9181	-13.9261	HCA2	7648	0	0	0	0.09	
-7650	H1A	SLES	1	-33.7309	16.3755	-13.0452	HCA2	7648	0	0	0	0.09	
-7651	O1	SLES	1	-32.3459	14.9391	-13.5506	OC30A	7648	7652	0	0	-0.34	
-7652	C2	SLES	1	-31.1256	15.3064	-14.2278	CC32A	7651	7653	7654	7655	-0.01	
-7653	H2A	SLES	1	-31.3859	15.1065	-15.2857	HCA2	7652	0	0	0	0.09	
-7654	H2B	SLES	1	-31.0861	16.4077	-14.0701	HCA2	7652	0	0	0	0.09	
-7655	C1	SLES	1	-29.7315	14.6807	-13.9082	CC32A	7652	7656	7657	7658	-0.01	
-7656	H1B	SLES	1	-29.5609	13.7938	-14.5566	HCA2	7655	0	0	0	0.09	
-7657	H1A	SLES	1	-28.9392	15.4282	-14.1134	HCA2	7655	0	0	0	0.09	
-7658	O1	SLES	1	-29.3865	14.1109	-12.6047	OC30A	7655	7659	0	0	-0.34	
-7659	C1	SLES	1	-27.9601	14.2018	-12.2424	CTL2	7658	7660	7661	7662	-0.18	
-7660	H11	SLES	1	-27.4143	14.5273	-13.1465	HAL2	7659	0	0	0	0.09	
-7661	H12	SLES	1	-27.974	15.0391	-11.5144	HAL2	7659	0	0	0	0.09	
-7662	C2	SLES	1	-27.2339	12.9511	-11.6064	CTL2	7659	7663	7664	7665	-0.18	
-7663	H21	SLES	1	-27.9509	12.1015	-11.5527	HAL2	7662	0	0	0	0.09	
-7664	H22	SLES	1	-26.923	13.2028	-10.5688	HAL2	7662	0	0	0	0.09	
-7665	C3	SLES	1	-25.9437	12.4957	-12.4469	CTL2	7662	7666	7667	7668	-0.18	
-7666	H31	SLES	1	-26.197	11.5835	-13.0317	HAL2	7665	0	0	0	0.09	
-7667	H32	SLES	1	-25.6789	13.2972	-13.165	HAL2	7665	0	0	0	0.09	
-7668	C4	SLES	1	-24.6857	12.1876	-11.5332	CTL2	7665	7669	7670	7671	-0.18	
-7669	H41	SLES	1	-24.5784	11.0878	-11.428	HAL2	7668	0	0	0	0.09	
-7670	H42	SLES	1	-24.8569	12.6132	-10.521	HAL2	7668	0	0	0	0.09	
-7671	C5	SLES	1	-23.3331	12.79	-12.1266	CTL2	7668	7672	7673	7674	-0.18	
-7672	H51	SLES	1	-23.4797	13.0179	-13.2055	HAL2	7671	0	0	0	0.09	
-7673	H52	SLES	1	-23.1015	13.7458	-11.6035	HAL2	7671	0	0	0	0.09	
-7674	C6	SLES	1	-22.1071	11.8127	-11.9742	CTL2	7671	7675	7676	7677	-0.18	
-7675	H61	SLES	1	-22.2271	10.9662	-12.687	HAL2	7674	0	0	0	0.09	
-7676	H62	SLES	1	-21.1731	12.3587	-12.2442	HAL2	7674	0	0	0	0.09	
-7677	C7	SLES	1	-21.9629	11.2435	-10.5273	CTL2	7674	7678	7679	7680	-0.18	
-7678	H71	SLES	1	-22.6684	10.3927	-10.4001	HAL2	7677	0	0	0	0.09	
-7679	H72	SLES	1	-22.2426	12.034	-9.7957	HAL2	7677	0	0	0	0.09	
-7680	C8	SLES	1	-20.5255	10.7557	-10.2184	CTL2	7677	7681	7682	7683	-0.18	
-7681	H81	SLES	1	-20.1592	10.1388	-11.0709	HAL2	7680	0	0	0	0.09	
-7682	H82	SLES	1	-19.8546	11.6393	-10.1199	HAL2	7680	0	0	0	0.09	
-7683	C9	SLES	1	-20.452	9.91658	-8.91811	CTL2	7680	7684	7685	7686	-0.18	
-7684	H91	SLES	1	-21.1453	9.04946	-9.00581	HAL2	7683	0	0	0	0.09	
-7685	H92	SLES	1	-20.7917	10.5427	-8.06253	HAL2	7683	0	0	0	0.09	
-7686	C10	SLES	1	-19.0255	9.39391	-8.62587	CTL2	7683	7687	7688	7689	-0.18	
-7687	H10	SLES	1	-18.6945	8.74837	-9.47113	HAL2	7686	0	0	0	0.09	
-7688	H10	SLES	1	-18.3276	10.2591	-8.56	HAL2	7686	0	0	0	0.09	
-7689	C11	SLES	1	-18.9495	8.57995	-7.30691	CTL2	7686	7690	7691	7692	-0.18	
-7690	H11	SLES	1	-19.6441	7.71203	-7.38044	HAL2	7689	0	0	0	0.09	
-7691	H11	SLES	1	-19.2984	9.22379	-6.46747	HAL2	7689	0	0	0	0.09	
-7692	C12	SLES	1	-17.5279	8.05573	-6.97704	CTL3	7689	7693	7694	7695	-0.27	
-7693	H12	SLES	1	-17.5319	6.94559	-6.90699	HAL3	7692	0	0	0	0.09	
-7694	H12	SLES	1	-17.1785	8.47087	-6.00598	HAL3	7692	0	0	0	0.09	
-7695	H12	SLES	1	-16.8101	8.35805	-7.7704	HAL3	7692	0	0	0	0.09	
-7696	NA	SLES	1	-29.6958	29.1125	-14.9233	NA	0	0	0	0	1	
-7697	S	SLES	1	-27.3723	27.9581	-17.4961	SL	7698	7699	7700	7701	1.33	
-7698	OS1	SLES	1	-27.2919	27.5178	-15.8815	OSL	7697	7702	0	0	-0.28	
-7699	OS2	SLES	1	-28.6844	27.5608	-17.9629	O2L	7697	0	0	0	-0.65	
-7700	OS3	SLES	1	-27.2551	29.401	-17.5264	O2L	7697	0	0	0	-0.65	
-7701	OS4	SLES	1	-26.3461	27.3607	-18.3355	O2L	7697	0	0	0	-0.65	
-7702	C2	SLES	1	-26.285	26.436	-15.691	CC32A	7698	7703	7704	7705	-0.11	
-7703	H2A	SLES	1	-26.5135	25.5588	-16.3584	HCA2	7702	0	0	0	0.09	
-7704	H2B	SLES	1	-25.2699	26.8419	-15.9576	HCA2	7702	0	0	0	0.09	
-7705	C1	SLES	1	-26.2948	25.9667	-14.1595	CC32A	7702	7706	7707	7708	-0.01	
-7706	H1B	SLES	1	-27.3215	25.6468	-13.8676	HCA2	7705	0	0	0	0.09	
-7707	H1A	SLES	1	-25.9808	26.8105	-13.5019	HCA2	7705	0	0	0	0.09	
-7708	O1	SLES	1	-25.4553	24.833	-13.726	OC30A	7705	7709	0	0	-0.34	
-7709	C2	SLES	1	-24.3722	24.4593	-14.6034	CC32A	7708	7710	7711	7712	-0.01	
-7710	H2A	SLES	1	-24.9158	24.1865	-15.5291	HCA2	7709	0	0	0	0.09	
-7711	H2B	SLES	1	-23.8503	25.4291	-14.7665	HCA2	7709	0	0	0	0.09	
-7712	C1	SLES	1	-23.3254	23.3504	-14.2692	CC32A	7709	7713	7714	7715	-0.01	
-7713	H1B	SLES	1	-23.6803	22.3705	-14.6565	HCA2	7712	0	0	0	0.09	
-7714	H1A	SLES	1	-22.3618	23.5975	-14.7581	HCA2	7712	0	0	0	0.09	
-7715	O1	SLES	1	-22.9692	22.9677	-12.9019	OC30A	7712	7716	0	0	-0.34	
-7716	C1	SLES	1	-21.5902	22.4745	-12.7316	CTL2	7715	7717	7718	7719	-0.18	
-7717	H11	SLES	1	-21.1708	22.3237	-13.7428	HAL2	7716	0	0	0	0.09	
-7718	H12	SLES	1	-21.0995	23.3567	-12.2709	HAL2	7716	0	0	0	0.09	
-7719	C2	SLES	1	-21.3221	21.1913	-11.8497	CTL2	7716	7720	7721	7722	-0.18	
-7720	H21	SLES	1	-22.2941	20.7904	-11.4846	HAL2	7719	0	0	0	0.09	
-7721	H22	SLES	1	-20.7169	21.4819	-10.9633	HAL2	7719	0	0	0	0.09	
-7722	C3	SLES	1	-20.5508	20.0388	-12.6592	CTL2	7719	7723	7724	7725	-0.18	
-7723	H31	SLES	1	-21.2775	19.2422	-12.9342	HAL2	7722	0	0	0	0.09	
-7724	H32	SLES	1	-20.1441	20.4664	-13.5972	HAL2	7722	0	0	0	0.09	
-7725	C4	SLES	1	-19.3642	19.3892	-11.8331	CTL2	7722	7726	7727	7728	-0.18	
-7726	H41	SLES	1	-19.698	18.4082	-11.4351	HAL2	7725	0	0	0	0.09	
-7727	H42	SLES	1	-19.1198	20.044	-10.9691	HAL2	7725	0	0	0	0.09	
-7728	C5	SLES	1	-18.0491	19.1767	-12.7106	CTL2	7725	7729	7730	7731	-0.18	
-7729	H51	SLES	1	-18.3209	19.219	-13.7884	HAL2	7728	0	0	0	0.09	
-7730	H52	SLES	1	-17.3372	20.0083	-12.5043	HAL2	7728	0	0	0	0.09	
-7731	C6	SLES	1	-17.3321	17.8046	-12.4194	CTL2	7728	7732	7733	7734	-0.18	
-7732	H61	SLES	1	-17.9417	16.9783	-12.8489	HAL2	7731	0	0	0	0.09	
-7733	H62	SLES	1	-16.3399	17.7994	-12.9284	HAL2	7731	0	0	0	0.09	
-7734	C7	SLES	1	-17.1221	17.543	-10.8943	CTL2	7731	7735	7736	7737	-0.18	
-7735	H71	SLES	1	-18.0683	17.1509	-10.4599	HAL2	7734	0	0	0	0.09	
-7736	H72	SLES	1	-16.8852	18.5058	-10.3891	HAL2	7734	0	0	0	0.09	
-7737	C8	SLES	1	-15.9827	16.5318	-10.6136	CTL2	7734	7738	7739	7740	-0.18	
-7738	H81	SLES	1	-16.0981	15.6555	-11.292	HAL2	7737	0	0	0	0.09	
-7739	H82	SLES	1	-15.0043	17.0145	-10.8383	HAL2	7737	0	0	0	0.09	
-7740	C9	SLES	1	-15.9782	16.038	-9.14514	CTL2	7737	7741	7742	7743	-0.18	
-7741	H91	SLES	1	-16.9673	15.5821	-8.91237	HAL2	7740	0	0	0	0.09	
-7742	H92	SLES	1	-15.8349	16.9109	-8.46918	HAL2	7740	0	0	0	0.09	
-7743	C10	SLES	1	-14.8664	14.9981	-8.86935	CTL2	7740	7744	7745	7746	-0.18	
-7744	H10	SLES	1	-15.0232	14.1145	-9.52912	HAL2	7743	0	0	0	0.09	
-7745	H10	SLES	1	-13.8788	15.4458	-9.1229	HAL2	7743	0	0	0	0.09	
-7746	C11	SLES	1	-14.8454	14.5288	-7.39043	CTL2	7743	7747	7748	7749	-0.18	
-7747	H11	SLES	1	-15.8328	14.0757	-7.14379	HAL2	7746	0	0	0	0.09	
-7748	H11	SLES	1	-14.7064	15.4179	-6.73387	HAL2	7746	0	0	0	0.09	
-7749	C12	SLES	1	-13.7303	13.4976	-7.0778	CTL3	7746	7750	7751	7752	-0.27	
-7750	H12	SLES	1	-14.1746	12.5509	-6.69867	HAL3	7749	0	0	0	0.09	
-7751	H12	SLES	1	-13.0384	13.8989	-6.30478	HAL3	7749	0	0	0	0.09	
-7752	H12	SLES	1	-13.144	13.2714	-7.99498	HAL3	7749	0	0	0	0.09	
-7753	NA	SLES	1	-17.797	37.4106	-15.3557	NA	0	0	0	0	1	
-7754	S	SLES	1	-16.9606	35.0135	-17.9834	SL	7755	7756	7757	7758	1.33	
-7755	OS1	SLES	1	-16.6322	34.7871	-16.356	OSL	7754	7759	0	0	-0.28	
-7756	OS2	SLES	1	-18.3919	35.2082	-18.0879	O2L	7754	0	0	0	-0.65	
-7757	OS3	SLES	1	-16.2694	36.2261	-18.3689	O2L	7754	0	0	0	-0.65	
-7758	OS4	SLES	1	-16.5464	33.9142	-18.8404	O2L	7754	0	0	0	-0.65	
-7759	C2	SLES	1	-16.1542	33.3967	-16.1145	CC32A	7755	7760	7761	7762	-0.11	
-7760	H2A	SLES	1	-16.8983	32.6475	-16.5047	HCA2	7759	0	0	0	0.09	
-7761	H2B	SLES	1	-15.1775	33.2557	-16.6553	HCA2	7759	0	0	0	0.09	
-7762	C1	SLES	1	-15.9389	33.1759	-14.5426	CC32A	7759	7763	7764	7765	-0.01	
-7763	H1B	SLES	1	-16.8831	33.4009	-13.9954	HCA2	7762	0	0	0	0.09	
-7764	H1A	SLES	1	-15.1371	33.8553	-14.1702	HCA2	7762	0	0	0	0.09	
-7765	O1	SLES	1	-15.5613	31.8463	-14.0255	OC30A	7762	7766	0	0	-0.34	
-7766	C2	SLES	1	-15.0154	30.9131	-14.9813	CC32A	7765	7767	7768	7769	-0.01	
-7767	H2A	SLES	1	-15.8532	30.8087	-15.6983	HCA2	7766	0	0	0	0.09	
-7768	H2B	SLES	1	-14.2051	31.5073	-15.4606	HCA2	7766	0	0	0	0.09	
-7769	C1	SLES	1	-14.4747	29.498	-14.6039	CC32A	7766	7770	7771	7772	-0.01	
-7770	H1B	SLES	1	-15.2945	28.7508	-14.6791	HCA2	7769	0	0	0	0.09	
-7771	H1A	SLES	1	-13.6692	29.2137	-15.3103	HCA2	7769	0	0	0	0.09	
-7772	O1	SLES	1	-13.9506	29.1656	-13.2781	OC30A	7769	7773	0	0	-0.34	
-7773	C1	SLES	1	-12.9111	28.12	-13.2628	CTL2	7772	7774	7775	7776	-0.18	
-7774	H11	SLES	1	-12.8856	27.671	-14.2722	HAL2	7773	0	0	0	0.09	
-7775	H12	SLES	1	-11.9938	28.728	-13.1207	HAL2	7773	0	0	0	0.09	
-7776	C2	SLES	1	-12.9692	26.9758	-12.1749	CTL2	7773	7777	7778	7779	-0.18	
-7777	H21	SLES	1	-13.8794	27.1135	-11.5493	HAL2	7776	0	0	0	0.09	
-7778	H22	SLES	1	-12.0812	27.0628	-11.5111	HAL2	7776	0	0	0	0.09	
-7779	C3	SLES	1	-12.998	25.5084	-12.8263	CTL2	7776	7780	7781	7782	-0.18	
-7780	H31	SLES	1	-14.034	25.1068	-12.7664	HAL2	7779	0	0	0	0.09	
-7781	H32	SLES	1	-12.7239	25.5832	-13.8975	HAL2	7779	0	0	0	0.09	
-7782	C4	SLES	1	-12.0113	24.4939	-12.1125	CTL2	7779	7783	7784	7785	-0.18	
-7783	H41	SLES	1	-12.5988	23.8324	-11.4422	HAL2	7782	0	0	0	0.09	
-7784	H42	SLES	1	-11.2919	25.0641	-11.4862	HAL2	7782	0	0	0	0.09	
-7785	C5	SLES	1	-11.1971	23.5962	-13.1498	CTL2	7782	7786	7787	7788	-0.18	
-7786	H51	SLES	1	-11.71	23.6259	-14.1365	HAL2	7785	0	0	0	0.09	
-7787	H52	SLES	1	-10.1782	24.027	-13.2807	HAL2	7785	0	0	0	0.09	
-7788	C6	SLES	1	-11.0635	22.0955	-12.6899	CTL2	7785	7789	7790	7791	-0.18	
-7789	H61	SLES	1	-12.0525	21.595	-12.7928	HAL2	7788	0	0	0	0.09	
-7790	H62	SLES	1	-10.3434	21.5734	-13.3625	HAL2	7788	0	0	0	0.09	
-7791	C7	SLES	1	-10.5731	21.956	-11.214	CTL2	7788	7792	7793	7794	-0.18	
-7792	H71	SLES	1	-11.4384	22.0981	-10.5293	HAL2	7791	0	0	0	0.09	
-7793	H72	SLES	1	-9.83057	22.7567	-11	HAL2	7791	0	0	0	0.09	
-7794	C8	SLES	1	-9.92612	20.5779	-10.9279	CTL2	7791	7795	7796	7797	-0.18	
-7795	H81	SLES	1	-10.5746	19.7764	-11.3502	HAL2	7794	0	0	0	0.09	
-7796	H82	SLES	1	-8.93812	20.5265	-11.4396	HAL2	7794	0	0	0	0.09	
-7797	C9	SLES	1	-9.72581	20.3213	-9.41316	CTL2	7794	7798	7799	7800	-0.18	
-7798	H91	SLES	1	-10.7099	20.4022	-8.89793	HAL2	7797	0	0	0	0.09	
-7799	H92	SLES	1	-9.05507	21.1068	-8.99767	HAL2	7797	0	0	0	0.09	
-7800	C10	SLES	1	-9.11598	18.9301	-9.11984	CTL2	7797	7801	7802	7803	-0.18	
-7801	H10	SLES	1	-9.79838	18.1433	-9.51485	HAL2	7800	0	0	0	0.09	
-7802	H10	SLES	1	-8.14232	18.8401	-9.6527	HAL2	7800	0	0	0	0.09	
-7803	C11	SLES	1	-8.88827	18.6887	-7.60397	CTL2	7800	7804	7805	7806	-0.18	
-7804	H11	SLES	1	-9.8659	18.7729	-7.07647	HAL2	7803	0	0	0	0.09	
-7805	H11	SLES	1	-8.21996	19.4881	-7.2099	HAL2	7803	0	0	0	0.09	
-7806	C12	SLES	1	-8.26197	17.3081	-7.27811	CTL3	7803	7807	7808	7809	-0.27	
-7807	H12	SLES	1	-8.93636	16.7251	-6.61278	HAL3	7806	0	0	0	0.09	
-7808	H12	SLES	1	-7.28389	17.4389	-6.76469	HAL3	7806	0	0	0	0.09	
-7809	H12	SLES	1	-8.09712	16.7277	-8.21195	HAL3	7806	0	0	0	0.09	
-7810	NA	SLES	1	-3.78469	40.9933	-16.0408	NA	0	0	0	0	1	
-7811	S	SLES	1	-4.87667	38.4098	-18.3825	SL	7812	7813	7814	7815	1.33	
-7812	OS1	SLES	1	-4.20866	38.1018	-16.8771	OSL	7811	7816	0	0	-0.28	
-7813	OS2	SLES	1	-6.04664	39.2311	-18.1498	O2L	7811	0	0	0	-0.65	
-7814	OS3	SLES	1	-3.88334	39.165	-19.1171	O2L	7811	0	0	0	-0.65	
-7815	OS4	SLES	1	-5.24769	37.2202	-19.132	O2L	7811	0	0	0	-0.65	
-7816	C2	SLES	1	-4.32258	36.6529	-16.5485	CC32A	7812	7817	7818	7819	-0.11	
-7817	H2A	SLES	1	-5.39403	36.3139	-16.6139	HCA2	7816	0	0	0	0.09	
-7818	H2B	SLES	1	-3.7099	36.0692	-17.2903	HCA2	7816	0	0	0	0.09	
-7819	C1	SLES	1	-3.76522	36.3998	-15.0683	CC32A	7816	7820	7821	7822	-0.01	
-7820	H1B	SLES	1	-4.31237	37.0438	-14.3419	HCA2	7819	0	0	0	0.09	
-7821	H1A	SLES	1	-2.67961	36.65	-15.0235	HCA2	7819	0	0	0	0.09	
-7822	O1	SLES	1	-3.8569	35.058	-14.4608	OC30A	7819	7823	0	0	-0.34	
-7823	C2	SLES	1	-4.0739	33.9538	-15.3643	CC32A	7822	7824	7825	7826	-0.01	
-7824	H2A	SLES	1	-5.04719	34.2229	-15.8194	HCA2	7823	0	0	0	0.09	
-7825	H2B	SLES	1	-3.2709	34.1019	-16.121	HCA2	7823	0	0	0	0.09	
-7826	C1	SLES	1	-4.10439	32.4581	-14.918	CC32A	7823	7827	7828	7829	-0.01	
-7827	H1B	SLES	1	-5.1459	32.1636	-14.6638	HCA2	7826	0	0	0	0.09	
-7828	H1A	SLES	1	-3.74843	31.8202	-15.7517	HCA2	7826	0	0	0	0.09	
-7829	O1	SLES	1	-3.40429	31.9588	-13.7334	OC30A	7826	7830	0	0	-0.34	
-7830	C1	SLES	1	-2.95891	30.5558	-13.8175	CTL2	7829	7831	7832	7833	-0.18	
-7831	H11	SLES	1	-3.42944	30.1178	-14.7164	HAL2	7830	0	0	0	0.09	
-7832	H12	SLES	1	-1.87372	30.6837	-14.0106	HAL2	7830	0	0	0	0.09	
-7833	C2	SLES	1	-3.17341	29.5921	-12.584	CTL2	7830	7834	7835	7836	-0.18	
-7834	H21	SLES	1	-3.70554	30.145	-11.7778	HAL2	7833	0	0	0	0.09	
-7835	H22	SLES	1	-2.18056	29.2834	-12.1897	HAL2	7833	0	0	0	0.09	
-7836	C3	SLES	1	-4.01874	28.2817	-12.9669	CTL2	7833	7837	7838	7839	-0.18	
-7837	H31	SLES	1	-5.05702	28.3967	-12.5834	HAL2	7836	0	0	0	0.09	
-7838	H32	SLES	1	-4.07161	28.1955	-14.0705	HAL2	7836	0	0	0	0.09	
-7839	C4	SLES	1	-3.39727	26.9487	-12.376	CTL2	7836	7840	7841	7842	-0.18	
-7840	H41	SLES	1	-3.98189	26.6444	-11.4828	HAL2	7839	0	0	0	0.09	
-7841	H42	SLES	1	-2.35303	27.1457	-12.0508	HAL2	7839	0	0	0	0.09	
-7842	C5	SLES	1	-3.39439	25.752	-13.4308	CTL2	7839	7843	7844	7845	-0.18	
-7843	H51	SLES	1	-4.11324	25.9856	-14.247	HAL2	7842	0	0	0	0.09	
-7844	H52	SLES	1	-2.37937	25.6689	-13.8822	HAL2	7842	0	0	0	0.09	
-7845	C6	SLES	1	-3.78445	24.3672	-12.7891	CTL2	7842	7846	7847	7848	-0.18	
-7846	H61	SLES	1	-4.87318	24.3686	-12.5573	HAL2	7845	0	0	0	0.09	
-7847	H62	SLES	1	-3.59277	23.5574	-13.5313	HAL2	7845	0	0	0	0.09	
-7848	C7	SLES	1	-2.98607	24.059	-11.483	CTL2	7845	7849	7850	7851	-0.18	
-7849	H71	SLES	1	-3.46032	24.5969	-10.6324	HAL2	7848	0	0	0	0.09	
-7850	H72	SLES	1	-1.94635	24.4399	-11.5935	HAL2	7848	0	0	0	0.09	
-7851	C8	SLES	1	-2.93715	22.5455	-11.1567	CTL2	7848	7852	7853	7854	-0.18	
-7852	H81	SLES	1	-3.95893	22.1155	-11.2687	HAL2	7851	0	0	0	0.09	
-7853	H82	SLES	1	-2.26788	22.0371	-11.8876	HAL2	7851	0	0	0	0.09	
-7854	C9	SLES	1	-2.4249	22.2658	-9.72152	CTL2	7851	7855	7856	7857	-0.18	
-7855	H91	SLES	1	-3.07716	22.7987	-8.99288	HAL2	7854	0	0	0	0.09	
-7856	H92	SLES	1	-1.39304	22.6711	-9.61914	HAL2	7854	0	0	0	0.09	
-7857	C10	SLES	1	-2.41121	20.7577	-9.37683	CTL2	7854	7858	7859	7860	-0.18	
-7858	H10	SLES	1	-3.44751	20.357	-9.45649	HAL2	7857	0	0	0	0.09	
-7859	H10	SLES	1	-1.77695	20.221	-10.1182	HAL2	7857	0	0	0	0.09	
-7860	C11	SLES	1	-1.86872	20.4792	-7.94991	CTL2	7857	7861	7862	7863	-0.18	
-7861	H11	SLES	1	-2.51041	21.0125	-7.21173	HAL2	7860	0	0	0	0.09	
-7862	H11	SLES	1	-0.839366	20.8974	-7.86956	HAL2	7860	0	0	0	0.09	
-7863	C12	SLES	1	-1.82676	18.9739	-7.58002	CTL3	7860	7864	7865	7866	-0.27	
-7864	H12	SLES	1	-2.45354	18.7789	-6.68198	HAL3	7863	0	0	0	0.09	
-7865	H12	SLES	1	-0.783018	18.6591	-7.35888	HAL3	7863	0	0	0	0.09	
-7866	H12	SLES	1	-2.21191	18.3576	-8.42145	HAL3	7863	0	0	0	0.09	
-7867	NA	SLES	1	10.4335	39.4429	-16.9554	NA	0	0	0	0	1	
-7868	S	SLES	1	7.67935	37.7934	-18.7003	SL	7869	7870	7871	7872	1.33	
-7869	OS1	SLES	1	8.54322	37.1115	-17.4368	OSL	7868	7873	0	0	-0.28	
-7870	OS2	SLES	1	7.12178	39.0301	-18.1931	O2L	7868	0	0	0	-0.65	
-7871	OS3	SLES	1	8.64509	38.079	-19.7406	O2L	7868	0	0	0	-0.65	
-7872	OS4	SLES	1	6.61793	36.9513	-19.2282	O2L	7868	0	0	0	-0.65	
-7873	C2	SLES	1	7.8957	35.845	-16.9931	CC32A	7869	7874	7875	7876	-0.11	
-7874	H2A	SLES	1	6.81805	36.0239	-16.7214	HCA2	7873	0	0	0	0.09	
-7875	H2B	SLES	1	7.93994	35.1054	-17.8401	HCA2	7873	0	0	0	0.09	
-7876	C1	SLES	1	8.68304	35.2632	-15.7252	CC32A	7873	7877	7878	7879	-0.01	
-7877	H1B	SLES	1	8.71677	36.0287	-14.916	HCA2	7876	0	0	0	0.09	
-7878	H1A	SLES	1	9.72715	35.0003	-16.0148	HCA2	7876	0	0	0	0.09	
-7879	O1	SLES	1	8.18279	34.0621	-15.0289	OC30A	7876	7880	0	0	-0.34	
-7880	C2	SLES	1	7.24537	33.2389	-15.7543	CC32A	7879	7881	7882	7883	-0.01	
-7881	H2A	SLES	1	6.40928	33.9454	-15.9239	HCA2	7880	0	0	0	0.09	
-7882	H2B	SLES	1	7.77279	33.069	-16.7199	HCA2	7880	0	0	0	0.09	
-7883	C1	SLES	1	6.68167	31.8849	-15.2193	CC32A	7880	7884	7885	7886	-0.01	
-7884	H1B	SLES	1	5.74162	32.067	-14.6544	HCA2	7883	0	0	0	0.09	
-7885	H1A	SLES	1	6.4577	31.2179	-16.0758	HCA2	7883	0	0	0	0.09	
-7886	O1	SLES	1	7.39469	31.0414	-14.2586	OC30A	7883	7887	0	0	-0.34	
-7887	C1	SLES	1	7.12202	29.5971	-14.3745	CTL2	7886	7888	7889	7890	-0.18	
-7888	H11	SLES	1	6.26823	29.481	-15.0664	HAL2	7887	0	0	0	0.09	
-7889	H12	SLES	1	8.04251	29.2425	-14.8827	HAL2	7887	0	0	0	0.09	
-7890	C2	SLES	1	6.86736	28.7425	-13.0702	CTL2	7887	7891	7892	7893	-0.18	
-7891	H21	SLES	1	6.89624	29.4139	-12.1831	HAL2	7890	0	0	0	0.09	
-7892	H22	SLES	1	7.68476	27.9964	-12.9617	HAL2	7890	0	0	0	0.09	
-7893	C3	SLES	1	5.45627	27.9768	-13.1023	CTL2	7890	7894	7895	7896	-0.18	
-7894	H31	SLES	1	4.73892	28.5135	-12.4422	HAL2	7893	0	0	0	0.09	
-7895	H32	SLES	1	5.05389	28.0038	-14.1346	HAL2	7893	0	0	0	0.09	
-7896	C4	SLES	1	5.55922	26.4674	-12.6297	CTL2	7893	7897	7898	7899	-0.18	
-7897	H41	SLES	1	5.18662	26.3909	-11.5869	HAL2	7896	0	0	0	0.09	
-7898	H42	SLES	1	6.62569	26.155	-12.6359	HAL2	7896	0	0	0	0.09	
-7899	C5	SLES	1	4.72304	25.4748	-13.5572	CTL2	7896	7900	7901	7902	-0.18	
-7900	H51	SLES	1	3.98226	26.0627	-14.143	HAL2	7899	0	0	0	0.09	
-7901	H52	SLES	1	5.41526	24.9819	-14.2775	HAL2	7899	0	0	0	0.09	
-7902	C6	SLES	1	3.96078	24.3657	-12.7386	CTL2	7899	7903	7904	7905	-0.18	
-7903	H61	SLES	1	3.10616	24.8344	-12.2011	HAL2	7902	0	0	0	0.09	
-7904	H62	SLES	1	3.54742	23.6116	-13.4486	HAL2	7902	0	0	0	0.09	
-7905	C7	SLES	1	4.87731	23.6401	-11.7034	CTL2	7902	7906	7907	7908	-0.18	
-7906	H71	SLES	1	4.96139	24.2692	-10.7897	HAL2	7905	0	0	0	0.09	
-7907	H72	SLES	1	5.89593	23.5255	-12.1365	HAL2	7905	0	0	0	0.09	
-7908	C8	SLES	1	4.33827	22.2436	-11.3048	CTL2	7905	7909	7910	7911	-0.18	
-7909	H81	SLES	1	3.24865	22.3227	-11.086	HAL2	7908	0	0	0	0.09	
-7910	H82	SLES	1	4.46717	21.5453	-12.1629	HAL2	7908	0	0	0	0.09	
-7911	C9	SLES	1	5.06252	21.6615	-10.0651	CTL2	7908	7912	7913	7914	-0.18	
-7912	H91	SLES	1	4.95831	22.3743	-9.2157	HAL2	7911	0	0	0	0.09	
-7913	H92	SLES	1	6.14693	21.5567	-10.2943	HAL2	7911	0	0	0	0.09	
-7914	C10	SLES	1	4.50135	20.2841	-9.63907	CTL2	7911	7915	7916	7917	-0.18	
-7915	H10	SLES	1	3.42183	20.3934	-9.38714	HAL2	7914	0	0	0	0.09	
-7916	H10	SLES	1	4.58492	19.5769	-10.4951	HAL2	7914	0	0	0	0.09	
-7917	C11	SLES	1	5.24935	19.6902	-8.41609	CTL2	7914	7918	7919	7920	-0.18	
-7918	H11	SLES	1	5.15703	20.3979	-7.56072	HAL2	7917	0	0	0	0.09	
-7919	H11	SLES	1	6.33102	19.5996	-8.66653	HAL2	7917	0	0	0	0.09	
-7920	C12	SLES	1	4.72066	18.3009	-7.97445	CTL3	7917	7921	7922	7923	-0.27	
-7921	H12	SLES	1	4.36249	18.3404	-6.92207	HAL3	7920	0	0	0	0.09	
-7922	H12	SLES	1	5.52843	17.5395	-8.04562	HAL3	7920	0	0	0	0.09	
-7923	H12	SLES	1	3.8763	17.9835	-8.62441	HAL3	7920	0	0	0	0.09	
-7924	NA	SLES	1	22.9732	33.1436	-18.0503	NA	0	0	0	0	1	
-7925	S	SLES	1	19.4325	33.1693	-18.9521	SL	7926	7927	7928	7929	1.33	
-7926	OS1	SLES	1	20.1641	31.9825	-18.0228	OSL	7925	7930	0	0	-0.28	
-7927	OS2	SLES	1	19.6588	34.4237	-18.2645	O2L	7925	0	0	0	-0.65	
-7928	OS3	SLES	1	20.1276	33.1719	-20.2223	O2L	7925	0	0	0	-0.65	
-7929	OS4	SLES	1	18.008	32.9729	-19.1681	O2L	7925	0	0	0	-0.65	
-7930	C2	SLES	1	19.1358	31.0709	-17.4469	CC32A	7926	7931	7932	7933	-0.11	
-7931	H2A	SLES	1	18.3703	31.6542	-16.863	HCA2	7930	0	0	0	0.09	
-7932	H2B	SLES	1	18.6195	30.5358	-18.2915	HCA2	7930	0	0	0	0.09	
-7933	C1	SLES	1	19.8499	30.0053	-16.4876	CC32A	7930	7934	7935	7936	-0.01	
-7934	H1B	SLES	1	20.4351	30.5354	-15.7013	HCA2	7933	0	0	0	0.09	
-7935	H1A	SLES	1	20.5434	29.3651	-17.0812	HCA2	7933	0	0	0	0.09	
-7936	O1	SLES	1	19.0399	29.046	-15.712	OC30A	7933	7937	0	0	-0.34	
-7937	C2	SLES	1	17.6805	28.8446	-16.1527	CC32A	7936	7938	7939	7940	-0.01	
-7938	H2A	SLES	1	17.2557	29.8619	-16.0452	HCA2	7937	0	0	0	0.09	
-7939	H2B	SLES	1	17.8101	28.6226	-17.2358	HCA2	7937	0	0	0	0.09	
-7940	C1	SLES	1	16.7055	27.8041	-15.5172	CC32A	7937	7941	7942	7943	-0.01	
-7941	H1B	SLES	1	16.1313	28.2821	-14.6939	HCA2	7940	0	0	0	0.09	
-7942	H1A	SLES	1	15.9925	27.4516	-16.2892	HCA2	7940	0	0	0	0.09	
-7943	O1	SLES	1	17.1586	26.5895	-14.8372	OC30A	7940	7944	0	0	-0.34	
-7944	C1	SLES	1	16.2273	25.4489	-14.912	CTL2	7943	7945	7946	7947	-0.18	
-7945	H11	SLES	1	15.2757	25.8314	-15.3234	HAL2	7944	0	0	0	0.09	
-7946	H12	SLES	1	16.7188	24.8173	-15.6806	HAL2	7944	0	0	0	0.09	
-7947	C2	SLES	1	15.938	24.5897	-13.618	CTL2	7944	7948	7949	7950	-0.18	
-7948	H21	SLES	1	16.4947	25.0261	-12.7587	HAL2	7947	0	0	0	0.09	
-7949	H22	SLES	1	16.3133	23.5555	-13.7795	HAL2	7947	0	0	0	0.09	
-7950	C3	SLES	1	14.3749	24.532	-13.2547	CTL2	7947	7951	7952	7953	-0.18	
-7951	H31	SLES	1	14.1783	25.2113	-12.3956	HAL2	7950	0	0	0	0.09	
-7952	H32	SLES	1	13.7889	24.9003	-14.1202	HAL2	7950	0	0	0	0.09	
-7953	C4	SLES	1	13.8789	23.0737	-12.8808	CTL2	7950	7954	7955	7956	-0.18	
-7954	H41	SLES	1	13.7857	22.9974	-11.7774	HAL2	7953	0	0	0	0.09	
-7955	H42	SLES	1	14.6388	22.3336	-13.2122	HAL2	7953	0	0	0	0.09	
-7956	C5	SLES	1	12.4767	22.7114	-13.5497	CTL2	7953	7957	7958	7959	-0.18	
-7957	H51	SLES	1	11.9745	23.6504	-13.8714	HAL2	7956	0	0	0	0.09	
-7958	H52	SLES	1	12.6573	22.0916	-14.4575	HAL2	7956	0	0	0	0.09	
-7959	C6	SLES	1	11.517	21.9277	-12.577	CTL2	7956	7960	7961	7962	-0.18	
-7960	H61	SLES	1	11.1418	22.6268	-11.7963	HAL2	7959	0	0	0	0.09	
-7961	H62	SLES	1	10.6391	21.5566	-13.1559	HAL2	7959	0	0	0	0.09	
-7962	C7	SLES	1	12.2164	20.7166	-11.8825	CTL2	7959	7963	7964	7965	-0.18	
-7963	H71	SLES	1	12.8071	21.0871	-11.0155	HAL2	7962	0	0	0	0.09	
-7964	H72	SLES	1	12.9215	20.2424	-12.6011	HAL2	7962	0	0	0	0.09	
-7965	C8	SLES	1	11.2087	19.6501	-11.3858	CTL2	7962	7966	7967	7968	-0.18	
-7966	H81	SLES	1	10.3735	20.1589	-10.8519	HAL2	7965	0	0	0	0.09	
-7967	H82	SLES	1	10.7808	19.1164	-12.2649	HAL2	7965	0	0	0	0.09	
-7968	C9	SLES	1	11.8621	18.6162	-10.4347	CTL2	7965	7969	7970	7971	-0.18	
-7969	H91	SLES	1	12.3155	19.1533	-9.57083	HAL2	7968	0	0	0	0.09	
-7970	H92	SLES	1	12.6783	18.0886	-10.9778	HAL2	7968	0	0	0	0.09	
-7971	C10	SLES	1	10.8513	17.5718	-9.90467	CTL2	7968	7972	7973	7974	-0.18	
-7972	H10	SLES	1	10.0469	18.0975	-9.34124	HAL2	7971	0	0	0	0.09	
-7973	H10	SLES	1	10.3812	17.0497	-10.7686	HAL2	7971	0	0	0	0.09	
-7974	C11	SLES	1	11.5151	16.5199	-8.97695	CTL2	7971	7975	7976	7977	-0.18	
-7975	H11	SLES	1	11.9778	17.0464	-8.11103	HAL2	7974	0	0	0	0.09	
-7976	H11	SLES	1	12.3304	16.0095	-9.53901	HAL2	7974	0	0	0	0.09	
-7977	C12	SLES	1	10.5303	15.4482	-8.44199	CTL3	7974	7978	7979	7980	-0.27	
-7978	H12	SLES	1	10.5056	15.4667	-7.33006	HAL3	7977	0	0	0	0.09	
-7979	H12	SLES	1	10.8457	14.434	-8.77267	HAL3	7977	0	0	0	0.09	
-7980	H12	SLES	1	9.50365	15.6416	-8.82243	HAL3	7977	0	0	0	0.09	
-7981	NA	SLES	1	32.3216	23.1647	-19.256	NA	0	0	0	0	1	
-7982	S	SLES	1	29.1249	24.932	-19.1611	SL	7983	7984	7985	7986	1.33	
-7983	OS1	SLES	1	29.3558	23.3632	-18.6197	OSL	7982	7987	0	0	-0.28	
-7984	OS2	SLES	1	30.0413	25.7629	-18.4079	O2L	7982	0	0	0	-0.65	
-7985	OS3	SLES	1	29.4959	24.9337	-20.5607	O2L	7982	0	0	0	-0.65	
-7986	OS4	SLES	1	27.7667	25.4283	-19.0086	O2L	7982	0	0	0	-0.65	
-7987	C2	SLES	1	28.1399	22.8788	-17.9074	CC32A	7983	7988	7989	7990	-0.11	
-7988	H2A	SLES	1	27.8643	23.5794	-17.0706	HCA2	7987	0	0	0	0.09	
-7989	H2B	SLES	1	27.2888	22.8362	-18.6422	HCA2	7987	0	0	0	0.09	
-7990	C1	SLES	1	28.419	21.416	-17.3174	CC32A	7987	7991	7992	7993	-0.01	
-7991	H1B	SLES	1	29.3166	21.4383	-16.6575	HCA2	7990	0	0	0	0.09	
-7992	H1A	SLES	1	28.6038	20.6993	-18.1513	HCA2	7990	0	0	0	0.09	
-7993	O1	SLES	1	27.4041	20.7484	-16.4793	OC30A	7990	7994	0	0	-0.34	
-7994	C2	SLES	1	26.0592	21.2654	-16.5596	CC32A	7993	7995	7996	7997	-0.01	
-7995	H2A	SLES	1	26.1979	22.3089	-16.2148	HCA2	7994	0	0	0	0.09	
-7996	H2B	SLES	1	25.8701	21.2723	-17.6566	HCA2	7994	0	0	0	0.09	
-7997	C1	SLES	1	24.8384	20.6318	-15.821	CC32A	7994	7998	7999	8000	-0.01	
-7998	H1B	SLES	1	24.7203	21.1015	-14.8203	HCA2	7997	0	0	0	0.09	
-7999	H1A	SLES	1	23.9181	20.816	-16.4106	HCA2	7997	0	0	0	0.09	
-8000	O1	SLES	1	24.7716	19.2183	-15.4462	OC30A	7997	8001	0	0	-0.34	
-8001	C1	SLES	1	23.4131	18.6464	-15.4102	CTL2	8000	8002	8003	8004	-0.18	
-8002	H11	SLES	1	22.7026	19.4882	-15.499	HAL2	8001	0	0	0	0.09	
-8003	H12	SLES	1	23.3968	18.0659	-16.3557	HAL2	8001	0	0	0	0.09	
-8004	C2	SLES	1	22.9873	17.7182	-14.2046	CTL2	8001	8005	8006	8007	-0.18	
-8005	H21	SLES	1	23.8289	17.6539	-13.4792	HAL2	8004	0	0	0	0.09	
-8006	H22	SLES	1	22.7882	16.6942	-14.5897	HAL2	8004	0	0	0	0.09	
-8007	C3	SLES	1	21.6801	18.2583	-13.4443	CTL2	8004	8008	8009	8010	-0.18	
-8008	H31	SLES	1	21.9893	18.7314	-12.4857	HAL2	8007	0	0	0	0.09	
-8009	H32	SLES	1	21.1958	19.0368	-14.0669	HAL2	8007	0	0	0	0.09	
-8010	C4	SLES	1	20.6254	17.1158	-13.137	CTL2	8007	8011	8012	8013	-0.18	
-8011	H41	SLES	1	20.7073	16.8289	-12.0678	HAL2	8010	0	0	0	0.09	
-8012	H42	SLES	1	20.8669	16.2214	-13.7509	HAL2	8010	0	0	0	0.09	
-8013	C5	SLES	1	19.1259	17.5652	-13.4438	CTL2	8010	8014	8015	8016	-0.18	
-8014	H51	SLES	1	19.0834	18.6755	-13.4979	HAL2	8013	0	0	0	0.09	
-8015	H52	SLES	1	18.8225	17.1624	-14.4371	HAL2	8013	0	0	0	0.09	
-8016	C6	SLES	1	18.1013	17.0686	-12.3552	CTL2	8013	8017	8018	8019	-0.18	
-8017	H61	SLES	1	18.2521	17.6546	-11.4209	HAL2	8016	0	0	0	0.09	
-8018	H62	SLES	1	17.0649	17.2624	-12.7182	HAL2	8016	0	0	0	0.09	
-8019	C7	SLES	1	18.2507	15.5481	-12.0323	CTL2	8016	8020	8021	8022	-0.18	
-8020	H71	SLES	1	19.0915	15.4101	-11.3169	HAL2	8019	0	0	0	0.09	
-8021	H72	SLES	1	18.5022	15.0004	-12.9678	HAL2	8019	0	0	0	0.09	
-8022	C8	SLES	1	16.9645	14.9388	-11.4208	CTL2	8019	8023	8024	8025	-0.18	
-8023	H81	SLES	1	16.5844	15.6166	-10.6223	HAL2	8022	0	0	0	0.09	
-8024	H82	SLES	1	16.1839	14.8674	-12.212	HAL2	8022	0	0	0	0.09	
-8025	C9	SLES	1	17.2049	13.5318	-10.8183	CTL2	8022	8026	8027	8028	-0.18	
-8026	H91	SLES	1	18.0065	13.5988	-10.048	HAL2	8025	0	0	0	0.09	
-8027	H92	SLES	1	17.5581	12.8481	-11.6228	HAL2	8025	0	0	0	0.09	
-8028	C10	SLES	1	15.9326	12.9351	-10.1713	CTL2	8025	8029	8030	8031	-0.18	
-8029	H10	SLES	1	15.5924	13.6073	-9.35079	HAL2	8028	0	0	0	0.09	
-8030	H10	SLES	1	15.1238	12.8884	-10.9353	HAL2	8028	0	0	0	0.09	
-8031	C11	SLES	1	16.1692	11.5134	-9.5962	CTL2	8028	8032	8033	8034	-0.18	
-8032	H11	SLES	1	16.9741	11.5667	-8.82775	HAL2	8031	0	0	0	0.09	
-8033	H11	SLES	1	16.5264	10.8496	-10.4164	HAL2	8031	0	0	0	0.09	
-8034	C12	SLES	1	14.9071	10.8806	-8.95492	CTL3	8031	8035	8036	8037	-0.27	
-8035	H12	SLES	1	15.0946	10.6446	-7.88419	HAL3	8034	0	0	0	0.09	
-8036	H12	SLES	1	14.6356	9.93997	-9.48293	HAL3	8034	0	0	0	0.09	
-8037	H12	SLES	1	14.0475	11.5829	-9.01762	HAL3	8034	0	0	0	0.09	
-8038	NA	SLES	1	37.5682	10.9937	-20.4902	NA	0	0	0	0	1	
-8039	S	SLES	1	35.6342	13.8783	-19.3549	SL	8040	8041	8042	8043	1.33	
-8040	OS1	SLES	1	35.1327	12.2861	-19.2105	OSL	8039	8044	0	0	-0.28	
-8041	OS2	SLES	1	36.9009	13.9721	-18.6591	O2L	8039	0	0	0	-0.65	
-8042	OS3	SLES	1	35.8315	14.1116	-20.7702	O2L	8039	0	0	0	-0.65	
-8043	OS4	SLES	1	34.7005	14.8552	-18.8179	O2L	8039	0	0	0	-0.65	
-8044	C2	SLES	1	33.9039	12.206	-18.3714	CC32A	8040	8045	8046	8047	-0.11	
-8045	H2A	SLES	1	34.0754	12.6887	-17.369	HCA2	8044	0	0	0	0.09	
-8046	H2B	SLES	1	33.0738	12.7508	-18.9009	HCA2	8044	0	0	0	0.09	
-8047	C1	SLES	1	33.4996	10.6693	-18.169	CC32A	8044	8048	8049	8050	-0.01	
-8048	H1B	SLES	1	34.3538	10.1079	-17.7251	HCA2	8047	0	0	0	0.09	
-8049	H1A	SLES	1	33.2415	10.212	-19.1526	HCA2	8047	0	0	0	0.09	
-8050	O1	SLES	1	32.37	10.3093	-17.2903	OC30A	8047	8051	0	0	-0.34	
-8051	C2	SLES	1	31.4367	11.3636	-16.9742	CC32A	8050	8052	8053	8054	-0.01	
-8052	H2A	SLES	1	32.0894	12.0955	-16.4592	HCA2	8051	0	0	0	0.09	
-8053	H2B	SLES	1	31.1752	11.762	-17.9803	HCA2	8051	0	0	0	0.09	
-8054	C1	SLES	1	30.1345	11.151	-16.1397	CC32A	8051	8055	8056	8057	-0.01	
-8055	H1B	SLES	1	30.3475	11.3213	-15.0619	HCA2	8054	0	0	0	0.09	
-8056	H1A	SLES	1	29.3659	11.8786	-16.4691	HCA2	8054	0	0	0	0.09	
-8057	O1	SLES	1	29.4325	9.86899	-16.0591	OC30A	8054	8058	0	0	-0.34	
-8058	C1	SLES	1	27.9757	9.96775	-15.8536	CTL2	8057	8059	8060	8061	-0.18	
-8059	H11	SLES	1	27.7512	11.0228	-15.6136	HAL2	8058	0	0	0	0.09	
-8060	H12	SLES	1	27.5972	9.74648	-16.873	HAL2	8058	0	0	0	0.09	
-8061	C2	SLES	1	27.2686	9.02303	-14.8031	CTL2	8058	8062	8063	8064	-0.18	
-8062	H21	SLES	1	28.0383	8.3939	-14.3025	HAL2	8061	0	0	0	0.09	
-8063	H22	SLES	1	26.5688	8.34563	-15.3397	HAL2	8061	0	0	0	0.09	
-8064	C3	SLES	1	26.4557	9.84338	-13.6874	CTL2	8061	8065	8066	8067	-0.18	
-8065	H31	SLES	1	27.0396	9.84072	-12.7401	HAL2	8064	0	0	0	0.09	
-8066	H32	SLES	1	26.3498	10.8957	-14.0183	HAL2	8064	0	0	0	0.09	
-8067	C4	SLES	1	25.0153	9.24541	-13.4051	CTL2	8064	8068	8069	8070	-0.18	
-8068	H41	SLES	1	25.0463	8.6632	-12.4605	HAL2	8067	0	0	0	0.09	
-8069	H42	SLES	1	24.7414	8.54961	-14.2272	HAL2	8067	0	0	0	0.09	
-8070	C5	SLES	1	23.8941	10.3739	-13.2864	CTL2	8067	8071	8072	8073	-0.18	
-8071	H51	SLES	1	24.3845	11.3548	-13.1	HAL2	8070	0	0	0	0.09	
-8072	H52	SLES	1	23.3459	10.4438	-14.2536	HAL2	8070	0	0	0	0.09	
-8073	C6	SLES	1	22.8606	10.0932	-12.1311	CTL2	8070	8074	8075	8076	-0.18	
-8074	H61	SLES	1	23.3582	10.2634	-11.15	HAL2	8073	0	0	0	0.09	
-8075	H62	SLES	1	22.016	10.8161	-12.2173	HAL2	8073	0	0	0	0.09	
-8076	C7	SLES	1	22.2913	8.63969	-12.1681	CTL2	8073	8077	8078	8079	-0.18	
-8077	H71	SLES	1	23.024	7.95089	-11.6922	HAL2	8076	0	0	0	0.09	
-8078	H72	SLES	1	22.1631	8.3259	-13.228	HAL2	8076	0	0	0	0.09	
-8079	C8	SLES	1	20.9321	8.51234	-11.4361	CTL2	8076	8080	8081	8082	-0.18	
-8080	H81	SLES	1	20.9979	9.03222	-10.4528	HAL2	8079	0	0	0	0.09	
-8081	H82	SLES	1	20.1446	9.0175	-12.0404	HAL2	8079	0	0	0	0.09	
-8082	C9	SLES	1	20.522	7.03675	-11.202	CTL2	8079	8083	8084	8085	-0.18	
-8083	H91	SLES	1	21.3238	6.52456	-10.623	HAL2	8082	0	0	0	0.09	
-8084	H92	SLES	1	20.4293	6.52534	-12.1865	HAL2	8082	0	0	0	0.09	
-8085	C10	SLES	1	19.1842	6.90415	-10.4364	CTL2	8082	8086	8087	8088	-0.18	
-8086	H10	SLES	1	19.2842	7.39548	-9.44174	HAL2	8085	0	0	0	0.09	
-8087	H10	SLES	1	18.3865	7.43501	-11.0037	HAL2	8085	0	0	0	0.09	
-8088	C11	SLES	1	18.7613	5.42537	-10.2307	CTL2	8085	8089	8090	8091	-0.18	
-8089	H11	SLES	1	19.5592	4.90054	-9.65707	HAL2	8088	0	0	0	0.09	
-8090	H11	SLES	1	18.6802	4.93362	-11.227	HAL2	8088	0	0	0	0.09	
-8091	C12	SLES	1	17.4146	5.25906	-9.48025	CTL3	8088	8092	8093	8094	-0.27	
-8092	H12	SLES	1	17.5624	4.67337	-8.5462	HAL3	8091	0	0	0	0.09	
-8093	H12	SLES	1	16.6786	4.72491	-10.1208	HAL3	8091	0	0	0	0.09	
-8094	H12	SLES	1	16.9954	6.25335	-9.21237	HAL3	8091	0	0	0	0.09	
-8095	NA	SLES	1	38.4636	-1.78727	-21.6666	NA	0	0	0	0	1	
-8096	S	SLES	1	38.117	1.18013	-19.563	SL	8097	8098	8099	8100	1.33	
-8097	OS1	SLES	1	36.9201	0.0276823	-19.7789	OSL	8096	8101	0	0	-0.28	
-8098	OS2	SLES	1	39.2712	0.477432	-19.042	O2L	8096	0	0	0	-0.65	
-8099	OS3	SLES	1	38.4131	1.70476	-20.8797	O2L	8096	0	0	0	-0.65	
-8100	OS4	SLES	1	37.753	2.26672	-18.6679	O2L	8096	0	0	0	-0.65	
-8101	C2	SLES	1	35.793	0.271098	-18.8351	CC32A	8097	8102	8103	8104	-0.11	
-8102	H2A	SLES	1	36.1642	0.302411	-17.7729	HCA2	8101	0	0	0	0.09	
-8103	H2B	SLES	1	35.3243	1.26274	-19.0866	HCA2	8101	0	0	0	0.09	
-8104	C1	SLES	1	34.7075	-0.896066	-18.9938	CC32A	8101	8105	8106	8107	-0.01	
-8105	H1B	SLES	1	35.1901	-1.88728	-18.8316	HCA2	8104	0	0	0	0.09	
-8106	H1A	SLES	1	34.2718	-0.872245	-20.0198	HCA2	8104	0	0	0	0.09	
-8107	O1	SLES	1	33.5347	-0.944665	-18.0992	OC30A	8104	8108	0	0	-0.34	
-8108	C2	SLES	1	33.2095	0.272051	-17.3947	CC32A	8107	8109	8110	8111	-0.01	
-8109	H2A	SLES	1	34.1267	0.437994	-16.7962	HCA2	8108	0	0	0	0.09	
-8110	H2B	SLES	1	33.1762	1.02301	-18.2158	HCA2	8108	0	0	0	0.09	
-8111	C1	SLES	1	31.955	0.438804	-16.4805	CC32A	8108	8112	8113	8114	-0.01	
-8112	H1B	SLES	1	32.2143	0.166494	-15.4343	HCA2	8111	0	0	0	0.09	
-8113	H1A	SLES	1	31.6255	1.49694	-16.5008	HCA2	8111	0	0	0	0.09	
-8114	O1	SLES	1	30.7289	-0.342994	-16.6487	OC30A	8111	8115	0	0	-0.34	
-8115	C1	SLES	1	29.491	0.341542	-16.2326	CTL2	8114	8116	8117	8118	-0.18	
-8116	H11	SLES	1	29.791	1.25915	-15.6948	HAL2	8115	0	0	0	0.09	
-8117	H12	SLES	1	29.0614	0.628983	-17.2145	HAL2	8115	0	0	0	0.09	
-8118	C2	SLES	1	28.4121	-0.441213	-15.3845	CTL2	8115	8119	8120	8121	-0.18	
-8119	H21	SLES	1	28.7878	-1.4677	-15.1748	HAL2	8118	0	0	0	0.09	
-8120	H22	SLES	1	27.4794	-0.533603	-15.983	HAL2	8118	0	0	0	0.09	
-8121	C3	SLES	1	28.0754	0.287858	-13.994	CTL2	8118	8122	8123	8124	-0.18	
-8122	H31	SLES	1	28.5804	-0.259806	-13.1673	HAL2	8121	0	0	0	0.09	
-8123	H32	SLES	1	28.4832	1.31806	-14.0181	HAL2	8121	0	0	0	0.09	
-8124	C4	SLES	1	26.5212	0.356914	-13.6907	CTL2	8121	8125	8126	8127	-0.18	
-8125	H41	SLES	1	26.265	-0.42556	-12.9462	HAL2	8124	0	0	0	0.09	
-8126	H42	SLES	1	25.9574	0.13979	-14.6234	HAL2	8124	0	0	0	0.09	
-8127	C5	SLES	1	26.0673	1.77977	-13.1301	CTL2	8124	8128	8129	8130	-0.18	
-8128	H51	SLES	1	26.9623	2.32588	-12.7582	HAL2	8127	0	0	0	0.09	
-8129	H52	SLES	1	25.6257	2.37353	-13.9628	HAL2	8127	0	0	0	0.09	
-8130	C6	SLES	1	25.0146	1.67232	-11.9632	CTL2	8127	8131	8132	8133	-0.18	
-8131	H61	SLES	1	25.5252	1.29912	-11.0472	HAL2	8130	0	0	0	0.09	
-8132	H62	SLES	1	24.6138	2.6892	-11.7424	HAL2	8130	0	0	0	0.09	
-8133	C7	SLES	1	23.8251	0.72082	-12.3067	CTL2	8130	8134	8135	8136	-0.18	
-8134	H71	SLES	1	24.1402	-0.331682	-12.1314	HAL2	8133	0	0	0	0.09	
-8135	H72	SLES	1	23.5724	0.828712	-13.3851	HAL2	8133	0	0	0	0.09	
-8136	C8	SLES	1	22.5616	1.01542	-11.4603	CTL2	8133	8137	8138	8139	-0.18	
-8137	H81	SLES	1	22.8576	1.13171	-10.3924	HAL2	8136	0	0	0	0.09	
-8138	H82	SLES	1	22.1124	1.97652	-11.7995	HAL2	8136	0	0	0	0.09	
-8139	C9	SLES	1	21.4997	-0.107144	-11.5718	CTL2	8136	8140	8141	8142	-0.18	
-8140	H91	SLES	1	21.9584	-1.07312	-11.2606	HAL2	8139	0	0	0	0.09	
-8141	H92	SLES	1	21.184	-0.203668	-12.6351	HAL2	8139	0	0	0	0.09	
-8142	C10	SLES	1	20.2523	0.163422	-10.6976	CTL2	8139	8143	8144	8145	-0.18	
-8143	H10	SLES	1	20.5647	0.236813	-9.63093	HAL2	8142	0	0	0	0.09	
-8144	H10	SLES	1	19.8059	1.13981	-10.9932	HAL2	8142	0	0	0	0.09	
-8145	C11	SLES	1	19.1777	-0.947573	-10.8354	CTL2	8142	8146	8147	8148	-0.18	
-8146	H11	SLES	1	19.6271	-1.92083	-10.5321	HAL2	8145	0	0	0	0.09	
-8147	H11	SLES	1	18.8817	-1.0294	-11.9062	HAL2	8145	0	0	0	0.09	
-8148	C12	SLES	1	17.9067	-0.696831	-9.9833	CTL3	8145	8149	8150	8151	-0.27	
-8149	H12	SLES	1	17.7517	-1.5322	-9.26534	HAL3	8148	0	0	0	0.09	
-8150	H12	SLES	1	17.0108	-0.621678	-10.6384	HAL3	8148	0	0	0	0.09	
-8151	H12	SLES	1	18.0061	0.250002	-9.40907	HAL3	8148	0	0	0	0.09	
-8152	NA	SLES	1	35.3102	-13.7755	-22.7047	NA	0	0	0	0	1	
-8153	S	SLES	1	36.1574	-11.7082	-19.8135	SL	8154	8155	8156	8157	1.33	
-8154	OS1	SLES	1	34.5932	-12.045	-20.3108	OSL	8153	8158	0	0	-0.28	
-8155	OS2	SLES	1	36.7912	-12.9865	-19.5656	O2L	8153	0	0	0	-0.65	
-8156	OS3	SLES	1	36.8014	-11.0476	-20.9296	O2L	8153	0	0	0	-0.65	
-8157	OS4	SLES	1	36.2457	-10.873	-18.6264	O2L	8153	0	0	0	-0.65	
-8158	C2	SLES	1	33.6142	-11.5665	-19.2945	CC32A	8154	8159	8160	8161	-0.11	
-8159	H2A	SLES	1	33.842	-12.0086	-18.2846	HCA2	8158	0	0	0	0.09	
-8160	H2B	SLES	1	33.6886	-10.4457	-19.2267	HCA2	8158	0	0	0	0.09	
-8161	C1	SLES	1	32.1351	-11.9842	-19.7457	CC32A	8158	8162	8163	8164	-0.01	
-8162	H1B	SLES	1	32.0827	-13.0866	-19.8992	HCA2	8161	0	0	0	0.09	
-8163	H1A	SLES	1	31.8722	-11.4754	-20.7024	HCA2	8161	0	0	0	0.09	
-8164	O1	SLES	1	30.9857	-11.7147	-18.8601	OC30A	8161	8165	0	0	-0.34	
-8165	C2	SLES	1	31.1888	-10.7368	-17.8185	CC32A	8164	8166	8167	8168	-0.01	
-8166	H2A	SLES	1	32.0088	-11.1976	-17.2334	HCA2	8165	0	0	0	0.09	
-8167	H2B	SLES	1	31.5953	-9.86705	-18.3822	HCA2	8165	0	0	0	0.09	
-8168	C1	SLES	1	30.0654	-10.2538	-16.848	CC32A	8165	8169	8170	8171	-0.01	
-8169	H1B	SLES	1	30.0557	-10.8923	-15.9379	HCA2	8168	0	0	0	0.09	
-8170	H1A	SLES	1	30.2684	-9.20706	-16.5452	HCA2	8168	0	0	0	0.09	
-8171	O1	SLES	1	28.6423	-10.2799	-17.1902	OC30A	8168	8172	0	0	-0.34	
-8172	C1	SLES	1	27.8267	-9.23484	-16.5448	CTL2	8171	8173	8174	8175	-0.18	
-8173	H11	SLES	1	28.4587	-8.75762	-15.7741	HAL2	8172	0	0	0	0.09	
-8174	H12	SLES	1	27.6867	-8.5206	-17.3823	HAL2	8172	0	0	0	0.09	
-8175	C2	SLES	1	26.4243	-9.61109	-15.9218	CTL2	8172	8176	8177	8178	-0.18	
-8176	H21	SLES	1	26.2564	-10.7054	-16.0361	HAL2	8175	0	0	0	0.09	
-8177	H22	SLES	1	25.6249	-9.08142	-16.4848	HAL2	8175	0	0	0	0.09	
-8178	C3	SLES	1	26.3182	-9.22422	-14.367	CTL2	8175	8179	8180	8181	-0.18	
-8179	H31	SLES	1	26.4203	-10.1491	-13.7567	HAL2	8178	0	0	0	0.09	
-8180	H32	SLES	1	27.1572	-8.54942	-14.1044	HAL2	8178	0	0	0	0.09	
-8181	C4	SLES	1	24.9509	-8.51285	-13.9972	CTL2	8178	8182	8183	8184	-0.18	
-8182	H41	SLES	1	24.2834	-9.2505	-13.5049	HAL2	8181	0	0	0	0.09	
-8183	H42	SLES	1	24.4536	-8.17046	-14.9302	HAL2	8181	0	0	0	0.09	
-8184	C5	SLES	1	25.1517	-7.26182	-13.028	CTL2	8181	8185	8186	8187	-0.18	
-8185	H51	SLES	1	26.1525	-7.33182	-12.5474	HAL2	8184	0	0	0	0.09	
-8186	H52	SLES	1	25.1273	-6.32675	-13.633	HAL2	8184	0	0	0	0.09	
-8187	C6	SLES	1	24.0517	-7.17345	-11.9039	CTL2	8184	8188	8189	8190	-0.18	
-8188	H61	SLES	1	24.2301	-7.97968	-11.1575	HAL2	8187	0	0	0	0.09	
-8189	H62	SLES	1	24.1472	-6.19369	-11.3801	HAL2	8187	0	0	0	0.09	
-8190	C7	SLES	1	22.6008	-7.31059	-12.4647	CTL2	8187	8191	8192	8193	-0.18	
-8191	H71	SLES	1	22.3712	-8.38846	-12.6171	HAL2	8190	0	0	0	0.09	
-8192	H72	SLES	1	22.5435	-6.8039	-13.4538	HAL2	8190	0	0	0	0.09	
-8193	C8	SLES	1	21.536	-6.69787	-11.5212	CTL2	8190	8194	8195	8196	-0.18	
-8194	H81	SLES	1	21.7365	-7.03472	-10.4782	HAL2	8193	0	0	0	0.09	
-8195	H82	SLES	1	21.6226	-5.58772	-11.5469	HAL2	8193	0	0	0	0.09	
-8196	C9	SLES	1	20.0932	-7.10239	-11.9152	CTL2	8193	8197	8198	8199	-0.18	
-8197	H91	SLES	1	20.0156	-8.21338	-11.918	HAL2	8196	0	0	0	0.09	
-8198	H92	SLES	1	19.8841	-6.74092	-12.9472	HAL2	8196	0	0	0	0.09	
-8199	C10	SLES	1	19.0284	-6.52503	-10.9528	CTL2	8196	8200	8201	8202	-0.18	
-8200	H10	SLES	1	19.2236	-6.90525	-9.92413	HAL2	8199	0	0	0	0.09	
-8201	H10	SLES	1	19.12	-5.41542	-10.9325	HAL2	8199	0	0	0	0.09	
-8202	C11	SLES	1	17.5828	-6.90667	-11.3681	CTL2	8199	8203	8204	8205	-0.18	
-8203	H11	SLES	1	17.4944	-8.01714	-11.3802	HAL2	8202	0	0	0	0.09	
-8204	H11	SLES	1	17.3985	-6.54015	-12.4037	HAL2	8202	0	0	0	0.09	
-8205	C12	SLES	1	16.4903	-6.32858	-10.4316	CTL3	8202	8206	8207	8208	-0.27	
-8206	H12	SLES	1	15.8901	-7.15121	-9.984	HAL3	8205	0	0	0	0.09	
-8207	H12	SLES	1	15.807	-5.66067	-11.0011	HAL3	8205	0	0	0	0.09	
-8208	H12	SLES	1	16.9557	-5.74186	-9.60987	HAL3	8205	0	0	0	0.09	
-8209	NA	SLES	1	28.7581	-23.8948	-23.5393	NA	0	0	0	0	1	
-8210	S	SLES	1	29.8814	-23.2146	-20.1296	SL	8211	8212	8213	8214	1.33	
-8211	OS1	SLES	1	28.4643	-22.6186	-20.7961	OSL	8210	8215	0	0	-0.28	
-8212	OS2	SLES	1	29.801	-24.6576	-20.2227	O2L	8210	0	0	0	-0.65	
-8213	OS3	SLES	1	30.9569	-22.7264	-20.9671	O2L	8210	0	0	0	-0.65	
-8214	OS4	SLES	1	30.1109	-22.8193	-18.7492	O2L	8210	0	0	0	-0.65	
-8215	C2	SLES	1	27.6366	-21.961	-19.7459	CC32A	8211	8216	8217	8218	-0.11	
-8216	H2A	SLES	1	27.4387	-22.6701	-18.8944	HCA2	8215	0	0	0	0.09	
-8217	H2B	SLES	1	28.1997	-21.0691	-19.3539	HCA2	8215	0	0	0	0.09	
-8218	C1	SLES	1	26.2478	-21.4851	-20.3867	CC32A	8215	8219	8220	8221	-0.01	
-8219	H1B	SLES	1	25.7287	-22.3534	-20.8541	HCA2	8218	0	0	0	0.09	
-8220	H1A	SLES	1	26.4356	-20.7145	-21.1702	HCA2	8218	0	0	0	0.09	
-8221	O1	SLES	1	25.2019	-20.8907	-19.5319	OC30A	8218	8222	0	0	-0.34	
-8222	C2	SLES	1	25.6243	-20.3992	-18.2425	CC32A	8221	8223	8224	8225	-0.01	
-8223	H2A	SLES	1	26.0139	-21.3204	-17.7667	HCA2	8222	0	0	0	0.09	
-8224	H2B	SLES	1	26.4827	-19.7412	-18.5062	HCA2	8222	0	0	0	0.09	
-8225	C1	SLES	1	24.682	-19.6566	-17.2436	CC32A	8222	8226	8227	8228	-0.01	
-8226	H1B	SLES	1	24.2072	-20.3922	-16.5583	HCA2	8225	0	0	0	0.09	
-8227	H1A	SLES	1	25.2778	-18.9426	-16.6404	HCA2	8225	0	0	0	0.09	
-8228	O1	SLES	1	23.4995	-18.9029	-17.6639	OC30A	8225	8229	0	0	-0.34	
-8229	C1	SLES	1	23.1436	-17.766	-16.7952	CTL2	8228	8230	8231	8232	-0.18	
-8230	H11	SLES	1	23.7623	-17.8465	-15.8831	HAL2	8229	0	0	0	0.09	
-8231	H12	SLES	1	23.509	-16.9092	-17.3984	HAL2	8229	0	0	0	0.09	
-8232	C2	SLES	1	21.6338	-17.5323	-16.3927	CTL2	8229	8233	8234	8235	-0.18	
-8233	H21	SLES	1	21.0106	-18.3456	-16.8273	HAL2	8232	0	0	0	0.09	
-8234	H22	SLES	1	21.2892	-16.568	-16.8264	HAL2	8232	0	0	0	0.09	
-8235	C3	SLES	1	21.4191	-17.5007	-14.8017	CTL2	8232	8236	8237	8238	-0.18	
-8236	H31	SLES	1	20.9684	-18.4656	-14.4787	HAL2	8235	0	0	0	0.09	
-8237	H32	SLES	1	22.4054	-17.4034	-14.3058	HAL2	8235	0	0	0	0.09	
-8238	C4	SLES	1	20.4847	-16.3122	-14.3258	CTL2	8235	8239	8240	8241	-0.18	
-8239	H41	SLES	1	19.4735	-16.7148	-14.108	HAL2	8238	0	0	0	0.09	
-8240	H42	SLES	1	20.3883	-15.5717	-15.1488	HAL2	8238	0	0	0	0.09	
-8241	C5	SLES	1	21.0436	-15.5735	-13.027	CTL2	8238	8242	8243	8244	-0.18	
-8242	H51	SLES	1	21.7887	-16.2314	-12.5275	HAL2	8241	0	0	0	0.09	
-8243	H52	SLES	1	21.5654	-14.6395	-13.3373	HAL2	8241	0	0	0	0.09	
-8244	C6	SLES	1	19.9121	-15.2089	-11.9936	CTL2	8241	8245	8246	8247	-0.18	
-8245	H61	SLES	1	19.5556	-16.1416	-11.5017	HAL2	8244	0	0	0	0.09	
-8246	H62	SLES	1	20.3413	-14.5476	-11.205	HAL2	8244	0	0	0	0.09	
-8247	C7	SLES	1	18.6968	-14.4863	-12.6565	CTL2	8244	8248	8249	8250	-0.18	
-8248	H71	SLES	1	18.0348	-15.247	-13.1265	HAL2	8247	0	0	0	0.09	
-8249	H72	SLES	1	19.0684	-13.8112	-13.4592	HAL2	8247	0	0	0	0.09	
-8250	C8	SLES	1	17.8698	-13.6573	-11.6424	CTL2	8247	8251	8252	8253	-0.18	
-8251	H81	SLES	1	17.6897	-14.2718	-10.7306	HAL2	8250	0	0	0	0.09	
-8252	H82	SLES	1	18.4566	-12.7595	-11.342	HAL2	8250	0	0	0	0.09	
-8253	C9	SLES	1	16.5076	-13.201	-12.2224	CTL2	8250	8254	8255	8256	-0.18	
-8254	H91	SLES	1	15.9337	-14.0976	-12.5498	HAL2	8253	0	0	0	0.09	
-8255	H92	SLES	1	16.6893	-12.564	-13.1172	HAL2	8253	0	0	0	0.09	
-8256	C10	SLES	1	15.6608	-12.406	-11.2005	CTL2	8253	8257	8258	8259	-0.18	
-8257	H10	SLES	1	15.4591	-13.0511	-10.3152	HAL2	8256	0	0	0	0.09	
-8258	H10	SLES	1	16.2428	-11.5213	-10.856	HAL2	8256	0	0	0	0.09	
-8259	C11	SLES	1	14.3106	-11.9242	-11.7945	CTL2	8256	8260	8261	8262	-0.18	
-8260	H11	SLES	1	13.7294	-12.813	-12.1312	HAL2	8259	0	0	0	0.09	
-8261	H11	SLES	1	14.5169	-11.2944	-12.6898	HAL2	8259	0	0	0	0.09	
-8262	C12	SLES	1	13.4452	-11.1092	-10.7988	CTL3	8259	8263	8264	8265	-0.27	
-8263	H12	SLES	1	12.4623	-11.6065	-10.6441	HAL3	8262	0	0	0	0.09	
-8264	H12	SLES	1	13.2658	-10.0842	-11.1919	HAL3	8262	0	0	0	0.09	
-8265	H12	SLES	1	13.9591	-11.027	-9.81639	HAL3	8262	0	0	0	0.09	
-8266	NA	SLES	1	19.602	-31.3956	-24.1279	NA	0	0	0	0	1	
-8267	S	SLES	1	19.9984	-31.8704	-20.5268	SL	8268	8269	8270	8271	1.33	
-8268	OS1	SLES	1	19.2337	-30.5557	-21.2298	OSL	8267	8272	0	0	-0.28	
-8269	OS2	SLES	1	19.2945	-33.0482	-20.9904	O2L	8267	0	0	0	-0.65	
-8270	OS3	SLES	1	21.3519	-31.8716	-21.0413	O2L	8267	0	0	0	-0.65	
-8271	OS4	SLES	1	20.0218	-31.8475	-19.0731	O2L	8267	0	0	0	-0.65	
-8272	C2	SLES	1	18.5606	-29.7317	-20.1867	CC32A	8268	8273	8274	8275	-0.11	
-8273	H2A	SLES	1	17.8503	-30.3607	-19.5809	HCA2	8272	0	0	0	0.09	
-8274	H2B	SLES	1	19.3476	-29.3092	-19.5024	HCA2	8272	0	0	0	0.09	
-8275	C1	SLES	1	17.7584	-28.5374	-20.891	CC32A	8272	8276	8277	8278	-0.01	
-8276	H1B	SLES	1	17.0389	-28.9508	-21.6348	HCA2	8275	0	0	0	0.09	
-8277	H1A	SLES	1	18.4707	-27.8606	-21.418	HCA2	8275	0	0	0	0.09	
-8278	O1	SLES	1	16.9204	-27.6297	-20.0837	OC30A	8275	8279	0	0	-0.34	
-8279	C2	SLES	1	17.1753	-27.6081	-18.6634	CC32A	8278	8280	8281	8282	-0.01	
-8280	H2A	SLES	1	16.9647	-28.6581	-18.3807	HCA2	8279	0	0	0	0.09	
-8281	H2B	SLES	1	18.2747	-27.4384	-18.6198	HCA2	8279	0	0	0	0.09	
-8282	C1	SLES	1	16.4563	-26.6466	-17.6654	CC32A	8279	8283	8284	8285	-0.01	
-8283	H1B	SLES	1	15.5406	-27.1355	-17.2673	HCA2	8282	0	0	0	0.09	
-8284	H1A	SLES	1	17.136	-26.4229	-16.8189	HCA2	8282	0	0	0	0.09	
-8285	O1	SLES	1	15.9006	-25.3505	-18.0578	OC30A	8282	8286	0	0	-0.34	
-8286	C1	SLES	1	15.8948	-24.3275	-16.996	CTL2	8285	8287	8288	8289	-0.18	
-8287	H11	SLES	1	16.152	-24.8378	-16.0502	HAL2	8286	0	0	0	0.09	
-8288	H12	SLES	1	16.7517	-23.6922	-17.3019	HAL2	8286	0	0	0	0.09	
-8289	C2	SLES	1	14.6123	-23.4299	-16.7823	CTL2	8286	8290	8291	8292	-0.18	
-8290	H21	SLES	1	13.8208	-23.749	-17.4967	HAL2	8289	0	0	0	0.09	
-8291	H22	SLES	1	14.8701	-22.3718	-17.0071	HAL2	8289	0	0	0	0.09	
-8292	C3	SLES	1	14.0371	-23.5253	-15.2861	CTL2	8289	8293	8294	8295	-0.18	
-8293	H31	SLES	1	13.1298	-24.1695	-15.2882	HAL2	8292	0	0	0	0.09	
-8294	H32	SLES	1	14.7952	-24.0079	-14.6376	HAL2	8292	0	0	0	0.09	
-8295	C4	SLES	1	13.6624	-22.1117	-14.6748	CTL2	8292	8296	8297	8298	-0.18	
-8296	H41	SLES	1	12.5612	-21.9802	-14.7215	HAL2	8295	0	0	0	0.09	
-8297	H42	SLES	1	14.1289	-21.3126	-15.2903	HAL2	8295	0	0	0	0.09	
-8298	C5	SLES	1	14.1441	-21.949	-13.1628	CTL2	8295	8299	8300	8301	-0.18	
-8299	H51	SLES	1	14.3508	-22.9557	-12.7372	HAL2	8298	0	0	0	0.09	
-8300	H52	SLES	1	15.0948	-21.3685	-13.1455	HAL2	8298	0	0	0	0.09	
-8301	C6	SLES	1	13.0825	-21.2202	-12.2554	CTL2	8298	8302	8303	8304	-0.18	
-8302	H61	SLES	1	12.2269	-21.9087	-12.0736	HAL2	8301	0	0	0	0.09	
-8303	H62	SLES	1	13.5488	-20.9849	-11.2702	HAL2	8301	0	0	0	0.09	
-8304	C7	SLES	1	12.5466	-19.8992	-12.8925	CTL2	8301	8305	8306	8307	-0.18	
-8305	H71	SLES	1	11.7551	-20.1488	-13.6335	HAL2	8304	0	0	0	0.09	
-8306	H72	SLES	1	13.3768	-19.3932	-13.4339	HAL2	8304	0	0	0	0.09	
-8307	C8	SLES	1	11.9615	-18.9239	-11.8407	CTL2	8304	8308	8309	8310	-0.18	
-8308	H81	SLES	1	11.2943	-19.4898	-11.1508	HAL2	8307	0	0	0	0.09	
-8309	H82	SLES	1	12.7949	-18.4951	-11.2389	HAL2	8307	0	0	0	0.09	
-8310	C9	SLES	1	11.1576	-17.7684	-12.4879	CTL2	8307	8311	8312	8313	-0.18	
-8311	H91	SLES	1	10.3427	-18.1987	-13.1132	HAL2	8310	0	0	0	0.09	
-8312	H92	SLES	1	11.8321	-17.1866	-13.1556	HAL2	8310	0	0	0	0.09	
-8313	C10	SLES	1	10.5382	-16.8134	-11.4401	CTL2	8310	8314	8315	8316	-0.18	
-8314	H10	SLES	1	9.84528	-17.3909	-10.7865	HAL2	8313	0	0	0	0.09	
-8315	H10	SLES	1	11.3502	-16.3998	-10.8001	HAL2	8313	0	0	0	0.09	
-8316	C11	SLES	1	9.75962	-15.6402	-12.0923	CTL2	8313	8317	8318	8319	-0.18	
-8317	H11	SLES	1	8.94444	-16.0589	-12.7258	HAL2	8316	0	0	0	0.09	
-8318	H11	SLES	1	10.452	-15.0767	-12.7587	HAL2	8316	0	0	0	0.09	
-8319	C12	SLES	1	9.14015	-14.655	-11.0675	CTL3	8316	8320	8321	8322	-0.27	
-8320	H12	SLES	1	8.03595	-14.6094	-11.194	HAL3	8319	0	0	0	0.09	
-8321	H12	SLES	1	9.55607	-13.6336	-11.2132	HAL3	8319	0	0	0	0.09	
-8322	H12	SLES	1	9.36455	-14.9842	-10.0296	HAL3	8319	0	0	0	0.09	
-8323	NA	SLES	1	8.66923	-35.7604	-24.4565	NA	0	0	0	0	1	
-8324	S	SLES	1	7.73903	-36.5463	-21.0115	SL	8325	8326	8327	8328	1.33	
-8325	OS1	SLES	1	7.91749	-34.9927	-21.613	OSL	8324	8329	0	0	-0.28	
-8326	OS2	SLES	1	6.73415	-37.1892	-21.8328	O2L	8324	0	0	0	-0.65	
-8327	OS3	SLES	1	9.01793	-37.1995	-21.1971	O2L	8324	0	0	0	-0.65	
-8328	OS4	SLES	1	7.3496	-36.6097	-19.612	O2L	8324	0	0	0	-0.65	
-8329	C2	SLES	1	7.43909	-33.9948	-20.6152	CC32A	8325	8330	8331	8332	-0.11	
-8330	H2A	SLES	1	6.37671	-34.2128	-20.3135	HCA2	8329	0	0	0	0.09	
-8331	H2B	SLES	1	8.09662	-34.0572	-19.7041	HCA2	8329	0	0	0	0.09	
-8332	C1	SLES	1	7.53033	-32.5264	-21.2486	CC32A	8329	8333	8334	8335	-0.01	
-8333	H1B	SLES	1	6.95061	-32.487	-22.1995	HCA2	8332	0	0	0	0.09	
-8334	H1A	SLES	1	8.594	-32.272	-21.4655	HCA2	8332	0	0	0	0.09	
-8335	O1	SLES	1	7.02133	-31.3621	-20.4981	OC30A	8332	8336	0	0	-0.34	
-8336	C2	SLES	1	6.83443	-31.5409	-19.0783	CC32A	8335	8337	8338	8339	-0.01	
-8337	H2A	SLES	1	6.08605	-32.357	-19.0505	HCA2	8336	0	0	0	0.09	
-8338	H2B	SLES	1	7.81975	-31.9466	-18.756	HCA2	8336	0	0	0	0.09	
-8339	C1	SLES	1	6.39499	-30.3992	-18.1085	CC32A	8336	8340	8341	8342	-0.01	
-8340	H1B	SLES	1	5.2864	-30.383	-18.0259	HCA2	8339	0	0	0	0.09	
-8341	H1A	SLES	1	6.82318	-30.5876	-17.1036	HCA2	8339	0	0	0	0.09	
-8342	O1	SLES	1	6.64976	-28.9814	-18.369	OC30A	8339	8343	0	0	-0.34	
-8343	C1	SLES	1	6.81658	-28.1465	-17.1652	CTL2	8342	8344	8345	8346	-0.18	
-8344	H11	SLES	1	6.51992	-28.7629	-16.2974	HAL2	8343	0	0	0	0.09	
-8345	H12	SLES	1	7.91776	-28.0112	-17.1458	HAL2	8343	0	0	0	0.09	
-8346	C2	SLES	1	6.10276	-26.7393	-17.0848	CTL2	8343	8347	8348	8349	-0.18	
-8347	H21	SLES	1	5.49847	-26.5838	-18.0064	HAL2	8346	0	0	0	0.09	
-8348	H22	SLES	1	6.87766	-25.9427	-17.045	HAL2	8346	0	0	0	0.09	
-8349	C3	SLES	1	5.14569	-26.6074	-15.8022	CTL2	8346	8350	8351	8352	-0.18	
-8350	H31	SLES	1	4.08703	-26.7101	-16.1292	HAL2	8349	0	0	0	0.09	
-8351	H32	SLES	1	5.36636	-27.436	-15.1	HAL2	8349	0	0	0	0.09	
-8352	C4	SLES	1	5.31682	-25.2282	-15.0403	CTL2	8349	8353	8354	8355	-0.18	
-8353	H41	SLES	1	4.47161	-24.561	-15.3099	HAL2	8352	0	0	0	0.09	
-8354	H42	SLES	1	6.25784	-24.7407	-15.3748	HAL2	8352	0	0	0	0.09	
-8355	C5	SLES	1	5.35896	-25.403	-13.4552	CTL2	8352	8356	8357	8358	-0.18	
-8356	H51	SLES	1	4.93819	-26.3975	-13.1883	HAL2	8355	0	0	0	0.09	
-8357	H52	SLES	1	6.41962	-25.3779	-13.1156	HAL2	8355	0	0	0	0.09	
-8358	C6	SLES	1	4.55058	-24.2864	-12.6929	CTL2	8355	8359	8360	8361	-0.18	
-8359	H61	SLES	1	3.46139	-24.4622	-12.8406	HAL2	8358	0	0	0	0.09	
-8360	H62	SLES	1	4.76582	-24.3649	-11.6015	HAL2	8358	0	0	0	0.09	
-8361	C7	SLES	1	4.90416	-22.845	-13.1782	CTL2	8358	8362	8363	8364	-0.18	
-8362	H71	SLES	1	4.34009	-22.6282	-14.1123	HAL2	8361	0	0	0	0.09	
-8363	H72	SLES	1	5.99064	-22.7966	-13.4139	HAL2	8361	0	0	0	0.09	
-8364	C8	SLES	1	4.56755	-21.761	-12.1241	CTL2	8361	8365	8366	8367	-0.18	
-8365	H81	SLES	1	3.54638	-21.9501	-11.7205	HAL2	8364	0	0	0	0.09	
-8366	H82	SLES	1	5.29058	-21.837	-11.2803	HAL2	8364	0	0	0	0.09	
-8367	C9	SLES	1	4.62268	-20.328	-12.7105	CTL2	8364	8368	8369	8370	-0.18	
-8368	H91	SLES	1	3.92115	-20.2614	-13.5729	HAL2	8367	0	0	0	0.09	
-8369	H92	SLES	1	5.65105	-20.1299	-13.0883	HAL2	8367	0	0	0	0.09	
-8370	C10	SLES	1	4.24904	-19.2441	-11.6718	CTL2	8367	8371	8372	8373	-0.18	
-8371	H10	SLES	1	3.21148	-19.4286	-11.3109	HAL2	8370	0	0	0	0.09	
-8372	H10	SLES	1	4.93613	-19.3245	-10.7991	HAL2	8370	0	0	0	0.09	
-8373	C11	SLES	1	4.33514	-17.8083	-12.254	CTL2	8370	8374	8375	8376	-0.18	
-8374	H11	SLES	1	3.64118	-17.731	-13.1221	HAL2	8373	0	0	0	0.09	
-8375	H11	SLES	1	5.36941	-17.635	-12.6298	HAL2	8373	0	0	0	0.09	
-8376	C12	SLES	1	3.9822	-16.6971	-11.2316	CTL3	8373	8377	8378	8379	-0.27	
-8377	H12	SLES	1	3.11739	-16.0988	-11.5942	HAL3	8376	0	0	0	0.09	
-8378	H12	SLES	1	4.84917	-16.0153	-11.0871	HAL3	8376	0	0	0	0.09	
-8379	H12	SLES	1	3.71618	-17.1451	-10.2494	HAL3	8376	0	0	0	0.09	
-8380	NA	SLES	1	-3.17412	-36.6026	-24.541	NA	0	0	0	0	1	
-8381	S	SLES	1	-5.31386	-36.6483	-21.5796	SL	8382	8383	8384	8385	1.33	
-8382	OS1	SLES	1	-4.23937	-35.4179	-21.9522	OSL	8381	8386	0	0	-0.28	
-8383	OS2	SLES	1	-6.21958	-36.7542	-22.7047	O2L	8381	0	0	0	-0.65	
-8384	OS3	SLES	1	-4.5217	-37.8554	-21.47	O2L	8381	0	0	0	-0.65	
-8385	OS4	SLES	1	-6.06844	-36.4389	-20.3543	O2L	8381	0	0	0	-0.65	
-8386	C2	SLES	1	-4.43669	-34.2636	-21.0308	CC32A	8382	8387	8388	8389	-0.11	
-8387	H2A	SLES	1	-5.50638	-33.9139	-21.0558	HCA2	8386	0	0	0	0.09	
-8388	H2B	SLES	1	-4.18597	-34.5945	-19.9849	HCA2	8386	0	0	0	0.09	
-8389	C1	SLES	1	-3.46639	-33.0659	-21.4664	CC32A	8386	8390	8391	8392	-0.01	
-8390	H1B	SLES	1	-3.65261	-32.7953	-22.5313	HCA2	8389	0	0	0	0.09	
-8391	H1A	SLES	1	-2.40234	-33.3802	-21.3564	HCA2	8389	0	0	0	0.09	
-8392	O1	SLES	1	-3.53712	-31.7648	-20.7735	OC30A	8389	8393	0	0	-0.34	
-8393	C2	SLES	1	-4.18632	-31.7544	-19.4847	CC32A	8392	8394	8395	8396	-0.01	
-8394	H2A	SLES	1	-5.20841	-32.0931	-19.7444	HCA2	8393	0	0	0	0.09	
-8395	H2B	SLES	1	-3.66241	-32.5756	-18.9457	HCA2	8393	0	0	0	0.09	
-8396	C1	SLES	1	-4.27359	-30.4958	-18.5651	CC32A	8393	8397	8398	8399	-0.01	
-8397	H1B	SLES	1	-5.20477	-29.9313	-18.7892	HCA2	8396	0	0	0	0.09	
-8398	H1A	SLES	1	-4.30037	-30.8184	-17.5049	HCA2	8396	0	0	0	0.09	
-8399	O1	SLES	1	-3.30005	-29.4034	-18.6041	OC30A	8396	8400	0	0	-0.34	
-8400	C1	SLES	1	-3.10297	-28.6979	-17.3245	CTL2	8399	8401	8402	8403	-0.18	
-8401	H11	SLES	1	-3.89662	-29.0422	-16.6369	HAL2	8400	0	0	0	0.09	
-8402	H12	SLES	1	-2.13373	-29.122	-16.9899	HAL2	8400	0	0	0	0.09	
-8403	C2	SLES	1	-3.03228	-27.1197	-17.3047	CTL2	8400	8404	8405	8406	-0.18	
-8404	H21	SLES	1	-3.19082	-26.7347	-18.3369	HAL2	8403	0	0	0	0.09	
-8405	H22	SLES	1	-2.01718	-26.8075	-16.975	HAL2	8403	0	0	0	0.09	
-8406	C3	SLES	1	-4.12713	-26.4671	-16.328	CTL2	8403	8407	8408	8409	-0.18	
-8407	H31	SLES	1	-4.95704	-26.0516	-16.9419	HAL2	8406	0	0	0	0.09	
-8408	H32	SLES	1	-4.54901	-27.2591	-15.6777	HAL2	8406	0	0	0	0.09	
-8409	C4	SLES	1	-3.53521	-25.3138	-15.416	CTL2	8406	8410	8411	8412	-0.18	
-8410	H41	SLES	1	-3.83166	-24.3318	-15.8403	HAL2	8409	0	0	0	0.09	
-8411	H42	SLES	1	-2.42546	-25.3714	-15.4291	HAL2	8409	0	0	0	0.09	
-8412	C5	SLES	1	-4.04088	-25.4042	-13.9057	CTL2	8409	8413	8414	8415	-0.18	
-8413	H51	SLES	1	-4.94786	-26.047	-13.8644	HAL2	8412	0	0	0	0.09	
-8414	H52	SLES	1	-3.25057	-25.8874	-13.287	HAL2	8412	0	0	0	0.09	
-8415	C6	SLES	1	-4.38535	-23.9965	-13.2885	CTL2	8412	8416	8417	8418	-0.18	
-8416	H61	SLES	1	-5.32754	-23.6202	-13.7465	HAL2	8415	0	0	0	0.09	
-8417	H62	SLES	1	-4.5594	-24.1141	-12.1933	HAL2	8415	0	0	0	0.09	
-8418	C7	SLES	1	-3.25411	-22.9438	-13.5131	CTL2	8415	8419	8420	8421	-0.18	
-8419	H71	SLES	1	-3.34608	-22.5259	-14.5401	HAL2	8418	0	0	0	0.09	
-8420	H72	SLES	1	-2.26583	-23.4493	-13.4351	HAL2	8418	0	0	0	0.09	
-8421	C8	SLES	1	-3.30874	-21.7817	-12.4903	CTL2	8418	8422	8423	8424	-0.18	
-8422	H81	SLES	1	-4.35966	-21.4218	-12.4037	HAL2	8421	0	0	0	0.09	
-8423	H82	SLES	1	-2.99125	-22.1602	-11.4921	HAL2	8421	0	0	0	0.09	
-8424	C9	SLES	1	-2.39898	-20.5945	-12.8944	CTL2	8421	8425	8426	8427	-0.18	
-8425	H91	SLES	1	-2.69795	-20.2356	-13.9055	HAL2	8424	0	0	0	0.09	
-8426	H92	SLES	1	-1.34514	-20.9487	-12.9535	HAL2	8424	0	0	0	0.09	
-8427	C10	SLES	1	-2.47982	-19.415	-11.8966	CTL2	8424	8428	8429	8430	-0.18	
-8428	H10	SLES	1	-3.52974	-19.0453	-11.8548	HAL2	8427	0	0	0	0.09	
-8429	H10	SLES	1	-2.20237	-19.7781	-10.8811	HAL2	8427	0	0	0	0.09	
-8430	C11	SLES	1	-1.54431	-18.2404	-12.2879	CTL2	8427	8431	8432	8433	-0.18	
-8431	H11	SLES	1	-1.83023	-17.8764	-13.3012	HAL2	8430	0	0	0	0.09	
-8432	H11	SLES	1	-0.498253	-18.619	-12.3459	HAL2	8430	0	0	0	0.09	
-8433	C12	SLES	1	-1.5901	-17.0483	-11.2973	CTL3	8430	8434	8435	8436	-0.27	
-8434	H12	SLES	1	-1.90944	-16.1213	-11.8227	HAL3	8433	0	0	0	0.09	
-8435	H12	SLES	1	-0.584823	-16.8757	-10.8534	HAL3	8433	0	0	0	0.09	
-8436	H12	SLES	1	-2.30952	-17.2554	-10.4753	HAL3	8433	0	0	0	0.09	
-8437	NA	SLES	1	-14.9349	-33.6509	-24.4264	NA	0	0	0	0	1	
-8438	S	SLES	1	-17.4697	-32.2217	-22.2167	SL	8439	8440	8441	8442	1.33	
-8439	OS1	SLES	1	-15.8673	-31.734	-22.2593	OSL	8438	8443	0	0	-0.28	
-8440	OS2	SLES	1	-17.9876	-32.0402	-23.5569	O2L	8438	0	0	0	-0.65	
-8441	OS3	SLES	1	-17.4532	-33.6304	-21.882	O2L	8438	0	0	0	-0.65	
-8442	OS4	SLES	1	-18.2952	-31.4966	-21.2642	O2L	8438	0	0	0	-0.65	
-8443	C2	SLES	1	-15.679	-30.5074	-21.4346	CC32A	8439	8444	8445	8446	-0.11	
-8444	H2A	SLES	1	-16.379	-29.6921	-21.7699	HCA2	8443	0	0	0	0.09	
-8445	H2B	SLES	1	-15.9025	-30.7609	-20.3612	HCA2	8443	0	0	0	0.09	
-8446	C1	SLES	1	-14.1632	-30.0067	-21.5679	CC32A	8443	8447	8448	8449	-0.01	
-8447	H1B	SLES	1	-13.9123	-29.8393	-22.6406	HCA2	8446	0	0	0	0.09	
-8448	H1A	SLES	1	-13.4714	-30.7764	-21.1529	HCA2	8446	0	0	0	0.09	
-8449	O1	SLES	1	-13.7388	-28.7482	-20.9247	OC30A	8446	8450	0	0	-0.34	
-8450	C2	SLES	1	-14.5938	-28.2364	-19.8808	CC32A	8449	8451	8452	8453	-0.01	
-8451	H2A	SLES	1	-15.5432	-28.0726	-20.4273	HCA2	8450	0	0	0	0.09	
-8452	H2B	SLES	1	-14.7119	-29.1194	-19.2132	HCA2	8450	0	0	0	0.09	
-8453	C1	SLES	1	-14.2615	-26.9732	-19.0257	CC32A	8450	8454	8455	8456	-0.01	
-8454	H1B	SLES	1	-14.6885	-26.0687	-19.511	HCA2	8453	0	0	0	0.09	
-8455	H1A	SLES	1	-14.7134	-27.0832	-18.0196	HCA2	8453	0	0	0	0.09	
-8456	O1	SLES	1	-12.8961	-26.5068	-18.7787	OC30A	8453	8457	0	0	-0.34	
-8457	C1	SLES	1	-12.6991	-25.8057	-17.4967	CTL2	8456	8458	8459	8460	-0.18	
-8458	H11	SLES	1	-13.7012	-25.6183	-17.0703	HAL2	8457	0	0	0	0.09	
-8459	H12	SLES	1	-12.1975	-26.5912	-16.8945	HAL2	8457	0	0	0	0.09	
-8460	C2	SLES	1	-11.8484	-24.475	-17.4561	CTL2	8457	8461	8462	8463	-0.18	
-8461	H21	SLES	1	-11.5249	-24.2174	-18.4894	HAL2	8460	0	0	0	0.09	
-8462	H22	SLES	1	-10.9357	-24.648	-16.8448	HAL2	8460	0	0	0	0.09	
-8463	C3	SLES	1	-12.6683	-23.2393	-16.8402	CTL2	8460	8464	8465	8466	-0.18	
-8464	H31	SLES	1	-12.9889	-22.5695	-17.669	HAL2	8463	0	0	0	0.09	
-8465	H32	SLES	1	-13.5804	-23.6235	-16.3415	HAL2	8463	0	0	0	0.09	
-8466	C4	SLES	1	-11.8266	-22.3965	-15.7946	CTL2	8463	8467	8468	8469	-0.18	
-8467	H41	SLES	1	-11.4684	-21.4679	-16.2862	HAL2	8466	0	0	0	0.09	
-8468	H42	SLES	1	-10.9363	-22.9846	-15.4839	HAL2	8466	0	0	0	0.09	
-8469	C5	SLES	1	-12.6698	-22.0086	-14.4971	CTL2	8466	8470	8471	8472	-0.18	
-8470	H51	SLES	1	-13.7537	-22.1188	-14.7222	HAL2	8469	0	0	0	0.09	
-8471	H52	SLES	1	-12.4173	-22.717	-13.6753	HAL2	8469	0	0	0	0.09	
-8472	C6	SLES	1	-12.3984	-20.5367	-14.006	CTL2	8469	8473	8474	8475	-0.18	
-8473	H61	SLES	1	-12.8707	-19.8236	-14.7184	HAL2	8472	0	0	0	0.09	
-8474	H62	SLES	1	-12.8771	-20.3935	-13.0092	HAL2	8472	0	0	0	0.09	
-8475	C7	SLES	1	-10.8762	-20.2081	-13.8907	CTL2	8472	8476	8477	8478	-0.18	
-8476	H71	SLES	1	-10.4825	-19.9536	-14.8996	HAL2	8475	0	0	0	0.09	
-8477	H72	SLES	1	-10.3354	-21.1108	-13.5285	HAL2	8475	0	0	0	0.09	
-8478	C8	SLES	1	-10.5916	-19.0289	-12.9274	CTL2	8475	8479	8480	8481	-0.18	
-8479	H81	SLES	1	-11.2991	-18.1975	-13.1504	HAL2	8478	0	0	0	0.09	
-8480	H82	SLES	1	-10.772	-19.3627	-11.8802	HAL2	8478	0	0	0	0.09	
-8481	C9	SLES	1	-9.13914	-18.5034	-13.0481	CTL2	8478	8482	8483	8484	-0.18	
-8482	H91	SLES	1	-8.95016	-18.1974	-14.1022	HAL2	8481	0	0	0	0.09	
-8483	H92	SLES	1	-8.43329	-19.3272	-12.7979	HAL2	8481	0	0	0	0.09	
-8484	C10	SLES	1	-8.86116	-17.3002	-12.1163	CTL2	8481	8485	8486	8487	-0.18	
-8485	H10	SLES	1	-9.55157	-16.4674	-12.3819	HAL2	8484	0	0	0	0.09	
-8486	H10	SLES	1	-9.07119	-17.5988	-11.0643	HAL2	8484	0	0	0	0.09	
-8487	C11	SLES	1	-7.39702	-16.7962	-12.2173	CTL2	8484	8488	8489	8490	-0.18	
-8488	H11	SLES	1	-7.19404	-16.4923	-13.2697	HAL2	8487	0	0	0	0.09	
-8489	H11	SLES	1	-6.71019	-17.6371	-11.9684	HAL2	8487	0	0	0	0.09	
-8490	C12	SLES	1	-7.08187	-15.6	-11.2822	CTL3	8487	8491	8492	8493	-0.27	
-8491	H12	SLES	1	-6.74491	-14.7226	-11.8772	HAL3	8490	0	0	0	0.09	
-8492	H12	SLES	1	-6.27659	-15.872	-10.5647	HAL3	8490	0	0	0	0.09	
-8493	H12	SLES	1	-7.98727	-15.3104	-10.7056	HAL3	8490	0	0	0	0.09	
-8494	NA	SLES	1	-25.4167	-26.8574	-24.1817	NA	0	0	0	0	1	
-8495	S	SLES	1	-27.1972	-23.9354	-22.9002	SL	8496	8497	8498	8499	1.33	
-8496	OS1	SLES	1	-25.5996	-24.2992	-22.5501	OSL	8495	8500	0	0	-0.28	
-8497	OS2	SLES	1	-27.286	-23.8326	-24.3421	O2L	8495	0	0	0	-0.65	
-8498	OS3	SLES	1	-27.9779	-25.064	-22.4382	O2L	8495	0	0	0	-0.65	
-8499	OS4	SLES	1	-27.6852	-22.7114	-22.2854	O2L	8495	0	0	0	-0.65	
-8500	C2	SLES	1	-24.9578	-23.1642	-21.8288	CC32A	8496	8501	8502	8503	-0.11	
-8501	H2A	SLES	1	-25.0554	-22.2117	-22.4206	HCA2	8500	0	0	0	0.09	
-8502	H2B	SLES	1	-25.4751	-23.0323	-20.8382	HCA2	8500	0	0	0	0.09	
-8503	C1	SLES	1	-23.409	-23.4958	-21.5903	CC32A	8500	8504	8505	8506	-0.01	
-8504	H1B	SLES	1	-22.9136	-23.7138	-22.5645	HCA2	8503	0	0	0	0.09	
-8505	H1A	SLES	1	-23.3092	-24.3879	-20.929	HCA2	8503	0	0	0	0.09	
-8506	O1	SLES	1	-22.52	-22.4874	-20.9813	OC30A	8503	8507	0	0	-0.34	
-8507	C2	SLES	1	-23.1605	-21.4099	-20.2664	CC32A	8506	8508	8509	8510	-0.01	
-8508	H2A	SLES	1	-23.7657	-20.9379	-21.065	HCA2	8507	0	0	0	0.09	
-8509	H2B	SLES	1	-23.8419	-21.9534	-19.5738	HCA2	8507	0	0	0	0.09	
-8510	C1	SLES	1	-22.3854	-20.3061	-19.4802	CC32A	8507	8511	8512	8513	-0.01	
-8511	H1B	SLES	1	-22.1811	-19.4422	-20.1495	HCA2	8510	0	0	0	0.09	
-8512	H1A	SLES	1	-23.006	-19.9579	-18.6304	HCA2	8510	0	0	0	0.09	
-8513	O1	SLES	1	-21.0502	-20.5097	-18.9157	OC30A	8510	8514	0	0	-0.34	
-8514	C1	SLES	1	-20.7593	-19.7226	-17.7033	CTL2	8513	8515	8516	8517	-0.18	
-8515	H11	SLES	1	-21.5766	-18.9878	-17.5879	HAL2	8514	0	0	0	0.09	
-8516	H12	SLES	1	-20.8612	-20.4951	-16.9133	HAL2	8514	0	0	0	0.09	
-8517	C2	SLES	1	-19.3656	-18.992	-17.5613	CTL2	8514	8518	8519	8520	-0.18	
-8518	H21	SLES	1	-18.7703	-19.1594	-18.4867	HAL2	8517	0	0	0	0.09	
-8519	H22	SLES	1	-18.808	-19.4397	-16.7097	HAL2	8517	0	0	0	0.09	
-8520	C3	SLES	1	-19.5211	-17.4126	-17.3168	CTL2	8517	8521	8522	8523	-0.18	
-8521	H31	SLES	1	-19.2865	-16.8757	-18.2628	HAL2	8520	0	0	0	0.09	
-8522	H32	SLES	1	-20.5739	-17.1899	-17.0517	HAL2	8520	0	0	0	0.09	
-8523	C4	SLES	1	-18.5751	-16.8672	-16.168	CTL2	8520	8524	8525	8526	-0.18	
-8524	H41	SLES	1	-17.7024	-16.3608	-16.6308	HAL2	8523	0	0	0	0.09	
-8525	H42	SLES	1	-18.1962	-17.7237	-15.5698	HAL2	8523	0	0	0	0.09	
-8526	C5	SLES	1	-19.3173	-15.8438	-15.195	CTL2	8523	8527	8528	8529	-0.18	
-8527	H51	SLES	1	-20.2365	-15.4679	-15.6963	HAL2	8526	0	0	0	0.09	
-8528	H52	SLES	1	-19.6275	-16.3823	-14.2706	HAL2	8526	0	0	0	0.09	
-8529	C6	SLES	1	-18.4168	-14.615	-14.7942	CTL2	8526	8530	8531	8532	-0.18	
-8530	H61	SLES	1	-18.3077	-13.9426	-15.6746	HAL2	8529	0	0	0	0.09	
-8531	H62	SLES	1	-18.9265	-14.0412	-13.9853	HAL2	8529	0	0	0	0.09	
-8532	C7	SLES	1	-16.9981	-15.0401	-14.2993	CTL2	8529	8533	8534	8535	-0.18	
-8533	H71	SLES	1	-16.3503	-15.2384	-15.1818	HAL2	8532	0	0	0	0.09	
-8534	H72	SLES	1	-17.0836	-15.9845	-13.7169	HAL2	8532	0	0	0	0.09	
-8535	C8	SLES	1	-16.3264	-13.9605	-13.4145	CTL2	8532	8536	8537	8538	-0.18	
-8536	H81	SLES	1	-16.4428	-12.9656	-13.9026	HAL2	8535	0	0	0	0.09	
-8537	H82	SLES	1	-16.8447	-13.9232	-12.4294	HAL2	8535	0	0	0	0.09	
-8538	C9	SLES	1	-14.8197	-14.2379	-13.1838	CTL2	8535	8539	8540	8541	-0.18	
-8539	H91	SLES	1	-14.3075	-14.3044	-14.1705	HAL2	8538	0	0	0	0.09	
-8540	H92	SLES	1	-14.7059	-15.2195	-12.671	HAL2	8538	0	0	0	0.09	
-8541	C10	SLES	1	-14.1352	-13.1417	-12.3333	CTL2	8538	8542	8543	8544	-0.18	
-8542	H10	SLES	1	-14.2287	-12.1634	-12.8576	HAL2	8541	0	0	0	0.09	
-8543	H10	SLES	1	-14.6608	-13.0593	-11.355	HAL2	8541	0	0	0	0.09	
-8544	C11	SLES	1	-12.6336	-13.4385	-12.0784	CTL2	8541	8545	8546	8547	-0.18	
-8545	H11	SLES	1	-12.1111	-13.5132	-13.0595	HAL2	8544	0	0	0	0.09	
-8546	H11	SLES	1	-12.5443	-14.4258	-11.5703	HAL2	8544	0	0	0	0.09	
-8547	C12	SLES	1	-11.9224	-12.3655	-11.2139	CTL3	8544	8548	8549	8550	-0.27	
-8548	H12	SLES	1	-11.0749	-11.9154	-11.7765	HAL3	8547	0	0	0	0.09	
-8549	H12	SLES	1	-11.5255	-12.822	-10.2804	HAL3	8547	0	0	0	0.09	
-8550	H12	SLES	1	-12.6338	-11.5568	-10.9381	HAL3	8547	0	0	0	0.09	
-8551	NA	SLES	1	-33.256	-16.5917	-23.8922	NA	0	0	0	0	1	
-8552	S	SLES	1	-33.3506	-12.9507	-23.6015	SL	8553	8554	8555	8556	1.33	
-8553	OS1	SLES	1	-32.2248	-13.9321	-22.8419	OSL	8552	8557	0	0	-0.28	
-8554	OS2	SLES	1	-33.2322	-13.2159	-25.0204	O2L	8552	0	0	0	-0.65	
-8555	OS3	SLES	1	-34.6481	-13.3836	-23.1264	O2L	8552	0	0	0	-0.65	
-8556	OS4	SLES	1	-33.1798	-11.5292	-23.3474	O2L	8552	0	0	0	-0.65	
-8557	C2	SLES	1	-31.1559	-13.1033	-22.2168	CC32A	8553	8558	8559	8560	-0.11	
-8558	H2A	SLES	1	-30.6808	-12.4261	-22.9803	HCA2	8557	0	0	0	0.09	
-8559	H2B	SLES	1	-31.6198	-12.4724	-21.4087	HCA2	8557	0	0	0	0.09	
-8560	C1	SLES	1	-30.0436	-14.0647	-21.581	CC32A	8557	8561	8562	8563	-0.01	
-8561	H1B	SLES	1	-29.6451	-14.7521	-22.3624	HCA2	8560	0	0	0	0.09	
-8562	H1A	SLES	1	-30.4918	-14.6737	-20.7615	HCA2	8560	0	0	0	0.09	
-8563	O1	SLES	1	-28.8213	-13.4918	-20.9846	OC30A	8560	8564	0	0	-0.34	
-8564	C2	SLES	1	-28.8661	-12.0907	-20.6419	CC32A	8563	8565	8566	8567	-0.01	
-8565	H2A	SLES	1	-29.0525	-11.6231	-21.6285	HCA2	8564	0	0	0	0.09	
-8566	H2B	SLES	1	-29.7946	-12.0227	-20.0315	HCA2	8564	0	0	0	0.09	
-8567	C1	SLES	1	-27.707	-11.3348	-19.919	CC32A	8564	8568	8569	8570	-0.01	
-8568	H1B	SLES	1	-27.0158	-10.8989	-20.6728	HCA2	8567	0	0	0	0.09	
-8569	H1A	SLES	1	-28.1311	-10.5126	-19.3085	HCA2	8567	0	0	0	0.09	
-8570	O1	SLES	1	-26.7397	-11.9973	-19.0425	OC30A	8567	8571	0	0	-0.34	
-8571	C1	SLES	1	-26.1976	-11.1534	-17.9618	CTL2	8570	8572	8573	8574	-0.18	
-8572	H11	SLES	1	-26.5138	-10.1151	-18.1693	HAL2	8571	0	0	0	0.09	
-8573	H12	SLES	1	-26.7659	-11.5301	-17.0863	HAL2	8571	0	0	0	0.09	
-8574	C2	SLES	1	-24.6493	-11.1834	-17.6483	CTL2	8571	8575	8576	8577	-0.18	
-8575	H21	SLES	1	-24.1444	-11.8639	-18.37	HAL2	8574	0	0	0	0.09	
-8576	H22	SLES	1	-24.4954	-11.5933	-16.6262	HAL2	8574	0	0	0	0.09	
-8577	C3	SLES	1	-23.9749	-9.72905	-17.7396	CTL2	8574	8578	8579	8580	-0.18	
-8578	H31	SLES	1	-23.403	-9.65506	-18.6913	HAL2	8577	0	0	0	0.09	
-8579	H32	SLES	1	-24.7736	-8.96115	-17.7625	HAL2	8577	0	0	0	0.09	
-8580	C4	SLES	1	-22.9997	-9.42095	-16.5287	CTL2	8577	8581	8582	8583	-0.18	
-8581	H41	SLES	1	-21.9512	-9.54973	-16.8696	HAL2	8580	0	0	0	0.09	
-8582	H42	SLES	1	-23.1871	-10.153	-15.7138	HAL2	8580	0	0	0	0.09	
-8583	C5	SLES	1	-23.1838	-7.94512	-15.9518	CTL2	8580	8584	8585	8586	-0.18	
-8584	H51	SLES	1	-23.715	-7.32395	-16.7063	HAL2	8583	0	0	0	0.09	
-8585	H52	SLES	1	-23.8183	-7.98972	-15.0373	HAL2	8583	0	0	0	0.09	
-8586	C6	SLES	1	-21.8158	-7.25147	-15.5927	CTL2	8583	8587	8588	8589	-0.18	
-8587	H61	SLES	1	-21.2853	-6.98603	-16.5346	HAL2	8586	0	0	0	0.09	
-8588	H62	SLES	1	-22.0236	-6.30666	-15.038	HAL2	8586	0	0	0	0.09	
-8589	C7	SLES	1	-20.8875	-8.15745	-14.7233	CTL2	8586	8590	8591	8592	-0.18	
-8590	H71	SLES	1	-20.3587	-8.87726	-15.3866	HAL2	8589	0	0	0	0.09	
-8591	H72	SLES	1	-21.5122	-8.74154	-14.0113	HAL2	8589	0	0	0	0.09	
-8592	C8	SLES	1	-19.8382	-7.34458	-13.9248	CTL2	8589	8593	8594	8595	-0.18	
-8593	H81	SLES	1	-19.3669	-6.59483	-14.6009	HAL2	8592	0	0	0	0.09	
-8594	H82	SLES	1	-20.3521	-6.79331	-13.1047	HAL2	8592	0	0	0	0.09	
-8595	C9	SLES	1	-18.7324	-8.24269	-13.3158	CTL2	8592	8596	8597	8598	-0.18	
-8596	H91	SLES	1	-18.2388	-8.81574	-14.1333	HAL2	8595	0	0	0	0.09	
-8597	H92	SLES	1	-19.2013	-8.97341	-12.6189	HAL2	8595	0	0	0	0.09	
-8598	C10	SLES	1	-17.6602	-7.43167	-12.5502	CTL2	8595	8599	8600	8601	-0.18	
-8599	H10	SLES	1	-17.1746	-6.71664	-13.2529	HAL2	8598	0	0	0	0.09	
-8600	H10	SLES	1	-18.1559	-6.84125	-11.7466	HAL2	8598	0	0	0	0.09	
-8601	C11	SLES	1	-16.5712	-8.33683	-11.9156	CTL2	8598	8602	8603	8604	-0.18	
-8602	H11	SLES	1	-16.0738	-8.9201	-12.724	HAL2	8601	0	0	0	0.09	
-8603	H11	SLES	1	-17.0634	-9.06168	-11.2277	HAL2	8601	0	0	0	0.09	
-8604	C12	SLES	1	-15.4899	-7.55412	-11.1265	CTL3	8601	8605	8606	8607	-0.27	
-8605	H12	SLES	1	-14.4826	-7.74478	-11.5581	HAL3	8604	0	0	0	0.09	
-8606	H12	SLES	1	-15.4845	-7.87105	-10.0602	HAL3	8604	0	0	0	0.09	
-8607	H12	SLES	1	-15.6933	-6.46195	-11.1704	HAL3	8604	0	0	0	0.09	
-8608	NA	SLES	1	-37.1244	-3.81917	-23.649	NA	0	0	0	0	1	
-8609	S	SLES	1	-35.3063	-0.715161	-24.2893	SL	8610	8611	8612	8613	1.33	
-8610	OS1	SLES	1	-34.854	-1.85994	-23.1525	OSL	8609	8614	0	0	-0.28	
-8611	OS2	SLES	1	-35.3491	-1.40062	-25.5643	O2L	8609	0	0	0	-0.65	
-8612	OS3	SLES	1	-36.6373	-0.282733	-23.9179	O2L	8609	0	0	0	-0.65	
-8613	OS4	SLES	1	-34.4186	0.433438	-24.374	O2L	8609	0	0	0	-0.65	
-8614	C2	SLES	1	-33.5073	-1.53718	-22.6025	CC32A	8610	8615	8616	8617	-0.11	
-8615	H2A	SLES	1	-32.752	-1.44229	-23.4317	HCA2	8614	0	0	0	0.09	
-8616	H2B	SLES	1	-33.5711	-0.556769	-22.0538	HCA2	8614	0	0	0	0.09	
-8617	C1	SLES	1	-33.0566	-2.69469	-21.5911	CC32A	8614	8618	8619	8620	-0.01	
-8618	H1B	SLES	1	-33.0779	-3.68075	-22.1097	HCA2	8617	0	0	0	0.09	
-8619	H1A	SLES	1	-33.7532	-2.73116	-20.7213	HCA2	8617	0	0	0	0.09	
-8620	O1	SLES	1	-31.7125	-2.66577	-20.9825	OC30A	8617	8621	0	0	-0.34	
-8621	C2	SLES	1	-31.019	-1.40045	-21.009	CC32A	8620	8622	8623	8624	-0.01	
-8622	H2A	SLES	1	-30.9384	-1.21038	-22.0973	HCA2	8621	0	0	0	0.09	
-8623	H2B	SLES	1	-31.7736	-0.704474	-20.5783	HCA2	8621	0	0	0	0.09	
-8624	C1	SLES	1	-29.633	-1.15408	-20.3341	CC32A	8621	8625	8626	8627	-0.01	
-8625	H1B	SLES	1	-28.819	-1.36138	-21.0623	HCA2	8624	0	0	0	0.09	
-8626	H1A	SLES	1	-29.5639	-0.0944024	-20.0164	HCA2	8624	0	0	0	0.09	
-8627	O1	SLES	1	-29.1493	-1.92547	-19.1879	OC30A	8624	8628	0	0	-0.34	
-8628	C1	SLES	1	-28.2425	-1.19539	-18.283	CTL2	8627	8629	8630	8631	-0.18	
-8629	H11	SLES	1	-27.972	-0.24945	-18.7862	HAL2	8628	0	0	0	0.09	
-8630	H12	SLES	1	-28.9203	-0.966048	-17.435	HAL2	8628	0	0	0	0.09	
-8631	C2	SLES	1	-26.9355	-1.9035	-17.7475	CTL2	8628	8632	8633	8634	-0.18	
-8632	H21	SLES	1	-26.8622	-2.91993	-18.1951	HAL2	8631	0	0	0	0.09	
-8633	H22	SLES	1	-27.0137	-2.01995	-16.6444	HAL2	8631	0	0	0	0.09	
-8634	C3	SLES	1	-25.6023	-1.07959	-18.0969	CTL2	8631	8635	8636	8637	-0.18	
-8635	H31	SLES	1	-25.0795	-1.57995	-18.9423	HAL2	8634	0	0	0	0.09	
-8636	H32	SLES	1	-25.8839	-0.0598614	-18.4272	HAL2	8634	0	0	0	0.09	
-8637	C4	SLES	1	-24.6046	-0.965916	-16.8706	CTL2	8634	8638	8639	8640	-0.18	
-8638	H41	SLES	1	-23.7783	-1.69373	-17.0105	HAL2	8637	0	0	0	0.09	
-8639	H42	SLES	1	-25.1429	-1.23462	-15.9361	HAL2	8637	0	0	0	0.09	
-8640	C5	SLES	1	-23.9903	0.497698	-16.712	CTL2	8637	8641	8642	8643	-0.18	
-8641	H51	SLES	1	-24.1229	1.05258	-17.667	HAL2	8640	0	0	0	0.09	
-8642	H52	SLES	1	-24.5514	1.04263	-15.9189	HAL2	8640	0	0	0	0.09	
-8643	C6	SLES	1	-22.4599	0.483816	-16.3391	CTL2	8640	8644	8645	8646	-0.18	
-8644	H61	SLES	1	-21.8725	0.163302	-17.2287	HAL2	8643	0	0	0	0.09	
-8645	H62	SLES	1	-22.1425	1.51928	-16.0735	HAL2	8643	0	0	0	0.09	
-8646	C7	SLES	1	-22.1364	-0.468956	-15.145	CTL2	8643	8647	8648	8649	-0.18	
-8647	H71	SLES	1	-22.0628	-1.51263	-15.5233	HAL2	8646	0	0	0	0.09	
-8648	H72	SLES	1	-22.971	-0.427912	-14.4102	HAL2	8646	0	0	0	0.09	
-8649	C8	SLES	1	-20.8139	-0.0993278	-14.428	CTL2	8646	8650	8651	8652	-0.18	
-8650	H81	SLES	1	-20.0236	0.0819178	-15.1921	HAL2	8649	0	0	0	0.09	
-8651	H82	SLES	1	-20.962	0.844566	-13.8555	HAL2	8649	0	0	0	0.09	
-8652	C9	SLES	1	-20.3359	-1.20962	-13.4589	CTL2	8649	8653	8654	8655	-0.18	
-8653	H91	SLES	1	-20.2166	-2.16035	-14.0266	HAL2	8652	0	0	0	0.09	
-8654	H92	SLES	1	-21.1141	-1.37052	-12.6792	HAL2	8652	0	0	0	0.09	
-8655	C10	SLES	1	-18.9951	-0.862401	-12.7696	CTL2	8652	8656	8657	8658	-0.18	
-8656	H10	SLES	1	-18.2108	-0.724299	-13.5484	HAL2	8655	0	0	0	0.09	
-8657	H10	SLES	1	-19.1072	0.0995526	-12.2199	HAL2	8655	0	0	0	0.09	
-8658	C11	SLES	1	-18.5349	-1.96267	-11.7768	CTL2	8655	8659	8660	8661	-0.18	
-8659	H11	SLES	1	-18.4177	-2.92104	-12.3326	HAL2	8658	0	0	0	0.09	
-8660	H11	SLES	1	-19.3301	-2.10973	-11.0106	HAL2	8658	0	0	0	0.09	
-8661	C12	SLES	1	-17.2011	-1.6363	-11.0565	CTL3	8658	8662	8663	8664	-0.27	
-8662	H12	SLES	1	-16.4425	-2.42025	-11.274	HAL3	8661	0	0	0	0.09	
-8663	H12	SLES	1	-17.3573	-1.58988	-9.95614	HAL3	8661	0	0	0	0.09	
-8664	H12	SLES	1	-16.8056	-0.6556	-11.3999	HAL3	8661	0	0	0	0.09	
-8665	NA	SLES	1	-36.0661	9.86206	-23.5384	NA	0	0	0	0	1	
-8666	S	SLES	1	-32.9926	11.2614	-24.9335	SL	8667	8668	8669	8670	1.33	
-8667	OS1	SLES	1	-33.0752	10.4032	-23.4968	OSL	8666	8671	0	0	-0.28	
-8668	OS2	SLES	1	-33.5131	10.3856	-25.9628	O2L	8666	0	0	0	-0.65	
-8669	OS3	SLES	1	-33.8671	12.404	-24.7709	O2L	8666	0	0	0	-0.65	
-8670	OS4	SLES	1	-31.6563	11.7083	-25.2925	O2L	8666	0	0	0	-0.65	
-8671	C2	SLES	1	-31.7046	10.1121	-22.9899	CC32A	8667	8672	8673	8674	-0.11	
-8672	H2A	SLES	1	-31.0984	9.57363	-23.7708	HCA2	8671	0	0	0	0.09	
-8673	H2B	SLES	1	-31.1996	11.0876	-22.7454	HCA2	8671	0	0	0	0.09	
-8674	C1	SLES	1	-31.8081	9.21073	-21.6699	CC32A	8671	8675	8676	8677	-0.01	
-8675	H1B	SLES	1	-32.3854	8.28302	-21.8886	HCA2	8674	0	0	0	0.09	
-8676	H1A	SLES	1	-32.33	9.77695	-20.8636	HCA2	8674	0	0	0	0.09	
-8677	O1	SLES	1	-30.5841	8.69849	-21.0239	OC30A	8674	8678	0	0	-0.34	
-8678	C2	SLES	1	-29.3475	9.35668	-21.3705	CC32A	8677	8679	8680	8681	-0.01	
-8679	H2A	SLES	1	-29.2947	9.17672	-22.4621	HCA2	8678	0	0	0	0.09	
-8680	H2B	SLES	1	-29.5893	10.4291	-21.1951	HCA2	8678	0	0	0	0.09	
-8681	C1	SLES	1	-27.9695	9.01682	-20.7202	CC32A	8678	8682	8683	8684	-0.01	
-8682	H1B	SLES	1	-27.4575	8.22985	-21.3157	HCA2	8681	0	0	0	0.09	
-8683	H1A	SLES	1	-27.3346	9.92539	-20.7122	HCA2	8681	0	0	0	0.09	
-8684	O1	SLES	1	-27.8329	8.44749	-19.3786	OC30A	8681	8685	0	0	-0.34	
-8685	C1	SLES	1	-26.5917	8.81075	-18.6705	CTL2	8684	8686	8687	8688	-0.18	
-8686	H11	SLES	1	-25.9289	9.30198	-19.4058	HAL2	8685	0	0	0	0.09	
-8687	H12	SLES	1	-26.9637	9.57692	-17.9593	HAL2	8685	0	0	0	0.09	
-8688	C2	SLES	1	-25.7846	7.70066	-17.8879	CTL2	8685	8689	8690	8691	-0.18	
-8689	H21	SLES	1	-26.2894	6.71821	-18.0249	HAL2	8688	0	0	0	0.09	
-8690	H22	SLES	1	-25.7961	7.94306	-16.8027	HAL2	8688	0	0	0	0.09	
-8691	C3	SLES	1	-24.2623	7.58151	-18.3848	CTL2	8688	8692	8693	8694	-0.18	
-8692	H31	SLES	1	-24.161	6.67697	-19.025	HAL2	8691	0	0	0	0.09	
-8693	H32	SLES	1	-24.0143	8.4661	-19.0047	HAL2	8691	0	0	0	0.09	
-8694	C4	SLES	1	-23.2259	7.48406	-17.1896	CTL2	8691	8695	8696	8697	-0.18	
-8695	H41	SLES	1	-22.909	6.42659	-17.0738	HAL2	8694	0	0	0	0.09	
-8696	H42	SLES	1	-23.7251	7.79696	-16.2473	HAL2	8694	0	0	0	0.09	
-8697	C5	SLES	1	-21.9359	8.39383	-17.4194	CTL2	8694	8698	8699	8700	-0.18	
-8698	H51	SLES	1	-21.8641	8.65637	-18.4979	HAL2	8697	0	0	0	0.09	
-8699	H52	SLES	1	-22.0525	9.34045	-16.8438	HAL2	8697	0	0	0	0.09	
-8700	C6	SLES	1	-20.5995	7.68676	-16.977	CTL2	8697	8701	8702	8703	-0.18	
-8701	H61	SLES	1	-20.3557	6.88259	-17.707	HAL2	8700	0	0	0	0.09	
-8702	H62	SLES	1	-19.7709	8.43262	-16.9988	HAL2	8700	0	0	0	0.09	
-8703	C7	SLES	1	-20.6876	7.06655	-15.5467	CTL2	8700	8704	8705	8706	-0.18	
-8704	H71	SLES	1	-21.1989	6.0805	-15.6097	HAL2	8703	0	0	0	0.09	
-8705	H72	SLES	1	-21.3016	7.7312	-14.8989	HAL2	8703	0	0	0	0.09	
-8706	C8	SLES	1	-19.2962	6.871	-14.8943	CTL2	8703	8707	8708	8709	-0.18	
-8707	H81	SLES	1	-18.6092	6.40178	-15.6355	HAL2	8706	0	0	0	0.09	
-8708	H82	SLES	1	-18.8792	7.86702	-14.6211	HAL2	8706	0	0	0	0.09	
-8709	C9	SLES	1	-19.3566	5.98226	-13.6267	CTL2	8706	8710	8711	8712	-0.18	
-8710	H91	SLES	1	-19.8011	4.99694	-13.8949	HAL2	8709	0	0	0	0.09	
-8711	H92	SLES	1	-20.0213	6.46587	-12.8759	HAL2	8709	0	0	0	0.09	
-8712	C10	SLES	1	-17.964	5.75155	-12.9936	CTL2	8709	8713	8714	8715	-0.18	
-8713	H10	SLES	1	-17.3058	5.24655	-13.7369	HAL2	8712	0	0	0	0.09	
-8714	H10	SLES	1	-17.5095	6.7374	-12.7455	HAL2	8712	0	0	0	0.09	
-8715	C11	SLES	1	-18.0321	4.88662	-11.7071	CTL2	8712	8716	8717	8718	-0.18	
-8716	H11	SLES	1	-18.4809	3.89934	-11.9619	HAL2	8715	0	0	0	0.09	
-8717	H11	SLES	1	-18.7054	5.38661	-10.9739	HAL2	8715	0	0	0	0.09	
-8718	C12	SLES	1	-16.6528	4.65092	-11.0388	CTL3	8715	8719	8720	8721	-0.27	
-8719	H12	SLES	1	-16.4304	3.56235	-10.9849	HAL3	8718	0	0	0	0.09	
-8720	H12	SLES	1	-16.6476	5.06522	-10.0065	HAL3	8718	0	0	0	0.09	
-8721	H12	SLES	1	-15.8489	5.14821	-11.6242	HAL3	8718	0	0	0	0.09	
-8722	NA	SLES	1	-29.8575	22.4096	-23.6309	NA	0	0	0	0	1	
-8723	S	SLES	1	-26.8306	21.5967	-25.509	SL	8724	8725	8726	8727	1.33	
-8724	OS1	SLES	1	-27.0595	21.2495	-23.886	OSL	8723	8728	0	0	-0.28	
-8725	OS2	SLES	1	-27.9079	20.9425	-26.2225	O2L	8723	0	0	0	-0.65	
-8726	OS3	SLES	1	-26.9578	23.0336	-25.6354	O2L	8723	0	0	0	-0.65	
-8727	OS4	SLES	1	-25.5489	21.1647	-26.0428	O2L	8723	0	0	0	-0.65	
-8728	C2	SLES	1	-25.9565	20.3831	-23.3829	CC32A	8724	8729	8730	8731	-0.11	
-8729	H2A	SLES	1	-25.8679	19.4505	-24.0072	HCA2	8728	0	0	0	0.09	
-8730	H2B	SLES	1	-24.9918	20.9586	-23.4488	HCA2	8728	0	0	0	0.09	
-8731	C1	SLES	1	-26.2471	19.9869	-21.8583	CC32A	8728	8732	8733	8734	-0.01	
-8732	H1B	SLES	1	-27.2436	19.4947	-21.7779	HCA2	8731	0	0	0	0.09	
-8733	H1A	SLES	1	-26.246	20.9022	-21.2215	HCA2	8731	0	0	0	0.09	
-8734	O1	SLES	1	-25.3527	19.0489	-21.1525	OC30A	8731	8735	0	0	-0.34	
-8735	C2	SLES	1	-24.0457	18.8454	-21.7295	CC32A	8734	8736	8737	8738	-0.01	
-8736	H2A	SLES	1	-24.3008	18.4364	-22.7267	HCA2	8735	0	0	0	0.09	
-8737	H2B	SLES	1	-23.6736	19.8873	-21.8536	HCA2	8735	0	0	0	0.09	
-8738	C1	SLES	1	-22.9339	17.966	-21.0757	CC32A	8735	8739	8740	8741	-0.01	
-8739	H1B	SLES	1	-23.0147	16.9214	-21.4476	HCA2	8738	0	0	0	0.09	
-8740	H1A	SLES	1	-21.9389	18.3665	-21.3553	HCA2	8738	0	0	0	0.09	
-8741	O1	SLES	1	-22.8505	17.7159	-19.6357	OC30A	8738	8742	0	0	-0.34	
-8742	C1	SLES	1	-21.4872	17.4955	-19.1192	CTL2	8741	8743	8744	8745	-0.18	
-8743	H11	SLES	1	-20.8216	17.3816	-19.9939	HAL2	8742	0	0	0	0.09	
-8744	H12	SLES	1	-21.2771	18.4727	-18.6372	HAL2	8742	0	0	0	0.09	
-8745	C2	SLES	1	-21.2198	16.324	-18.0934	CTL2	8742	8746	8747	8748	-0.18	
-8746	H21	SLES	1	-22.1673	15.7656	-17.9226	HAL2	8745	0	0	0	0.09	
-8747	H22	SLES	1	-20.8996	16.7602	-17.122	HAL2	8745	0	0	0	0.09	
-8748	C3	SLES	1	-20.0941	15.3009	-18.6079	CTL2	8745	8749	8750	8751	-0.18	
-8749	H31	SLES	1	-20.5884	14.3719	-18.9698	HAL2	8748	0	0	0	0.09	
-8750	H32	SLES	1	-19.5566	15.7556	-19.4638	HAL2	8748	0	0	0	0.09	
-8751	C4	SLES	1	-19.043	14.9197	-17.4844	CTL2	8748	8752	8753	8754	-0.18	
-8752	H41	SLES	1	-19.2887	13.912	-17.0891	HAL2	8751	0	0	0	0.09	
-8753	H42	SLES	1	-19.1248	15.6453	-16.6467	HAL2	8751	0	0	0	0.09	
-8754	C5	SLES	1	-17.5415	14.9175	-18.0232	CTL2	8751	8755	8756	8757	-0.18	
-8755	H51	SLES	1	-17.5544	14.8617	-19.1342	HAL2	8754	0	0	0	0.09	
-8756	H52	SLES	1	-17.0511	15.8751	-17.7344	HAL2	8754	0	0	0	0.09	
-8757	C6	SLES	1	-16.69	13.7166	-17.4626	CTL2	8754	8758	8759	8760	-0.18	
-8758	H61	SLES	1	-17.0308	12.7735	-17.9458	HAL2	8757	0	0	0	0.09	
-8759	H62	SLES	1	-15.6199	13.8738	-17.7339	HAL2	8757	0	0	0	0.09	
-8760	C7	SLES	1	-16.8044	13.5649	-15.9127	CTL2	8757	8761	8762	8763	-0.18	
-8761	H71	SLES	1	-17.7451	13.0231	-15.6697	HAL2	8760	0	0	0	0.09	
-8762	H72	SLES	1	-16.8613	14.576	-15.4513	HAL2	8760	0	0	0	0.09	
-8763	C8	SLES	1	-15.6079	12.7964	-15.2984	CTL2	8760	8764	8765	8766	-0.18	
-8764	H81	SLES	1	-15.4087	11.8853	-15.9081	HAL2	8763	0	0	0	0.09	
-8765	H82	SLES	1	-14.7014	13.4422	-15.3384	HAL2	8763	0	0	0	0.09	
-8766	C9	SLES	1	-15.8659	12.3761	-13.8297	CTL2	8763	8767	8768	8769	-0.18	
-8767	H91	SLES	1	-16.7892	11.7548	-13.7866	HAL2	8766	0	0	0	0.09	
-8768	H92	SLES	1	-16.0372	13.289	-13.2158	HAL2	8766	0	0	0	0.09	
-8769	C10	SLES	1	-14.6898	11.574	-13.2239	CTL2	8766	8770	8771	8772	-0.18	
-8770	H10	SLES	1	-14.5332	10.6488	-13.8241	HAL2	8769	0	0	0	0.09	
-8771	H10	SLES	1	-13.7616	12.1861	-13.2868	HAL2	8769	0	0	0	0.09	
-8772	C11	SLES	1	-14.9385	11.1814	-11.7434	CTL2	8769	8773	8774	8775	-0.18	
-8773	H11	SLES	1	-15.8639	10.5637	-11.6867	HAL2	8772	0	0	0	0.09	
-8774	H11	SLES	1	-15.1123	12.1085	-11.1508	HAL2	8772	0	0	0	0.09	
-8775	C12	SLES	1	-13.7695	10.39	-11.1019	CTL3	8772	8776	8777	8778	-0.27	
-8776	H12	SLES	1	-14.1223	9.39456	-10.7526	HAL3	8775	0	0	0	0.09	
-8777	H12	SLES	1	-13.3585	10.9461	-10.2305	HAL3	8775	0	0	0	0.09	
-8778	H12	SLES	1	-12.9535	10.2372	-11.8415	HAL3	8775	0	0	0	0.09	
-8779	NA	SLES	1	-19.2323	31.742	-23.9718	NA	0	0	0	0	1	
-8780	S	SLES	1	-17.6264	29.1611	-25.9991	SL	8781	8782	8783	8784	1.33	
-8781	OS1	SLES	1	-17.5796	29.2155	-24.3251	OSL	8780	8785	0	0	-0.28	
-8782	OS2	SLES	1	-19.0264	29.1173	-26.3672	O2L	8780	0	0	0	-0.65	
-8783	OS3	SLES	1	-17.035	30.4001	-26.4591	O2L	8780	0	0	0	-0.65	
-8784	OS4	SLES	1	-16.9246	28.0304	-26.5852	O2L	8780	0	0	0	-0.65	
-8785	C2	SLES	1	-16.9824	27.9619	-23.7845	CC32A	8781	8786	8787	8788	-0.11	
-8786	H2A	SLES	1	-17.5403	27.0606	-24.1635	HCA2	8785	0	0	0	0.09	
-8787	H2B	SLES	1	-15.9126	27.899	-24.1275	HCA2	8785	0	0	0	0.09	
-8788	C1	SLES	1	-17.0362	27.9967	-22.1839	CC32A	8785	8789	8790	8791	-0.01	
-8789	H1B	SLES	1	-18.0863	28.1478	-21.8431	HCA2	8788	0	0	0	0.09	
-8790	H1A	SLES	1	-16.41	28.8361	-21.8013	HCA2	8788	0	0	0	0.09	
-8791	O1	SLES	1	-16.5958	26.8255	-21.4015	OC30A	8788	8792	0	0	-0.34	
-8792	C2	SLES	1	-15.7683	25.8638	-22.0894	CC32A	8791	8793	8794	8795	-0.01	
-8793	H2A	SLES	1	-16.4386	25.5338	-22.9071	HCA2	8792	0	0	0	0.09	
-8794	H2B	SLES	1	-14.9651	26.5032	-22.52	HCA2	8792	0	0	0	0.09	
-8795	C1	SLES	1	-15.1322	24.6146	-21.4022	CC32A	8792	8796	8797	8798	-0.01	
-8796	H1B	SLES	1	-15.8225	23.7474	-21.4876	HCA2	8795	0	0	0	0.09	
-8797	H1A	SLES	1	-14.1803	24.3622	-21.911	HCA2	8795	0	0	0	0.09	
-8798	O1	SLES	1	-14.8253	24.5536	-19.9723	OC30A	8795	8799	0	0	-0.34	
-8799	C1	SLES	1	-13.6828	23.6923	-19.6161	CTL2	8798	8800	8801	8802	-0.18	
-8800	H11	SLES	1	-13.4139	23.117	-20.5204	HAL2	8799	0	0	0	0.09	
-8801	H12	SLES	1	-12.8922	24.4476	-19.4268	HAL2	8799	0	0	0	0.09	
-8802	C2	SLES	1	-13.7962	22.7147	-18.3801	CTL2	8799	8803	8804	8805	-0.18	
-8803	H21	SLES	1	-14.8166	22.7963	-17.9432	HAL2	8802	0	0	0	0.09	
-8804	H22	SLES	1	-13.065	23.0281	-17.6031	HAL2	8802	0	0	0	0.09	
-8805	C3	SLES	1	-13.5177	21.1844	-18.7787	CTL2	8802	8806	8807	8808	-0.18	
-8806	H31	SLES	1	-14.4875	20.6407	-18.8245	HAL2	8805	0	0	0	0.09	
-8807	H32	SLES	1	-13.0614	21.1512	-19.7881	HAL2	8805	0	0	0	0.09	
-8808	C4	SLES	1	-12.5601	20.4421	-17.7567	CTL2	8805	8809	8810	8811	-0.18	
-8809	H41	SLES	1	-13.1731	19.7976	-17.0927	HAL2	8808	0	0	0	0.09	
-8810	H42	SLES	1	-12.0474	21.1972	-17.1227	HAL2	8808	0	0	0	0.09	
-8811	C5	SLES	1	-11.4607	19.545	-18.4856	CTL2	8808	8812	8813	8814	-0.18	
-8812	H51	SLES	1	-11.7812	19.3586	-19.5344	HAL2	8811	0	0	0	0.09	
-8813	H52	SLES	1	-10.4981	20.1048	-18.5163	HAL2	8811	0	0	0	0.09	
-8814	C6	SLES	1	-11.2257	18.161	-17.7709	CTL2	8811	8815	8816	8817	-0.18	
-8815	H61	SLES	1	-12.107	17.5053	-17.9512	HAL2	8814	0	0	0	0.09	
-8816	H62	SLES	1	-10.3331	17.6676	-18.2219	HAL2	8814	0	0	0	0.09	
-8817	C7	SLES	1	-11.0039	18.3043	-16.2319	CTL2	8814	8818	8819	8820	-0.18	
-8818	H71	SLES	1	-11.9921	18.4054	-15.7309	HAL2	8817	0	0	0	0.09	
-8819	H72	SLES	1	-10.4214	19.2314	-16.0329	HAL2	8817	0	0	0	0.09	
-8820	C8	SLES	1	-10.252	17.095	-15.6222	CTL2	8817	8821	8822	8823	-0.18	
-8821	H81	SLES	1	-10.7041	16.1527	-16.0083	HAL2	8820	0	0	0	0.09	
-8822	H82	SLES	1	-9.18778	17.1255	-15.9497	HAL2	8820	0	0	0	0.09	
-8823	C9	SLES	1	-10.3052	17.0846	-14.0739	CTL2	8820	8824	8825	8826	-0.18	
-8824	H91	SLES	1	-11.3699	17.084	-13.7471	HAL2	8823	0	0	0	0.09	
-8825	H92	SLES	1	-9.82808	18.0136	-13.6882	HAL2	8823	0	0	0	0.09	
-8826	C10	SLES	1	-9.58913	15.8577	-13.4611	CTL2	8823	8827	8828	8829	-0.18	
-8827	H10	SLES	1	-10.0812	14.9284	-13.8286	HAL2	8826	0	0	0	0.09	
-8828	H10	SLES	1	-8.53013	15.8454	-13.8052	HAL2	8826	0	0	0	0.09	
-8829	C11	SLES	1	-9.61778	15.8666	-11.9096	CTL2	8826	8830	8831	8832	-0.18	
-8830	H11	SLES	1	-10.6789	15.872	-11.5705	HAL2	8829	0	0	0	0.09	
-8831	H11	SLES	1	-9.14085	16.8059	-11.5474	HAL2	8829	0	0	0	0.09	
-8832	C12	SLES	1	-8.89307	14.6571	-11.2643	CTL3	8829	8833	8834	8835	-0.27	
-8833	H12	SLES	1	-9.5998	14.0754	-10.6322	HAL3	8832	0	0	0	0.09	
-8834	H12	SLES	1	-8.05174	15.0063	-10.6259	HAL3	8832	0	0	0	0.09	
-8835	H12	SLES	1	-8.48576	13.9851	-12.0508	HAL3	8832	0	0	0	0.09	
-8836	NA	SLES	1	-5.84471	36.249	-24.575	NA	0	0	0	0	1	
-8837	S	SLES	1	-6.46147	33.1427	-26.3974	SL	8838	8839	8840	8841	1.33	
-8838	OS1	SLES	1	-5.92147	33.2196	-24.8131	OSL	8837	8842	0	0	-0.28	
-8839	OS2	SLES	1	-7.71792	33.862	-26.4359	O2L	8837	0	0	0	-0.65	
-8840	OS3	SLES	1	-5.47204	33.8373	-27.1943	O2L	8837	0	0	0	-0.65	
-8841	OS4	SLES	1	-6.64756	31.7932	-26.9058	O2L	8837	0	0	0	-0.65	
-8842	C2	SLES	1	-5.93664	31.8633	-24.1962	CC32A	8838	8843	8844	8845	-0.11	
-8843	H2A	SLES	1	-6.9614	31.4037	-24.2726	HCA2	8842	0	0	0	0.09	
-8844	H2B	SLES	1	-5.20321	31.2119	-24.7476	HCA2	8842	0	0	0	0.09	
-8845	C1	SLES	1	-5.50873	31.9765	-22.6568	CC32A	8842	8846	8847	8848	-0.01	
-8846	H1B	SLES	1	-6.18113	32.6907	-22.128	HCA2	8845	0	0	0	0.09	
-8847	H1A	SLES	1	-4.45989	32.3471	-22.5806	HCA2	8845	0	0	0	0.09	
-8848	O1	SLES	1	-5.53923	30.7833	-21.789	OC30A	8845	8849	0	0	-0.34	
-8849	C2	SLES	1	-5.56506	29.5025	-22.4534	CC32A	8848	8850	8851	8852	-0.01	
-8850	H2A	SLES	1	-6.50852	29.5667	-23.0301	HCA2	8849	0	0	0	0.09	
-8851	H2B	SLES	1	-4.7074	29.581	-23.1588	HCA2	8849	0	0	0	0.09	
-8852	C1	SLES	1	-5.50504	28.1334	-21.7054	CC32A	8849	8853	8854	8855	-0.01	
-8853	H1B	SLES	1	-6.53591	27.785	-21.4775	HCA2	8852	0	0	0	0.09	
-8854	H1A	SLES	1	-5.01199	27.3828	-22.3551	HCA2	8852	0	0	0	0.09	
-8855	O1	SLES	1	-4.88413	27.9628	-20.3908	OC30A	8852	8856	0	0	-0.34	
-8856	C1	SLES	1	-4.30814	26.6286	-20.1418	CTL2	8855	8857	8858	8859	-0.18	
-8857	H11	SLES	1	-4.64562	25.9696	-20.9622	HAL2	8856	0	0	0	0.09	
-8858	H12	SLES	1	-3.22507	26.8321	-20.2716	HAL2	8856	0	0	0	0.09	
-8859	C2	SLES	1	-4.55662	25.9165	-18.7535	CTL2	8856	8860	8861	8862	-0.18	
-8860	H21	SLES	1	-5.21387	26.5596	-18.1264	HAL2	8859	0	0	0	0.09	
-8861	H22	SLES	1	-3.58417	25.8035	-18.2261	HAL2	8859	0	0	0	0.09	
-8862	C3	SLES	1	-5.23831	24.4718	-18.9165	CTL2	8859	8863	8864	8865	-0.18	
-8863	H31	SLES	1	-6.31569	24.5484	-18.6488	HAL2	8862	0	0	0	0.09	
-8864	H32	SLES	1	-5.17321	24.1592	-19.9778	HAL2	8862	0	0	0	0.09	
-8865	C4	SLES	1	-4.56125	23.3612	-18.0107	CTL2	8862	8866	8867	8868	-0.18	
-8866	H41	SLES	1	-5.20201	23.1819	-17.1223	HAL2	8865	0	0	0	0.09	
-8867	H42	SLES	1	-3.57651	23.7322	-17.6534	HAL2	8865	0	0	0	0.09	
-8868	C5	SLES	1	-4.3458	21.9836	-18.7858	CTL2	8865	8869	8870	8871	-0.18	
-8869	H51	SLES	1	-4.99803	21.9681	-19.6868	HAL2	8868	0	0	0	0.09	
-8870	H52	SLES	1	-3.28759	21.9219	-19.1283	HAL2	8868	0	0	0	0.09	
-8871	C6	SLES	1	-4.67153	20.7231	-17.8991	CTL2	8868	8872	8873	8874	-0.18	
-8872	H61	SLES	1	-5.7736	20.6529	-17.7591	HAL2	8871	0	0	0	0.09	
-8873	H62	SLES	1	-4.3349	19.8057	-18.4363	HAL2	8871	0	0	0	0.09	
-8874	C7	SLES	1	-3.98249	20.7736	-16.4987	CTL2	8871	8875	8876	8877	-0.18	
-8875	H71	SLES	1	-4.58545	21.4174	-15.8207	HAL2	8874	0	0	0	0.09	
-8876	H72	SLES	1	-2.97546	21.235	-16.605	HAL2	8874	0	0	0	0.09	
-8877	C8	SLES	1	-3.83026	19.3717	-15.8576	CTL2	8874	8878	8879	8880	-0.18	
-8878	H81	SLES	1	-4.79297	18.8196	-15.9564	HAL2	8877	0	0	0	0.09	
-8879	H82	SLES	1	-3.0486	18.8019	-16.4099	HAL2	8877	0	0	0	0.09	
-8880	C9	SLES	1	-3.44017	19.445	-14.36	CTL2	8877	8881	8882	8883	-0.18	
-8881	H91	SLES	1	-4.20695	20.04	-13.8138	HAL2	8880	0	0	0	0.09	
-8882	H92	SLES	1	-2.46429	19.9723	-14.2647	HAL2	8880	0	0	0	0.09	
-8883	C10	SLES	1	-3.32516	18.0482	-13.7049	CTL2	8880	8884	8885	8886	-0.18	
-8884	H10	SLES	1	-4.30811	17.5295	-13.7795	HAL2	8883	0	0	0	0.09	
-8885	H10	SLES	1	-2.5746	17.445	-14.2642	HAL2	8883	0	0	0	0.09	
-8886	C11	SLES	1	-2.90438	18.1243	-12.2133	CTL2	8883	8887	8888	8889	-0.18	
-8887	H11	SLES	1	-3.66168	18.7228	-11.657	HAL2	8886	0	0	0	0.09	
-8888	H11	SLES	1	-1.92996	18.6595	-12.1423	HAL2	8886	0	0	0	0.09	
-8889	C12	SLES	1	-2.76411	16.7384	-11.532	CTL3	8886	8890	8891	8892	-0.27	
-8890	H12	SLES	1	-3.45698	16.6619	-10.6651	HAL3	8889	0	0	0	0.09	
-8891	H12	SLES	1	-1.72346	16.5902	-11.1681	HAL3	8889	0	0	0	0.09	
-8892	H12	SLES	1	-3.00665	15.9267	-12.2521	HAL3	8889	0	0	0	0.09	
-8893	NA	SLES	1	8.06102	35.2262	-25.4208	NA	0	0	0	0	1	
-8894	S	SLES	1	5.39653	33.0835	-26.7091	SL	8895	8896	8897	8898	1.33	
-8895	OS1	SLES	1	6.30499	32.7463	-25.3422	OSL	8894	8899	0	0	-0.28	
-8896	OS2	SLES	1	4.77173	34.3693	-26.4771	O2L	8894	0	0	0	-0.65	
-8897	OS3	SLES	1	6.33858	33.1843	-27.804	O2L	8894	0	0	0	-0.65	
-8898	OS4	SLES	1	4.38227	32.0887	-27.0191	O2L	8894	0	0	0	-0.65	
-8899	C2	SLES	1	5.73362	31.5758	-24.6185	CC32A	8895	8900	8901	8902	-0.11	
-8900	H2A	SLES	1	4.64898	31.7511	-24.3735	HCA2	8899	0	0	0	0.09	
-8901	H2B	SLES	1	5.81556	30.6707	-25.2821	HCA2	8899	0	0	0	0.09	
-8902	C1	SLES	1	6.55997	31.3328	-23.2679	CC32A	8899	8903	8904	8905	-0.01	
-8903	H1B	SLES	1	6.55418	32.2589	-22.6482	HCA2	8902	0	0	0	0.09	
-8904	H1A	SLES	1	7.61584	31.0698	-23.5111	HCA2	8902	0	0	0	0.09	
-8905	O1	SLES	1	6.13325	30.2899	-22.3149	OC30A	8902	8906	0	0	-0.34	
-8906	C2	SLES	1	5.24063	29.2766	-22.824	CC32A	8905	8907	8908	8909	-0.01	
-8907	H2A	SLES	1	4.36448	29.8812	-23.1301	HCA2	8906	0	0	0	0.09	
-8908	H2B	SLES	1	5.77163	28.9264	-23.7376	HCA2	8906	0	0	0	0.09	
-8909	C1	SLES	1	4.75845	28.0457	-21.9936	CC32A	8906	8910	8911	8912	-0.01	
-8910	H1B	SLES	1	3.81262	28.2965	-21.4658	HCA2	8909	0	0	0	0.09	
-8911	H1A	SLES	1	4.56842	27.1945	-22.6777	HCA2	8909	0	0	0	0.09	
-8912	O1	SLES	1	5.52393	27.4759	-20.8835	OC30A	8909	8913	0	0	-0.34	
-8913	C1	SLES	1	5.33392	26.029	-20.6731	CTL2	8912	8914	8915	8916	-0.18	
-8914	H11	SLES	1	4.48441	25.7162	-21.3069	HAL2	8913	0	0	0	0.09	
-8915	H12	SLES	1	6.27043	25.6217	-21.107	HAL2	8913	0	0	0	0.09	
-8916	C2	SLES	1	5.13584	25.4714	-19.2081	CTL2	8913	8917	8918	8919	-0.18	
-8917	H21	SLES	1	5.13102	26.323	-18.4915	HAL2	8916	0	0	0	0.09	
-8918	H22	SLES	1	5.99527	24.8137	-18.9525	HAL2	8916	0	0	0	0.09	
-8919	C3	SLES	1	3.77083	24.6416	-19.0451	CTL2	8916	8920	8921	8922	-0.18	
-8920	H31	SLES	1	3.02752	25.2709	-18.5068	HAL2	8919	0	0	0	0.09	
-8921	H32	SLES	1	3.36192	24.4175	-20.0505	HAL2	8919	0	0	0	0.09	
-8922	C4	SLES	1	3.96277	23.2821	-18.2532	CTL2	8919	8923	8924	8925	-0.18	
-8923	H41	SLES	1	3.60089	23.4178	-17.2126	HAL2	8922	0	0	0	0.09	
-8924	H42	SLES	1	5.04536	23.0348	-18.2096	HAL2	8922	0	0	0	0.09	
-8925	C5	SLES	1	3.17982	22.0647	-18.9238	CTL2	8922	8926	8927	8928	-0.18	
-8926	H51	SLES	1	2.40335	22.467	-19.6113	HAL2	8925	0	0	0	0.09	
-8927	H52	SLES	1	3.89521	21.4633	-19.53	HAL2	8925	0	0	0	0.09	
-8928	C6	SLES	1	2.48693	21.124	-17.8672	CTL2	8925	8929	8930	8931	-0.18	
-8929	H61	SLES	1	1.60979	21.6526	-17.4309	HAL2	8928	0	0	0	0.09	
-8930	H62	SLES	1	2.11361	20.2101	-18.3858	HAL2	8928	0	0	0	0.09	
-8931	C7	SLES	1	3.44922	20.6966	-16.7141	CTL2	8928	8932	8933	8934	-0.18	
-8932	H71	SLES	1	3.50209	21.516	-15.9633	HAL2	8931	0	0	0	0.09	
-8933	H72	SLES	1	4.47035	20.545	-17.1296	HAL2	8931	0	0	0	0.09	
-8934	C8	SLES	1	2.99336	19.3956	-16.0078	CTL2	8931	8935	8936	8937	-0.18	
-8935	H81	SLES	1	1.90221	19.4613	-15.7922	HAL2	8934	0	0	0	0.09	
-8936	H82	SLES	1	3.15739	18.5329	-16.6929	HAL2	8934	0	0	0	0.09	
-8937	C9	SLES	1	3.75659	19.1426	-14.6834	CTL2	8934	8938	8939	8940	-0.18	
-8938	H91	SLES	1	3.61633	20.0188	-14.0104	HAL2	8937	0	0	0	0.09	
-8939	H92	SLES	1	4.84395	19.0492	-14.9035	HAL2	8937	0	0	0	0.09	
-8940	C10	SLES	1	3.27768	17.865	-13.9542	CTL2	8937	8941	8942	8943	-0.18	
-8941	H10	SLES	1	2.19507	17.968	-13.7131	HAL2	8940	0	0	0	0.09	
-8942	H10	SLES	1	3.39698	16.9916	-14.6346	HAL2	8940	0	0	0	0.09	
-8943	C11	SLES	1	4.0652	17.5981	-12.644	CTL2	8940	8944	8945	8946	-0.18	
-8944	H11	SLES	1	3.93714	18.4714	-11.9642	HAL2	8943	0	0	0	0.09	
-8945	H11	SLES	1	5.1489	17.5137	-12.8878	HAL2	8943	0	0	0	0.09	
-8946	C12	SLES	1	3.61949	16.3141	-11.8975	CTL3	8943	8947	8948	8949	-0.27	
-8947	H12	SLES	1	3.26543	16.5657	-10.8734	HAL3	8946	0	0	0	0.09	
-8948	H12	SLES	1	4.4692	15.6012	-11.8135	HAL3	8946	0	0	0	0.09	
-8949	H12	SLES	1	2.79117	15.8151	-12.4461	HAL3	8946	0	0	0	0.09	
-8950	NA	SLES	1	20.1854	29.0629	-26.4572	NA	0	0	0	0	1	
-8951	S	SLES	1	16.568	28.9168	-26.9506	SL	8952	8953	8954	8955	1.33	
-8952	OS1	SLES	1	17.4206	27.9297	-25.8989	OSL	8951	8956	0	0	-0.28	
-8953	OS2	SLES	1	16.8414	30.2796	-26.5437	O2L	8951	0	0	0	-0.65	
-8954	OS3	SLES	1	17.1209	28.6757	-28.2669	O2L	8951	0	0	0	-0.65	
-8955	OS4	SLES	1	15.1328	28.6832	-26.9665	O2L	8951	0	0	0	-0.65	
-8956	C2	SLES	1	16.48	27.1457	-25.0499	CC32A	8952	8957	8958	8959	-0.11	
-8957	H2A	SLES	1	15.7704	27.8303	-24.5068	HCA2	8956	0	0	0	0.09	
-8958	H2B	SLES	1	15.8863	26.4589	-25.7148	HCA2	8956	0	0	0	0.09	
-8959	C1	SLES	1	17.316	26.2832	-23.9901	CC32A	8956	8960	8961	8962	-0.01	
-8960	H1B	SLES	1	17.9719	26.954	-23.3887	HCA2	8959	0	0	0	0.09	
-8961	H1A	SLES	1	17.9541	25.5409	-24.5238	HCA2	8959	0	0	0	0.09	
-8962	O1	SLES	1	16.615	25.4906	-22.9614	OC30A	8959	8963	0	0	-0.34	
-8963	C2	SLES	1	15.2203	25.2091	-23.2027	CC32A	8962	8964	8965	8966	-0.01	
-8964	H2A	SLES	1	14.7886	26.2283	-23.2446	HCA2	8963	0	0	0	0.09	
-8965	H2B	SLES	1	15.2361	24.7837	-24.2313	HCA2	8963	0	0	0	0.09	
-8966	C1	SLES	1	14.3418	24.31	-22.2769	CC32A	8963	8967	8968	8969	-0.01	
-8967	H1B	SLES	1	13.8505	24.9371	-21.5014	HCA2	8966	0	0	0	0.09	
-8968	H1A	SLES	1	13.5568	23.8164	-22.8841	HCA2	8966	0	0	0	0.09	
-8969	O1	SLES	1	14.8911	23.248	-21.4324	OC30A	8966	8970	0	0	-0.34	
-8970	C1	SLES	1	13.9811	22.1145	-21.1852	CTL2	8969	8971	8972	8973	-0.18	
-8971	H11	SLES	1	12.9827	22.4116	-21.5543	HAL2	8970	0	0	0	0.09	
-8972	H12	SLES	1	14.3994	21.3472	-21.869	HAL2	8970	0	0	0	0.09	
-8973	C2	SLES	1	13.8518	21.5193	-19.7274	CTL2	8970	8974	8975	8976	-0.18	
-8974	H21	SLES	1	14.4894	22.1119	-19.0338	HAL2	8973	0	0	0	0.09	
-8975	H22	SLES	1	14.2288	20.4731	-19.7294	HAL2	8973	0	0	0	0.09	
-8976	C3	SLES	1	12.339	21.5328	-19.1893	CTL2	8973	8977	8978	8979	-0.18	
-8977	H31	SLES	1	12.2227	22.3643	-18.4589	HAL2	8976	0	0	0	0.09	
-8978	H32	SLES	1	11.655	21.7287	-20.039	HAL2	8976	0	0	0	0.09	
-8979	C4	SLES	1	11.9169	20.1734	-18.4921	CTL2	8976	8980	8981	8982	-0.18	
-8980	H41	SLES	1	11.9456	20.3099	-17.3909	HAL2	8979	0	0	0	0.09	
-8981	H42	SLES	1	12.6516	19.3832	-18.7584	HAL2	8979	0	0	0	0.09	
-8982	C5	SLES	1	10.4582	19.6903	-18.9207	CTL2	8979	8983	8984	8985	-0.18	
-8983	H51	SLES	1	9.90461	20.5504	-19.3578	HAL2	8982	0	0	0	0.09	
-8984	H52	SLES	1	10.552	18.908	-19.7082	HAL2	8982	0	0	0	0.09	
-8985	C6	SLES	1	9.62622	19.1077	-17.7166	CTL2	8982	8986	8987	8988	-0.18	
-8986	H61	SLES	1	9.32348	19.9436	-17.0467	HAL2	8985	0	0	0	0.09	
-8987	H62	SLES	1	8.69856	18.633	-18.1135	HAL2	8985	0	0	0	0.09	
-8988	C7	SLES	1	10.4218	18.0518	-16.8857	CTL2	8985	8989	8990	8991	-0.18	
-8989	H71	SLES	1	11.0953	18.5813	-16.1759	HAL2	8988	0	0	0	0.09	
-8990	H72	SLES	1	11.0545	17.4485	-17.5743	HAL2	8988	0	0	0	0.09	
-8991	C8	SLES	1	9.49638	17.1006	-16.0868	CTL2	8988	8992	8993	8994	-0.18	
-8992	H81	SLES	1	8.71368	17.7026	-15.5706	HAL2	8991	0	0	0	0.09	
-8993	H82	SLES	1	8.98678	16.4087	-16.7954	HAL2	8991	0	0	0	0.09	
-8994	C9	SLES	1	10.2704	16.2678	-15.0343	CTL2	8991	8995	8996	8997	-0.18	
-8995	H91	SLES	1	10.8037	16.9603	-14.3441	HAL2	8994	0	0	0	0.09	
-8996	H92	SLES	1	11.0336	15.6456	-15.5538	HAL2	8994	0	0	0	0.09	
-8997	C10	SLES	1	9.34501	15.3447	-14.2068	CTL2	8994	8998	8999	9000	-0.18	
-8998	H10	SLES	1	8.59583	15.9689	-13.6684	HAL2	8997	0	0	0	0.09	
-8999	H10	SLES	1	8.79488	14.6669	-14.8981	HAL2	8997	0	0	0	0.09	
-9000	C11	SLES	1	10.1273	14.4897	-13.1748	CTL2	8997	9001	9002	9003	-0.18	
-9001	H11	SLES	1	10.6703	15.1721	-12.4815	HAL2	9000	0	0	0	0.09	
-9002	H11	SLES	1	10.8872	13.8808	-13.716	HAL2	9000	0	0	0	0.09	
-9003	C12	SLES	1	9.22884	13.5407	-12.3401	CTL3	9000	9004	9005	9006	-0.27	
-9004	H12	SLES	1	9.32459	13.7719	-11.2563	HAL3	9003	0	0	0	0.09	
-9005	H12	SLES	1	9.52747	12.4819	-12.5044	HAL3	9003	0	0	0	0.09	
-9006	H12	SLES	1	8.16318	13.6581	-12.6346	HAL3	9003	0	0	0	0.09	
-9007	NA	SLES	1	28.7259	19.0999	-27.6062	NA	0	0	0	0	1	
-9008	S	SLES	1	25.6529	21.0226	-27.1476	SL	9009	9010	9011	9012	1.33	
-9009	OS1	SLES	1	25.9395	19.519	-26.466	OSL	9008	9013	0	0	-0.28	
-9010	OS2	SLES	1	26.7166	21.8899	-26.6854	O2L	9008	0	0	0	-0.65	
-9011	OS3	SLES	1	25.7535	20.8409	-28.5806	O2L	9008	0	0	0	-0.65	
-9012	OS4	SLES	1	24.3615	21.6003	-26.8117	O2L	9008	0	0	0	-0.65	
-9013	C2	SLES	1	24.8669	19.1829	-25.4877	CC32A	9009	9014	9015	9016	-0.11	
-9014	H2A	SLES	1	24.7727	19.9901	-24.7088	HCA2	9013	0	0	0	0.09	
-9015	H2B	SLES	1	23.8918	19.0964	-26.0425	HCA2	9013	0	0	0	0.09	
-9016	C1	SLES	1	25.2128	17.7877	-24.7808	CC32A	9013	9017	9018	9019	-0.01	
-9017	H1B	SLES	1	26.2189	17.843	-24.3049	HCA2	9016	0	0	0	0.09	
-9018	H1A	SLES	1	25.218	16.9695	-25.5381	HCA2	9016	0	0	0	0.09	
-9019	O1	SLES	1	24.3564	17.2749	-23.6938	OC30A	9016	9020	0	0	-0.34	
-9020	C2	SLES	1	23.0348	17.845	-23.5897	CC32A	9019	9021	9022	9023	-0.01	
-9021	H2A	SLES	1	23.2638	18.9136	-23.4095	HCA2	9020	0	0	0	0.09	
-9022	H2B	SLES	1	22.6427	17.7319	-24.6255	HCA2	9020	0	0	0	0.09	
-9023	C1	SLES	1	21.9584	17.3642	-22.5662	CC32A	9020	9024	9025	9026	-0.01	
-9024	H1B	SLES	1	22.0435	17.9539	-21.6276	HCA2	9023	0	0	0	0.09	
-9025	H1A	SLES	1	20.9488	17.5231	-22.9952	HCA2	9023	0	0	0	0.09	
-9026	O1	SLES	1	21.9255	16.0098	-22.0118	OC30A	9023	9027	0	0	-0.34	
-9027	C1	SLES	1	20.5832	15.5144	-21.6557	CTL2	9026	9028	9029	9030	-0.18	
-9028	H11	SLES	1	19.8916	16.374	-21.7171	HAL2	9027	0	0	0	0.09	
-9029	H12	SLES	1	20.3736	14.828	-22.5021	HAL2	9027	0	0	0	0.09	
-9030	C2	SLES	1	20.3674	14.757	-20.286	CTL2	9027	9031	9032	9033	-0.18	
-9031	H21	SLES	1	21.3285	14.7369	-19.7252	HAL2	9030	0	0	0	0.09	
-9032	H22	SLES	1	20.072	13.7059	-20.4969	HAL2	9030	0	0	0	0.09	
-9033	C3	SLES	1	19.2417	15.4472	-19.3722	CTL2	9030	9034	9035	9036	-0.18	
-9034	H31	SLES	1	19.7385	16.014	-18.5535	HAL2	9033	0	0	0	0.09	
-9035	H32	SLES	1	18.6699	16.17	-19.9877	HAL2	9033	0	0	0	0.09	
-9036	C4	SLES	1	18.2335	14.4026	-18.7361	CTL2	9033	9037	9038	9039	-0.18	
-9037	H41	SLES	1	18.5075	14.24	-17.6728	HAL2	9036	0	0	0	0.09	
-9038	H42	SLES	1	18.3311	13.4313	-19.2671	HAL2	9036	0	0	0	0.09	
-9039	C5	SLES	1	16.7156	14.8867	-18.8161	CTL2	9036	9040	9041	9042	-0.18	
-9040	H51	SLES	1	16.6935	15.9836	-18.9999	HAL2	9039	0	0	0	0.09	
-9041	H52	SLES	1	16.22	14.3853	-19.6785	HAL2	9039	0	0	0	0.09	
-9042	C6	SLES	1	15.9015	14.5733	-17.5044	CTL2	9039	9043	9044	9045	-0.18	
-9043	H61	SLES	1	16.2412	15.2572	-16.6945	HAL2	9042	0	0	0	0.09	
-9044	H62	SLES	1	14.8209	14.7742	-17.6923	HAL2	9042	0	0	0	0.09	
-9045	C7	SLES	1	16.0682	13.096	-17.0269	CTL2	9042	9046	9047	9048	-0.18	
-9046	H71	SLES	1	17.0247	13.0016	-16.4665	HAL2	9045	0	0	0	0.09	
-9047	H72	SLES	1	16.1243	12.43	-17.9167	HAL2	9045	0	0	0	0.09	
-9048	C8	SLES	1	14.9044	12.6276	-16.1183	CTL2	9045	9049	9050	9051	-0.18	
-9049	H81	SLES	1	14.6997	13.4128	-15.3548	HAL2	9048	0	0	0	0.09	
-9050	H82	SLES	1	13.9871	12.5023	-16.7376	HAL2	9048	0	0	0	0.09	
-9051	C9	SLES	1	15.2161	11.2912	-15.3991	CTL2	9048	9052	9053	9054	-0.18	
-9052	H91	SLES	1	16.1499	11.4086	-14.8036	HAL2	9051	0	0	0	0.09	
-9053	H92	SLES	1	15.393	10.5008	-16.1628	HAL2	9051	0	0	0	0.09	
-9054	C10	SLES	1	14.0729	10.8389	-14.46	CTL2	9051	9055	9056	9057	-0.18	
-9055	H10	SLES	1	13.9114	11.6192	-13.6816	HAL2	9054	0	0	0	0.09	
-9056	H10	SLES	1	13.1338	10.7427	-15.0506	HAL2	9054	0	0	0	0.09	
-9057	C11	SLES	1	14.3754	9.48489	-13.765	CTL2	9054	9058	9059	9060	-0.18	
-9058	H11	SLES	1	15.3117	9.58827	-13.1702	HAL2	9057	0	0	0	0.09	
-9059	H11	SLES	1	14.5538	8.71212	-14.5473	HAL2	9057	0	0	0	0.09	
-9060	C12	SLES	1	13.2401	8.99554	-12.8289	CTL3	9057	9061	9062	9063	-0.27	
-9061	H12	SLES	1	13.6196	8.87832	-11.7898	HAL3	9060	0	0	0	0.09	
-9062	H12	SLES	1	12.8489	8.01388	-13.1762	HAL3	9060	0	0	0	0.09	
-9063	H12	SLES	1	12.4032	9.7274	-12.82	HAL3	9060	0	0	0	0.09	
-9064	NA	SLES	1	32.7441	7.21037	-28.7735	NA	0	0	0	0	1	
-9065	S	SLES	1	31.3749	10.2759	-27.332	SL	9066	9067	9068	9069	1.33	
-9066	OS1	SLES	1	30.7836	8.7387	-27.0241	OSL	9065	9070	0	0	-0.28	
-9067	OS2	SLES	1	32.7697	10.2625	-26.9423	O2L	9065	0	0	0	-0.65	
-9068	OS3	SLES	1	31.2653	10.4706	-28.7626	O2L	9065	0	0	0	-0.65	
-9069	OS4	SLES	1	30.6754	11.3418	-26.6327	O2L	9065	0	0	0	-0.65	
-9070	C2	SLES	1	29.775	8.7835	-25.9282	CC32A	9066	9071	9072	9073	-0.11	
-9071	H2A	SLES	1	30.2105	9.26213	-25.0071	HCA2	9070	0	0	0	0.09	
-9072	H2B	SLES	1	28.8967	9.39493	-26.2758	HCA2	9070	0	0	0	0.09	
-9073	C1	SLES	1	29.296	7.29341	-25.5876	CC32A	9070	9074	9075	9076	-0.01	
-9074	H1B	SLES	1	30.1768	6.66206	-25.3281	HCA2	9073	0	0	0	0.09	
-9075	H1A	SLES	1	28.7829	6.84825	-26.4717	HCA2	9073	0	0	0	0.09	
-9076	O1	SLES	1	28.3684	7.05089	-24.4657	OC30A	9073	9077	0	0	-0.34	
-9077	C2	SLES	1	27.6259	8.19081	-23.9841	CC32A	9076	9078	9079	9080	-0.01	
-9078	H2A	SLES	1	28.4392	8.8666	-23.6544	HCA2	9077	0	0	0	0.09	
-9079	H2B	SLES	1	27.1784	8.59759	-24.9188	HCA2	9077	0	0	0	0.09	
-9080	C1	SLES	1	26.5337	8.11027	-22.8716	CC32A	9077	9081	9082	9083	-0.01	
-9081	H1B	SLES	1	26.9997	8.27514	-21.8757	HCA2	9080	0	0	0	0.09	
-9082	H1A	SLES	1	25.7763	8.90088	-23.0445	HCA2	9080	0	0	0	0.09	
-9083	O1	SLES	1	25.7602	6.89947	-22.5914	OC30A	9080	9084	0	0	-0.34	
-9084	C1	SLES	1	24.4022	7.13454	-22.0673	CTL2	9083	9085	9086	9087	-0.18	
-9085	H11	SLES	1	24.3301	8.20898	-21.8192	HAL2	9084	0	0	0	0.09	
-9086	H12	SLES	1	23.7846	6.93495	-22.9673	HAL2	9084	0	0	0	0.09	
-9087	C2	SLES	1	23.873	6.27339	-20.853	CTL2	9084	9088	9089	9090	-0.18	
-9088	H21	SLES	1	24.6789	5.58314	-20.517	HAL2	9087	0	0	0	0.09	
-9089	H22	SLES	1	23.0139	5.65584	-21.1951	HAL2	9087	0	0	0	0.09	
-9090	C3	SLES	1	23.4085	7.18029	-19.6119	CTL2	9087	9091	9092	9093	-0.18	
-9091	H31	SLES	1	24.1896	7.13703	-18.8205	HAL2	9090	0	0	0	0.09	
-9092	H32	SLES	1	23.3216	8.23326	-19.9464	HAL2	9090	0	0	0	0.09	
-9093	C4	SLES	1	22.0236	6.7212	-18.9928	CTL2	9090	9094	9095	9096	-0.18	
-9094	H41	SLES	1	22.2177	6.15168	-18.06	HAL2	9093	0	0	0	0.09	
-9095	H42	SLES	1	21.5112	6.04225	-19.708	HAL2	9093	0	0	0	0.09	
-9096	C5	SLES	1	21.0604	7.94954	-18.6638	CTL2	9093	9097	9098	9099	-0.18	
-9097	H51	SLES	1	21.6632	8.8837	-18.6261	HAL2	9096	0	0	0	0.09	
-9098	H52	SLES	1	20.3152	8.0561	-19.4849	HAL2	9096	0	0	0	0.09	
-9099	C6	SLES	1	20.2958	7.78097	-17.2969	CTL2	9096	9100	9101	9102	-0.18	
-9100	H61	SLES	1	21.0158	7.9182	-16.4591	HAL2	9099	0	0	0	0.09	
-9101	H62	SLES	1	19.5193	8.57718	-17.2158	HAL2	9099	0	0	0	0.09	
-9102	C7	SLES	1	19.6095	6.38554	-17.1552	CTL2	9099	9103	9104	9105	-0.18	
-9103	H71	SLES	1	20.3687	5.63894	-16.8329	HAL2	9102	0	0	0	0.09	
-9104	H72	SLES	1	19.2175	6.07027	-18.1479	HAL2	9102	0	0	0	0.09	
-9105	C8	SLES	1	18.4461	6.39377	-16.1325	CTL2	9102	9106	9107	9108	-0.18	
-9106	H81	SLES	1	18.778	6.91892	-15.2076	HAL2	9105	0	0	0	0.09	
-9107	H82	SLES	1	17.5886	6.9608	-16.5613	HAL2	9105	0	0	0	0.09	
-9108	C9	SLES	1	17.9739	4.96549	-15.7619	CTL2	9105	9109	9110	9111	-0.18	
-9109	H91	SLES	1	18.8388	4.3898	-15.3607	HAL2	9108	0	0	0	0.09	
-9110	H92	SLES	1	17.6163	4.45124	-16.6823	HAL2	9108	0	0	0	0.09	
-9111	C10	SLES	1	16.8384	4.96699	-14.7111	CTL2	9108	9112	9113	9114	-0.18	
-9112	H10	SLES	1	17.2035	5.46072	-13.7818	HAL2	9111	0	0	0	0.09	
-9113	H10	SLES	1	15.9817	5.56106	-15.1024	HAL2	9111	0	0	0	0.09	
-9114	C11	SLES	1	16.347	3.53631	-14.3652	CTL2	9111	9115	9116	9117	-0.18	
-9115	H11	SLES	1	17.2058	2.94833	-13.9679	HAL2	9114	0	0	0	0.09	
-9116	H11	SLES	1	15.9998	3.04041	-15.3003	HAL2	9114	0	0	0	0.09	
-9117	C12	SLES	1	15.1966	3.50487	-13.326	CTL3	9114	9118	9119	9120	-0.27	
-9118	H12	SLES	1	15.5013	2.92101	-12.4296	HAL3	9117	0	0	0	0.09	
-9119	H12	SLES	1	14.291	3.03185	-13.766	HAL3	9117	0	0	0	0.09	
-9120	H12	SLES	1	14.9366	4.53708	-13.0049	HAL3	9117	0	0	0	0.09	
-9121	NA	SLES	1	32.2196	-4.72225	-29.861	NA	0	0	0	0	1	
-9122	S	SLES	1	32.7852	-1.95987	-27.5373	SL	9123	9124	9125	9126	1.33	
-9123	OS1	SLES	1	31.4089	-2.91537	-27.555	OSL	9122	9127	0	0	-0.28	
-9124	OS2	SLES	1	33.9036	-2.85842	-27.3392	O2L	9122	0	0	0	-0.65	
-9125	OS3	SLES	1	32.8694	-1.35065	-28.8481	O2L	9122	0	0	0	-0.65	
-9126	OS4	SLES	1	32.7902	-0.929238	-26.5115	O2L	9122	0	0	0	-0.65	
-9127	C2	SLES	1	30.5598	-2.61942	-26.3668	CC32A	9123	9128	9129	9130	-0.11	
-9128	H2A	SLES	1	31.1497	-2.74392	-25.4162	HCA2	9127	0	0	0	0.09	
-9129	H2B	SLES	1	30.2044	-1.55412	-26.4382	HCA2	9127	0	0	0	0.09	
-9130	C1	SLES	1	29.301	-3.60997	-26.3551	CC32A	9127	9131	9132	9133	-0.01	
-9131	H1B	SLES	1	29.6509	-4.66781	-26.3737	HCA2	9130	0	0	0	0.09	
-9132	H1A	SLES	1	28.665	-3.42613	-27.2523	HCA2	9130	0	0	0	0.09	
-9133	O1	SLES	1	28.353	-3.59098	-25.2243	OC30A	9130	9134	0	0	-0.34	
-9134	C2	SLES	1	28.3745	-2.4182	-24.3836	CC32A	9133	9135	9136	9137	-0.01	
-9135	H2A	SLES	1	29.4126	-2.43637	-23.9979	HCA2	9134	0	0	0	0.09	
-9136	H2B	SLES	1	28.281	-1.59137	-25.1232	HCA2	9134	0	0	0	0.09	
-9137	C1	SLES	1	27.3844	-2.17792	-23.2007	CC32A	9134	9138	9139	9140	-0.01	
-9138	H1B	SLES	1	27.8167	-2.58532	-22.261	HCA2	9137	0	0	0	0.09	
-9139	H1A	SLES	1	27.2228	-1.08865	-23.0743	HCA2	9137	0	0	0	0.09	
-9140	O1	SLES	1	26.0465	-2.76881	-23.1404	OC30A	9137	9141	0	0	-0.34	
-9141	C1	SLES	1	25.0447	-1.97051	-22.4101	CTL2	9140	9142	9143	9144	-0.18	
-9142	H11	SLES	1	25.5885	-1.15927	-21.893	HAL2	9141	0	0	0	0.09	
-9143	H12	SLES	1	24.4641	-1.53194	-23.2478	HAL2	9141	0	0	0	0.09	
-9144	C2	SLES	1	24.0657	-2.6833	-21.3954	CTL2	9141	9145	9146	9147	-0.18	
-9145	H21	SLES	1	24.3172	-3.76642	-21.346	HAL2	9144	0	0	0	0.09	
-9146	H22	SLES	1	23.0238	-2.59054	-21.7727	HAL2	9144	0	0	0	0.09	
-9147	C3	SLES	1	24.1486	-2.05826	-19.9186	CTL2	9144	9148	9149	9150	-0.18	
-9148	H31	SLES	1	24.7294	-2.74798	-19.2664	HAL2	9147	0	0	0	0.09	
-9149	H32	SLES	1	24.6935	-1.09431	-19.9643	HAL2	9147	0	0	0	0.09	
-9150	C4	SLES	1	22.724	-1.8135	-19.2683	CTL2	9147	9151	9152	9153	-0.18	
-9151	H41	SLES	1	22.5169	-2.62521	-18.54	HAL2	9150	0	0	0	0.09	
-9152	H42	SLES	1	21.9477	-1.8595	-20.0621	HAL2	9150	0	0	0	0.09	
-9153	C5	SLES	1	22.6219	-0.40595	-18.5245	CTL2	9150	9154	9155	9156	-0.18	
-9154	H51	SLES	1	23.6479	-0.0236919	-18.3282	HAL2	9153	0	0	0	0.09	
-9155	H52	SLES	1	22.108	0.321391	-19.1938	HAL2	9153	0	0	0	0.09	
-9156	C6	SLES	1	21.8389	-0.488139	-17.1601	CTL2	9153	9157	9158	9159	-0.18	
-9157	H61	SLES	1	22.4706	-1.01548	-16.4105	HAL2	9156	0	0	0	0.09	
-9158	H62	SLES	1	21.6537	0.54591	-16.7861	HAL2	9156	0	0	0	0.09	
-9159	C7	SLES	1	20.473	-1.23375	-17.2899	CTL2	9156	9160	9161	9162	-0.18	
-9160	H71	SLES	1	20.6547	-2.33101	-17.2621	HAL2	9159	0	0	0	0.09	
-9161	H72	SLES	1	20.0153	-0.986161	-18.2735	HAL2	9159	0	0	0	0.09	
-9162	C8	SLES	1	19.4793	-0.859466	-16.1621	CTL2	9159	9163	9164	9165	-0.18	
-9163	H81	SLES	1	20.0107	-0.890708	-15.1833	HAL2	9162	0	0	0	0.09	
-9164	H82	SLES	1	19.1193	0.181894	-16.3252	HAL2	9162	0	0	0	0.09	
-9165	C9	SLES	1	18.2601	-1.81387	-16.1069	CTL2	9162	9166	9167	9168	-0.18	
-9166	H91	SLES	1	18.6225	-2.8585	-15.9735	HAL2	9165	0	0	0	0.09	
-9167	H92	SLES	1	17.7137	-1.76097	-17.0755	HAL2	9165	0	0	0	0.09	
-9168	C10	SLES	1	17.2842	-1.4682	-14.9574	CTL2	9165	9169	9170	9171	-0.18	
-9169	H10	SLES	1	17.8247	-1.54382	-13.9863	HAL2	9168	0	0	0	0.09	
-9170	H10	SLES	1	16.9385	-0.41649	-15.0777	HAL2	9168	0	0	0	0.09	
-9171	C11	SLES	1	16.049	-2.4069	-14.924	CTL2	9168	9172	9173	9174	-0.18	
-9172	H11	SLES	1	16.3995	-3.45667	-14.7967	HAL2	9171	0	0	0	0.09	
-9173	H11	SLES	1	15.5221	-2.34138	-15.9034	HAL2	9171	0	0	0	0.09	
-9174	C12	SLES	1	15.0424	-2.07542	-13.792	CTL3	9171	9175	9176	9177	-0.27	
-9175	H12	SLES	1	14.9193	-2.95013	-13.1159	HAL3	9174	0	0	0	0.09	
-9176	H12	SLES	1	14.0494	-1.8167	-14.2212	HAL3	9174	0	0	0	0.09	
-9177	H12	SLES	1	15.4049	-1.2123	-13.1922	HAL3	9174	0	0	0	0.09	
-9178	NA	SLES	1	27.8066	-15.2141	-30.78	NA	0	0	0	0	1	
-9179	S	SLES	1	29.4929	-13.9515	-27.7946	SL	9180	9181	9182	9183	1.33	
-9180	OS1	SLES	1	27.837	-13.8914	-28.0433	OSL	9179	9184	0	0	-0.28	
-9181	OS2	SLES	1	29.8685	-15.3475	-27.8816	O2L	9179	0	0	0	-0.65	
-9182	OS3	SLES	1	30.0912	-13.2117	-28.8861	O2L	9179	0	0	0	-0.65	
-9183	OS4	SLES	1	29.9318	-13.3988	-26.5232	O2L	9179	0	0	0	-0.65	
-9184	C2	SLES	1	27.1437	-13.4533	-26.7992	CC32A	9180	9185	9186	9187	-0.11	
-9185	H2A	SLES	1	27.4184	-14.1209	-25.9355	HCA2	9184	0	0	0	0.09	
-9186	H2B	SLES	1	27.465	-12.4011	-26.5629	HCA2	9184	0	0	0	0.09	
-9187	C1	SLES	1	25.5596	-13.4957	-27.0324	CC32A	9184	9188	9189	9190	-0.01	
-9188	H1B	SLES	1	25.2508	-14.5174	-27.3528	HCA2	9187	0	0	0	0.09	
-9189	H1A	SLES	1	25.2732	-12.768	-27.8271	HCA2	9187	0	0	0	0.09	
-9190	O1	SLES	1	24.6379	-13.2019	-25.9179	OC30A	9187	9191	0	0	-0.34	
-9191	C2	SLES	1	25.1966	-12.5039	-24.7851	CC32A	9190	9192	9193	9194	-0.01	
-9192	H2A	SLES	1	25.9763	-13.2134	-24.4453	HCA2	9191	0	0	0	0.09	
-9193	H2B	SLES	1	25.6918	-11.6289	-25.2632	HCA2	9191	0	0	0	0.09	
-9194	C1	SLES	1	24.358	-12.026	-23.5581	CC32A	9191	9195	9196	9197	-0.01	
-9195	H1B	SLES	1	24.3466	-12.8196	-22.7795	HCA2	9194	0	0	0	0.09	
-9196	H1A	SLES	1	24.8224	-11.1152	-23.1299	HCA2	9194	0	0	0	0.09	
-9197	O1	SLES	1	22.9277	-11.7233	-23.6315	OC30A	9194	9198	0	0	-0.34	
-9198	C1	SLES	1	22.4585	-10.6959	-22.6837	CTL2	9197	9199	9200	9201	-0.18	
-9199	H11	SLES	1	23.2846	-10.5047	-21.9749	HAL2	9198	0	0	0	0.09	
-9200	H12	SLES	1	22.3523	-9.81642	-23.3519	HAL2	9198	0	0	0	0.09	
-9201	C2	SLES	1	21.1158	-10.9255	-21.8833	CTL2	9198	9202	9203	9204	-0.18	
-9202	H21	SLES	1	20.703	-11.926	-22.1432	HAL2	9201	0	0	0	0.09	
-9203	H22	SLES	1	20.3739	-10.1577	-22.1942	HAL2	9201	0	0	0	0.09	
-9204	C3	SLES	1	21.3254	-10.8419	-20.2935	CTL2	9201	9205	9206	9207	-0.18	
-9205	H31	SLES	1	21.3165	-11.8723	-19.8732	HAL2	9204	0	0	0	0.09	
-9206	H32	SLES	1	22.3185	-10.3975	-20.0828	HAL2	9204	0	0	0	0.09	
-9207	C4	SLES	1	20.2115	-9.98043	-19.5659	CTL2	9204	9208	9209	9210	-0.18	
-9208	H41	SLES	1	19.4819	-10.6664	-19.0871	HAL2	9207	0	0	0	0.09	
-9209	H42	SLES	1	19.6668	-9.37483	-20.3219	HAL2	9207	0	0	0	0.09	
-9210	C5	SLES	1	20.8157	-9.00466	-18.4579	CTL2	9207	9211	9212	9213	-0.18	
-9211	H51	SLES	1	21.8381	-9.35023	-18.1883	HAL2	9210	0	0	0	0.09	
-9212	H52	SLES	1	20.9026	-7.97979	-18.8858	HAL2	9210	0	0	0	0.09	
-9213	C6	SLES	1	19.9381	-8.94148	-17.1513	CTL2	9210	9214	9215	9216	-0.18	
-9214	H61	SLES	1	20.0483	-9.89849	-16.5936	HAL2	9213	0	0	0	0.09	
-9215	H62	SLES	1	20.3169	-8.11936	-16.5001	HAL2	9213	0	0	0	0.09	
-9216	C7	SLES	1	18.4249	-8.69725	-17.4496	CTL2	9213	9217	9218	9219	-0.18	
-9217	H71	SLES	1	17.9504	-9.66299	-17.7324	HAL2	9216	0	0	0	0.09	
-9218	H72	SLES	1	18.3319	-8.00269	-18.3141	HAL2	9216	0	0	0	0.09	
-9219	C8	SLES	1	17.6667	-8.09978	-16.2381	CTL2	9216	9220	9221	9222	-0.18	
-9220	H81	SLES	1	17.9423	-8.66762	-15.32	HAL2	9219	0	0	0	0.09	
-9221	H82	SLES	1	17.9838	-7.04148	-16.0964	HAL2	9219	0	0	0	0.09	
-9222	C9	SLES	1	16.1289	-8.14757	-16.4204	CTL2	9219	9223	9224	9225	-0.18	
-9223	H91	SLES	1	15.8162	-9.20266	-16.5916	HAL2	9222	0	0	0	0.09	
-9224	H92	SLES	1	15.8519	-7.55661	-17.3223	HAL2	9222	0	0	0	0.09	
-9225	C10	SLES	1	15.366	-7.58791	-15.1964	CTL2	9222	9226	9227	9228	-0.18	
-9226	H10	SLES	1	15.625	-8.19371	-14.2983	HAL2	9225	0	0	0	0.09	
-9227	H10	SLES	1	15.6945	-6.54016	-15.0111	HAL2	9225	0	0	0	0.09	
-9228	C11	SLES	1	13.8271	-7.60892	-15.395	CTL2	9225	9229	9230	9231	-0.18	
-9229	H11	SLES	1	13.5027	-8.65969	-15.5731	HAL2	9228	0	0	0	0.09	
-9230	H11	SLES	1	13.5746	-7.01691	-16.3042	HAL2	9228	0	0	0	0.09	
-9231	C12	SLES	1	13.0337	-7.03834	-14.191	CTL3	9228	9232	9233	9234	-0.27	
-9232	H12	SLES	1	12.3445	-7.80962	-13.7819	HAL3	9231	0	0	0	0.09	
-9233	H12	SLES	1	12.4325	-6.15738	-14.5069	HAL3	9231	0	0	0	0.09	
-9234	H12	SLES	1	13.7297	-6.72136	-13.384	HAL3	9231	0	0	0	0.09	
-9235	NA	SLES	1	20.4477	-23.324	-31.4637	NA	0	0	0	0	1	
-9236	S	SLES	1	21.8437	-23.8472	-28.1278	SL	9237	9238	9239	9240	1.33	
-9237	OS1	SLES	1	20.6105	-22.7688	-28.4795	OSL	9236	9241	0	0	-0.28	
-9238	OS2	SLES	1	21.38	-25.1512	-28.5547	O2L	9236	0	0	0	-0.65	
-9239	OS3	SLES	1	22.9766	-23.44	-28.9324	O2L	9236	0	0	0	-0.65	
-9240	OS4	SLES	1	22.2236	-23.8916	-26.7249	O2L	9236	0	0	0	-0.65	
-9241	C2	SLES	1	20.0286	-22.222	-27.2215	CC32A	9237	9242	9243	9244	-0.11	
-9242	H2A	SLES	1	19.6832	-23.0557	-26.5486	HCA2	9241	0	0	0	0.09	
-9243	H2B	SLES	1	20.8229	-21.6291	-26.6887	HCA2	9241	0	0	0	0.09	
-9244	C1	SLES	1	18.7917	-21.2694	-27.58	CC32A	9241	9245	9246	9247	-0.01	
-9245	H1B	SLES	1	18.0431	-21.8315	-28.1845	HCA2	9244	0	0	0	0.09	
-9246	H1A	SLES	1	19.1464	-20.3933	-28.1715	HCA2	9244	0	0	0	0.09	
-9247	O1	SLES	1	17.9752	-20.6773	-26.5027	OC30A	9244	9248	0	0	-0.34	
-9248	C2	SLES	1	18.5629	-20.6557	-25.1849	CC32A	9247	9249	9250	9251	-0.01	
-9249	H2A	SLES	1	18.7125	-21.7352	-24.9871	HCA2	9248	0	0	0	0.09	
-9250	H2B	SLES	1	19.5541	-20.1846	-25.3721	HCA2	9248	0	0	0	0.09	
-9251	C1	SLES	1	17.8911	-19.988	-23.9439	CC32A	9248	9252	9253	9254	-0.01	
-9252	H1B	SLES	1	17.2654	-20.7351	-23.4087	HCA2	9251	0	0	0	0.09	
-9253	H1A	SLES	1	18.678	-19.624	-23.2534	HCA2	9251	0	0	0	0.09	
-9254	O1	SLES	1	16.9354	-18.8838	-24.0449	OC30A	9251	9255	0	0	-0.34	
-9255	C1	SLES	1	16.928	-17.9587	-22.8968	CTL2	9254	9256	9257	9258	-0.18	
-9256	H11	SLES	1	17.5383	-18.4223	-22.1007	HAL2	9255	0	0	0	0.09	
-9257	H12	SLES	1	17.4836	-17.0927	-23.3123	HAL2	9255	0	0	0	0.09	
-9258	C2	SLES	1	15.5511	-17.4721	-22.2937	CTL2	9255	9259	9260	9261	-0.18	
-9259	H21	SLES	1	14.718	-17.9658	-22.8424	HAL2	9258	0	0	0	0.09	
-9260	H22	SLES	1	15.458	-16.3744	-22.4452	HAL2	9258	0	0	0	0.09	
-9261	C3	SLES	1	15.4149	-17.8011	-20.7279	CTL2	9258	9262	9263	9264	-0.18	
-9262	H31	SLES	1	14.7375	-18.6746	-20.5998	HAL2	9261	0	0	0	0.09	
-9263	H32	SLES	1	16.4103	-18.0816	-20.3297	HAL2	9261	0	0	0	0.09	
-9264	C4	SLES	1	14.8485	-16.5836	-19.8858	CTL2	9261	9265	9266	9267	-0.18	
-9265	H41	SLES	1	13.776	-16.7666	-19.6657	HAL2	9264	0	0	0	0.09	
-9266	H42	SLES	1	14.9199	-15.6554	-20.4928	HAL2	9264	0	0	0	0.09	
-9267	C5	SLES	1	15.6337	-16.3673	-18.5141	CTL2	9264	9268	9269	9270	-0.18	
-9268	H51	SLES	1	16.1966	-17.2946	-18.2678	HAL2	9267	0	0	0	0.09	
-9269	H52	SLES	1	16.372	-15.5434	-18.6448	HAL2	9267	0	0	0	0.09	
-9270	C6	SLES	1	14.6807	-16.0148	-17.3104	CTL2	9267	9271	9272	9273	-0.18	
-9271	H61	SLES	1	14.1092	-16.9253	-17.0214	HAL2	9270	0	0	0	0.09	
-9272	H62	SLES	1	15.3005	-15.707	-16.436	HAL2	9270	0	0	0	0.09	
-9273	C7	SLES	1	13.6756	-14.8689	-17.6495	CTL2	9270	9274	9275	9276	-0.18	
-9274	H71	SLES	1	12.8177	-15.2946	-18.2157	HAL2	9273	0	0	0	0.09	
-9275	H72	SLES	1	14.1812	-14.1225	-18.3018	HAL2	9273	0	0	0	0.09	
-9276	C8	SLES	1	13.1384	-14.1528	-16.3853	CTL2	9273	9277	9278	9279	-0.18	
-9277	H81	SLES	1	12.8376	-14.918	-15.6334	HAL2	9276	0	0	0	0.09	
-9278	H82	SLES	1	13.9536	-13.5366	-15.942	HAL2	9276	0	0	0	0.09	
-9279	C9	SLES	1	11.9243	-13.2407	-16.6927	CTL2	9276	9280	9281	9282	-0.18	
-9280	H91	SLES	1	11.1209	-13.852	-17.1631	HAL2	9279	0	0	0	0.09	
-9281	H92	SLES	1	12.2333	-12.4592	-17.423	HAL2	9279	0	0	0	0.09	
-9282	C10	SLES	1	11.3594	-12.5536	-15.427	CTL2	9279	9283	9284	9285	-0.18	
-9283	H10	SLES	1	11.0286	-13.3353	-14.7058	HAL2	9282	0	0	0	0.09	
-9284	H10	SLES	1	12.1682	-11.9599	-14.9439	HAL2	9282	0	0	0	0.09	
-9285	C11	SLES	1	10.1631	-11.6171	-15.7431	CTL2	9282	9286	9287	9288	-0.18	
-9286	H11	SLES	1	9.35429	-12.2168	-16.2198	HAL2	9285	0	0	0	0.09	
-9287	H11	SLES	1	10.4939	-10.8482	-16.4782	HAL2	9285	0	0	0	0.09	
-9288	C12	SLES	1	9.58444	-10.8998	-14.496	CTL3	9285	9289	9290	9291	-0.27	
-9289	H12	SLES	1	8.51168	-11.1619	-14.3624	HAL3	9288	0	0	0	0.09	
-9290	H12	SLES	1	9.66809	-9.7966	-14.6111	HAL3	9288	0	0	0	0.09	
-9291	H12	SLES	1	10.1398	-11.2038	-13.5821	HAL3	9288	0	0	0	0.09	
-9292	NA	SLES	1	11.0616	-28.5226	-31.8776	NA	0	0	0	0	1	
-9293	S	SLES	1	10.9617	-30.0289	-28.5502	SL	9294	9295	9296	9297	1.33	
-9294	OS1	SLES	1	10.7079	-28.4021	-28.861	OSL	9293	9298	0	0	-0.28	
-9295	OS2	SLES	1	9.97382	-30.7515	-29.3245	O2L	9293	0	0	0	-0.65	
-9296	OS3	SLES	1	12.2897	-30.3306	-29.0423	O2L	9293	0	0	0	-0.65	
-9297	OS4	SLES	1	10.8583	-30.3978	-27.1475	O2L	9293	0	0	0	-0.65	
-9298	C2	SLES	1	10.23	-27.7101	-27.6309	CC32A	9294	9299	9300	9301	-0.11	
-9299	H2A	SLES	1	9.30806	-28.2127	-27.2253	HCA2	9298	0	0	0	0.09	
-9300	H2B	SLES	1	11.0432	-27.7593	-26.8546	HCA2	9298	0	0	0	0.09	
-9301	C1	SLES	1	9.9037	-26.1804	-27.9764	CC32A	9298	9302	9303	9304	-0.01	
-9302	H1B	SLES	1	9.16271	-26.1291	-28.8071	HCA2	9301	0	0	0	0.09	
-9303	H1A	SLES	1	10.8352	-25.6557	-28.2929	HCA2	9301	0	0	0	0.09	
-9304	O1	SLES	1	9.31705	-25.2973	-26.9498	OC30A	9301	9305	0	0	-0.34	
-9305	C2	SLES	1	9.43548	-25.7331	-25.5792	CC32A	9304	9306	9307	9308	-0.01	
-9306	H2A	SLES	1	8.88602	-26.6947	-25.6002	HCA2	9305	0	0	0	0.09	
-9307	H2B	SLES	1	10.5247	-25.9444	-25.4881	HCA2	9305	0	0	0	0.09	
-9308	C1	SLES	1	8.96077	-24.8896	-24.3543	CC32A	9305	9309	9310	9311	-0.01	
-9309	H1B	SLES	1	7.90654	-25.144	-24.1096	HCA2	9308	0	0	0	0.09	
-9310	H1A	SLES	1	9.59616	-25.1276	-23.4778	HCA2	9308	0	0	0	0.09	
-9311	O1	SLES	1	8.87079	-23.4286	-24.3715	OC30A	9308	9312	0	0	-0.34	
-9312	C1	SLES	1	9.08441	-22.7755	-23.0669	CTL2	9311	9313	9314	9315	-0.18	
-9313	H11	SLES	1	9.08401	-23.5712	-22.3001	HAL2	9312	0	0	0	0.09	
-9314	H12	SLES	1	10.1197	-22.3933	-23.1825	HAL2	9312	0	0	0	0.09	
-9315	C2	SLES	1	8.12795	-21.6024	-22.6141	CTL2	9312	9316	9317	9318	-0.18	
-9316	H21	SLES	1	7.34522	-21.4499	-23.3905	HAL2	9315	0	0	0	0.09	
-9317	H22	SLES	1	8.71934	-20.664	-22.5351	HAL2	9315	0	0	0	0.09	
-9318	C3	SLES	1	7.4175	-21.8973	-21.2046	CTL2	9315	9319	9320	9321	-0.18	
-9319	H31	SLES	1	6.35974	-22.1905	-21.3875	HAL2	9318	0	0	0	0.09	
-9320	H32	SLES	1	7.92699	-22.7509	-20.7147	HAL2	9318	0	0	0	0.09	
-9321	C4	SLES	1	7.44355	-20.6517	-20.2247	CTL2	9318	9322	9323	9324	-0.18	
-9322	H41	SLES	1	6.44588	-20.1652	-20.2349	HAL2	9321	0	0	0	0.09	
-9323	H42	SLES	1	8.1882	-19.9134	-20.5927	HAL2	9321	0	0	0	0.09	
-9324	C5	SLES	1	7.81198	-21.0564	-18.7263	CTL2	9321	9325	9326	9327	-0.18	
-9325	H51	SLES	1	7.65783	-22.1505	-18.5973	HAL2	9324	0	0	0	0.09	
-9326	H52	SLES	1	8.88967	-20.8391	-18.5465	HAL2	9324	0	0	0	0.09	
-9327	C6	SLES	1	6.94922	-20.2903	-17.6538	CTL2	9324	9328	9329	9330	-0.18	
-9328	H61	SLES	1	5.91001	-20.6887	-17.6723	HAL2	9327	0	0	0	0.09	
-9329	H62	SLES	1	7.37351	-20.4855	-16.6413	HAL2	9327	0	0	0	0.09	
-9330	C7	SLES	1	6.908	-18.7487	-17.899	CTL2	9327	9331	9332	9333	-0.18	
-9331	H71	SLES	1	6.14923	-18.526	-18.6816	HAL2	9330	0	0	0	0.09	
-9332	H72	SLES	1	7.89964	-18.4136	-18.2768	HAL2	9330	0	0	0	0.09	
-9333	C8	SLES	1	6.55941	-17.9499	-16.6184	CTL2	9330	9334	9335	9336	-0.18	
-9334	H81	SLES	1	5.69004	-18.4311	-16.1144	HAL2	9333	0	0	0	0.09	
-9335	H82	SLES	1	7.42592	-17.9865	-15.9196	HAL2	9333	0	0	0	0.09	
-9336	C9	SLES	1	6.21421	-16.4699	-16.9198	CTL2	9333	9337	9338	9339	-0.18	
-9337	H91	SLES	1	5.36686	-16.4344	-17.6417	HAL2	9336	0	0	0	0.09	
-9338	H92	SLES	1	7.09344	-15.9824	-17.3981	HAL2	9336	0	0	0	0.09	
-9339	C10	SLES	1	5.8272	-15.6774	-15.6488	CTL2	9336	9340	9341	9342	-0.18	
-9340	H10	SLES	1	4.93324	-16.1512	-15.1829	HAL2	9339	0	0	0	0.09	
-9341	H10	SLES	1	6.66532	-15.731	-14.9175	HAL2	9339	0	0	0	0.09	
-9342	C11	SLES	1	5.51197	-14.1881	-15.9501	CTL2	9339	9343	9344	9345	-0.18	
-9343	H11	SLES	1	4.66871	-14.1398	-16.6765	HAL2	9342	0	0	0	0.09	
-9344	H11	SLES	1	6.40229	-13.7235	-16.4321	HAL2	9342	0	0	0	0.09	
-9345	C12	SLES	1	5.13633	-13.362	-14.6927	CTL3	9342	9346	9347	9348	-0.27	
-9346	H12	SLES	1	4.11658	-12.9317	-14.8034	HAL3	9345	0	0	0	0.09	
-9347	H12	SLES	1	5.85883	-12.5288	-14.5476	HAL3	9345	0	0	0	0.09	
-9348	H12	SLES	1	5.15239	-14.0067	-13.787	HAL3	9345	0	0	0	0.09	
-9349	NA	SLES	1	0.466923	-30.434	-32.0255	NA	0	0	0	0	1	
-9350	S	SLES	1	-1.40227	-31.4711	-29.0622	SL	9351	9352	9353	9354	1.33	
-9351	OS1	SLES	1	-0.558285	-30.0296	-29.1926	OSL	9350	9355	0	0	-0.28	
-9352	OS2	SLES	1	-2.36715	-31.4785	-30.1422	O2L	9350	0	0	0	-0.65	
-9353	OS3	SLES	1	-0.430956	-32.5261	-29.2627	O2L	9350	0	0	0	-0.65	
-9354	OS4	SLES	1	-2.08125	-31.659	-27.7902	O2L	9350	0	0	0	-0.65	
-9355	C2	SLES	1	-0.854521	-29.1507	-28.0264	CC32A	9351	9356	9357	9358	-0.11	
-9356	H2A	SLES	1	-1.96335	-28.9848	-27.9257	HCA2	9355	0	0	0	0.09	
-9357	H2B	SLES	1	-0.475413	-29.6543	-27.0942	HCA2	9355	0	0	0	0.09	
-9358	C1	SLES	1	-0.113225	-27.7442	-28.221	CC32A	9355	9359	9360	9361	-0.01	
-9359	H1B	SLES	1	-0.421142	-27.284	-29.188	HCA2	9358	0	0	0	0.09	
-9360	H1A	SLES	1	0.991393	-27.8954	-28.2307	HCA2	9358	0	0	0	0.09	
-9361	O1	SLES	1	-0.324786	-26.6538	-27.2493	OC30A	9358	9362	0	0	-0.34	
-9362	C2	SLES	1	-0.864913	-27.0295	-25.9649	CC32A	9361	9363	9364	9365	-0.01	
-9363	H2A	SLES	1	-1.84141	-27.4675	-26.2504	HCA2	9362	0	0	0	0.09	
-9364	H2B	SLES	1	-0.182447	-27.8503	-25.6487	HCA2	9362	0	0	0	0.09	
-9365	C1	SLES	1	-1.06857	-26.0318	-24.7816	CC32A	9362	9366	9367	9368	-0.01	
-9366	H1B	SLES	1	-2.08895	-25.5932	-24.832	HCA2	9365	0	0	0	0.09	
-9367	H1A	SLES	1	-0.963085	-26.5761	-23.8217	HCA2	9365	0	0	0	0.09	
-9368	O1	SLES	1	-0.277083	-24.8118	-24.6142	OC30A	9365	9369	0	0	-0.34	
-9369	C1	SLES	1	-0.0888336	-24.3775	-23.2178	CTL2	9368	9370	9371	9372	-0.18	
-9370	H11	SLES	1	-0.765007	-24.9882	-22.5925	HAL2	9369	0	0	0	0.09	
-9371	H12	SLES	1	0.95654	-24.6985	-23.0297	HAL2	9369	0	0	0	0.09	
-9372	C2	SLES	1	-0.255686	-22.8513	-22.8445	CTL2	9369	9373	9374	9375	-0.18	
-9373	H21	SLES	1	-0.551034	-22.2835	-23.7551	HAL2	9372	0	0	0	0.09	
-9374	H22	SLES	1	0.723411	-22.4552	-22.4966	HAL2	9372	0	0	0	0.09	
-9375	C3	SLES	1	-1.35636	-22.6149	-21.6995	CTL2	9372	9376	9377	9378	-0.18	
-9376	H31	SLES	1	-2.28506	-22.2188	-22.1674	HAL2	9375	0	0	0	0.09	
-9377	H32	SLES	1	-1.60156	-23.5873	-21.2277	HAL2	9375	0	0	0	0.09	
-9378	C4	SLES	1	-0.875433	-21.605	-20.5765	CTL2	9375	9379	9380	9381	-0.18	
-9379	H41	SLES	1	-1.349	-20.617	-20.7546	HAL2	9378	0	0	0	0.09	
-9380	H42	SLES	1	0.225808	-21.475	-20.65	HAL2	9378	0	0	0	0.09	
-9381	C5	SLES	1	-1.24153	-22.1022	-19.1056	CTL2	9378	9382	9383	9384	-0.18	
-9382	H51	SLES	1	-2.0351	-22.8789	-19.1718	HAL2	9381	0	0	0	0.09	
-9383	H52	SLES	1	-0.341265	-22.5711	-18.6467	HAL2	9381	0	0	0	0.09	
-9384	C6	SLES	1	-1.74488	-20.9378	-18.1717	CTL2	9381	9385	9386	9387	-0.18	
-9385	H61	SLES	1	-2.76607	-20.6316	-18.4919	HAL2	9384	0	0	0	0.09	
-9386	H62	SLES	1	-1.81268	-21.3166	-17.1251	HAL2	9384	0	0	0	0.09	
-9387	C7	SLES	1	-0.806548	-19.69	-18.2007	CTL2	9384	9388	9389	9390	-0.18	
-9388	H71	SLES	1	-1.04084	-19.0807	-19.1016	HAL2	9387	0	0	0	0.09	
-9389	H72	SLES	1	0.249717	-20.0307	-18.2815	HAL2	9387	0	0	0	0.09	
-9390	C8	SLES	1	-0.955396	-18.802	-16.9402	CTL2	9387	9391	9392	9393	-0.18	
-9391	H81	SLES	1	-2.03849	-18.6474	-16.7294	HAL2	9390	0	0	0	0.09	
-9392	H82	SLES	1	-0.50705	-19.3301	-16.068	HAL2	9390	0	0	0	0.09	
-9393	C9	SLES	1	-0.269694	-17.4224	-17.1039	CTL2	9390	9394	9395	9396	-0.18	
-9394	H91	SLES	1	-0.697812	-16.9074	-17.9937	HAL2	9393	0	0	0	0.09	
-9395	H92	SLES	1	0.817585	-17.577	-17.2867	HAL2	9393	0	0	0	0.09	
-9396	C10	SLES	1	-0.448934	-16.5166	-15.8625	CTL2	9393	9397	9398	9399	-0.18	
-9397	H10	SLES	1	-1.53606	-16.3426	-15.6932	HAL2	9396	0	0	0	0.09	
-9398	H10	SLES	1	-0.0410284	-17.0402	-14.9684	HAL2	9396	0	0	0	0.09	
-9399	C11	SLES	1	0.265038	-15.1476	-16.0177	CTL2	9396	9400	9401	9402	-0.18	
-9400	H11	SLES	1	-0.151186	-14.625	-16.9092	HAL2	9399	0	0	0	0.09	
-9401	H11	SLES	1	1.34842	-15.3273	-16.2047	HAL2	9399	0	0	0	0.09	
-9402	C12	SLES	1	0.117857	-14.2224	-14.7821	CTL3	9399	9403	9404	9405	-0.27	
-9403	H12	SLES	1	-0.377914	-13.2691	-15.07	HAL3	9402	0	0	0	0.09	
-9404	H12	SLES	1	1.11731	-13.987	-14.3543	HAL3	9402	0	0	0	0.09	
-9405	H12	SLES	1	-0.495313	-14.718	-13.9982	HAL3	9402	0	0	0	0.09	
-9406	NA	SLES	1	-10.4467	-28.6734	-31.9497	NA	0	0	0	0	1	
-9407	S	SLES	1	-13.2034	-27.9914	-29.6507	SL	9408	9409	9410	9411	1.33	
-9408	OS1	SLES	1	-11.6573	-27.3669	-29.4866	OSL	9407	9412	0	0	-0.28	
-9409	OS2	SLES	1	-13.6792	-27.5673	-30.9512	O2L	9407	0	0	0	-0.65	
-9410	OS3	SLES	1	-13.0608	-29.4321	-29.6245	O2L	9407	0	0	0	-0.65	
-9411	OS4	SLES	1	-14.1371	-27.5678	-28.6195	O2L	9407	0	0	0	-0.65	
-9412	C2	SLES	1	-11.6277	-26.3387	-28.4085	CC32A	9408	9413	9414	9415	-0.11	
-9413	H2A	SLES	1	-12.3906	-25.5347	-28.6054	HCA2	9412	0	0	0	0.09	
-9414	H2B	SLES	1	-11.8704	-26.8396	-27.4305	HCA2	9412	0	0	0	0.09	
-9415	C1	SLES	1	-10.1652	-25.6894	-28.3354	CC32A	9412	9416	9417	9418	-0.01	
-9416	H1B	SLES	1	-9.88658	-25.27	-29.3295	HCA2	9415	0	0	0	0.09	
-9417	H1A	SLES	1	-9.41839	-26.4672	-28.0516	HCA2	9415	0	0	0	0.09	
-9418	O1	SLES	1	-9.89623	-24.5697	-27.4125	OC30A	9415	9419	0	0	-0.34	
-9419	C2	SLES	1	-10.8418	-24.3761	-26.3397	CC32A	9418	9420	9421	9422	-0.01	
-9420	H2A	SLES	1	-11.7787	-24.181	-26.8975	HCA2	9419	0	0	0	0.09	
-9421	H2B	SLES	1	-10.8997	-25.3906	-25.8851	HCA2	9419	0	0	0	0.09	
-9422	C1	SLES	1	-10.674	-23.3064	-25.2151	CC32A	9419	9423	9424	9425	-0.01	
-9423	H1B	SLES	1	-11.168	-22.3588	-25.5219	HCA2	9422	0	0	0	0.09	
-9424	H1A	SLES	1	-11.1552	-23.6732	-24.2864	HCA2	9422	0	0	0	0.09	
-9425	O1	SLES	1	-9.37375	-22.7868	-24.7882	OC30A	9422	9426	0	0	-0.34	
-9426	C1	SLES	1	-9.30261	-22.3686	-23.3761	CTL2	9425	9427	9428	9429	-0.18	
-9427	H11	SLES	1	-10.3357	-22.3681	-22.9839	HAL2	9426	0	0	0	0.09	
-9428	H12	SLES	1	-8.75133	-23.2196	-22.9252	HAL2	9426	0	0	0	0.09	
-9429	C2	SLES	1	-8.59142	-21.0094	-22.9982	CTL2	9426	9430	9431	9432	-0.18	
-9430	H21	SLES	1	-8.25146	-20.5045	-23.93	HAL2	9429	0	0	0	0.09	
-9431	H22	SLES	1	-7.69299	-21.2308	-22.3814	HAL2	9429	0	0	0	0.09	
-9432	C3	SLES	1	-9.55606	-20.0155	-22.1856	CTL2	9429	9433	9434	9435	-0.18	
-9433	H31	SLES	1	-9.90623	-19.2116	-22.8707	HAL2	9432	0	0	0	0.09	
-9434	H32	SLES	1	-10.4457	-20.5784	-21.8394	HAL2	9432	0	0	0	0.09	
-9435	C4	SLES	1	-8.84805	-19.3511	-20.9329	CTL2	9432	9436	9437	9438	-0.18	
-9436	H41	SLES	1	-8.56362	-18.3096	-21.1909	HAL2	9435	0	0	0	0.09	
-9437	H42	SLES	1	-7.91762	-19.9122	-20.6994	HAL2	9435	0	0	0	0.09	
-9438	C5	SLES	1	-9.78042	-19.3324	-19.6386	CTL2	9435	9439	9440	9441	-0.18	
-9439	H51	SLES	1	-10.8372	-19.4857	-19.9502	HAL2	9438	0	0	0	0.09	
-9440	H52	SLES	1	-9.49382	-20.1783	-18.9729	HAL2	9438	0	0	0	0.09	
-9441	C6	SLES	1	-9.67834	-17.9855	-18.8281	CTL2	9438	9442	9443	9444	-0.18	
-9442	H61	SLES	1	-10.1887	-17.1783	-19.4	HAL2	9441	0	0	0	0.09	
-9443	H62	SLES	1	-10.2111	-18.1067	-17.856	HAL2	9441	0	0	0	0.09	
-9444	C7	SLES	1	-8.20288	-17.5573	-18.549	CTL2	9441	9445	9446	9447	-0.18	
-9445	H71	SLES	1	-7.79383	-17.0545	-19.4532	HAL2	9444	0	0	0	0.09	
-9446	H72	SLES	1	-7.59071	-18.466	-18.3546	HAL2	9444	0	0	0	0.09	
-9447	C8	SLES	1	-8.07875	-16.597	-17.3399	CTL2	9444	9448	9449	9450	-0.18	
-9448	H81	SLES	1	-8.8555	-15.8027	-17.4244	HAL2	9447	0	0	0	0.09	
-9449	H82	SLES	1	-8.26954	-17.1664	-16.4018	HAL2	9447	0	0	0	0.09	
-9450	C9	SLES	1	-6.68212	-15.9319	-17.2533	CTL2	9447	9451	9452	9453	-0.18	
-9451	H91	SLES	1	-6.47977	-15.3873	-18.2034	HAL2	9450	0	0	0	0.09	
-9452	H92	SLES	1	-5.90894	-16.7251	-17.1407	HAL2	9450	0	0	0	0.09	
-9453	C10	SLES	1	-6.56561	-14.942	-16.0701	CTL2	9450	9454	9455	9456	-0.18	
-9454	H10	SLES	1	-7.32367	-14.1355	-16.1948	HAL2	9453	0	0	0	0.09	
-9455	H10	SLES	1	-6.78953	-15.4809	-15.1217	HAL2	9453	0	0	0	0.09	
-9456	C11	SLES	1	-5.15607	-14.3011	-15.9682	CTL2	9453	9457	9458	9459	-0.18	
-9457	H11	SLES	1	-4.93967	-13.7577	-16.9163	HAL2	9456	0	0	0	0.09	
-9458	H11	SLES	1	-4.40005	-15.1123	-15.8617	HAL2	9456	0	0	0	0.09	
-9459	C12	SLES	1	-5.00205	-13.3155	-14.781	CTL3	9456	9460	9461	9462	-0.27	
-9460	H12	SLES	1	-4.72919	-12.303	-15.1521	HAL3	9459	0	0	0	0.09	
-9461	H12	SLES	1	-4.20503	-13.6659	-14.0887	HAL3	9459	0	0	0	0.09	
-9462	H12	SLES	1	-5.95562	-13.24	-14.2143	HAL3	9459	0	0	0	0.09	
-9463	NA	SLES	1	-20.4663	-22.9486	-31.7265	NA	0	0	0	0	1	
-9464	S	SLES	1	-22.5288	-20.2963	-30.2907	SL	9465	9466	9467	9468	1.33	
-9465	OS1	SLES	1	-20.9889	-20.69	-29.7605	OSL	9464	9469	0	0	-0.28	
-9466	OS2	SLES	1	-22.4046	-19.9634	-31.6947	O2L	9464	0	0	0	-0.65	
-9467	OS3	SLES	1	-23.3262	-21.4951	-30.1378	O2L	9464	0	0	0	-0.65	
-9468	OS4	SLES	1	-23.1497	-19.1942	-29.5735	O2L	9464	0	0	0	-0.65	
-9469	C2	SLES	1	-20.5062	-19.6775	-28.7796	CC32A	9465	9470	9471	9472	-0.11	
-9470	H2A	SLES	1	-20.5503	-18.6434	-29.222	HCA2	9469	0	0	0	0.09	
-9471	H2B	SLES	1	-21.1706	-19.7142	-27.8721	HCA2	9469	0	0	0	0.09	
-9472	C1	SLES	1	-18.9989	-20.022	-28.3608	CC32A	9469	9473	9474	9475	-0.01	
-9473	H1B	SLES	1	-18.3554	-20.0733	-29.2691	HCA2	9472	0	0	0	0.09	
-9474	H1A	SLES	1	-18.9654	-21.0077	-27.8406	HCA2	9472	0	0	0	0.09	
-9475	O1	SLES	1	-18.2503	-19.1131	-27.4712	OC30A	9472	9476	0	0	-0.34	
-9476	C2	SLES	1	-19.0313	-18.1739	-26.7028	CC32A	9475	9477	9478	9479	-0.01	
-9477	H2A	SLES	1	-19.5276	-17.5875	-27.5007	HCA2	9476	0	0	0	0.09	
-9478	H2B	SLES	1	-19.7875	-18.8313	-26.2176	HCA2	9476	0	0	0	0.09	
-9479	C1	SLES	1	-18.4253	-17.2009	-25.6429	CC32A	9476	9480	9481	9482	-0.01	
-9480	H1B	SLES	1	-18.1562	-16.2376	-26.1285	HCA2	9479	0	0	0	0.09	
-9481	H1A	SLES	1	-19.179	-17.0029	-24.8547	HCA2	9479	0	0	0	0.09	
-9482	O1	SLES	1	-17.1829	-17.4746	-24.9188	OC30A	9479	9483	0	0	-0.34	
-9483	C1	SLES	1	-17.107	-16.8895	-23.5675	CTL2	9482	9484	9485	9486	-0.18	
-9484	H11	SLES	1	-17.9598	-16.1943	-23.4651	HAL2	9483	0	0	0	0.09	
-9485	H12	SLES	1	-17.2965	-17.7807	-22.9342	HAL2	9483	0	0	0	0.09	
-9486	C2	SLES	1	-15.7792	-16.1725	-23.0995	CTL2	9483	9487	9488	9489	-0.18	
-9487	H21	SLES	1	-15.0461	-16.1803	-23.937	HAL2	9486	0	0	0	0.09	
-9488	H22	SLES	1	-15.3387	-16.7441	-22.2535	HAL2	9486	0	0	0	0.09	
-9489	C3	SLES	1	-16.0297	-14.6555	-22.6364	CTL2	9486	9490	9491	9492	-0.18	
-9490	H31	SLES	1	-15.6767	-13.9699	-23.4387	HAL2	9489	0	0	0	0.09	
-9491	H32	SLES	1	-17.118	-14.4929	-22.5049	HAL2	9489	0	0	0	0.09	
-9492	C4	SLES	1	-15.2878	-14.2897	-21.2844	CTL2	9489	9493	9494	9495	-0.18	
-9493	H41	SLES	1	-14.3757	-13.7034	-21.5219	HAL2	9492	0	0	0	0.09	
-9494	H42	SLES	1	-14.9704	-15.2263	-20.7773	HAL2	9492	0	0	0	0.09	
-9495	C5	SLES	1	-16.2058	-13.4469	-20.2885	CTL2	9492	9496	9497	9498	-0.18	
-9496	H51	SLES	1	-17.0533	-13.0077	-20.8597	HAL2	9495	0	0	0	0.09	
-9497	H52	SLES	1	-16.6302	-14.1318	-19.5192	HAL2	9495	0	0	0	0.09	
-9498	C6	SLES	1	-15.423	-12.2868	-19.5656	CTL2	9495	9499	9500	9501	-0.18	
-9499	H61	SLES	1	-15.2092	-11.4797	-20.3017	HAL2	9498	0	0	0	0.09	
-9500	H62	SLES	1	-16.0696	-11.858	-18.7646	HAL2	9498	0	0	0	0.09	
-9501	C7	SLES	1	-14.0793	-12.7667	-18.9313	CTL2	9498	9502	9503	9504	-0.18	
-9502	H71	SLES	1	-13.2996	-12.8111	-19.7237	HAL2	9501	0	0	0	0.09	
-9503	H72	SLES	1	-14.215	-13.7937	-18.5249	HAL2	9501	0	0	0	0.09	
-9504	C8	SLES	1	-13.5893	-11.8349	-17.795	CTL2	9501	9505	9506	9507	-0.18	
-9505	H81	SLES	1	-13.6692	-10.776	-18.1324	HAL2	9504	0	0	0	0.09	
-9506	H82	SLES	1	-14.2503	-11.9642	-16.9079	HAL2	9504	0	0	0	0.09	
-9507	C9	SLES	1	-12.1247	-12.1253	-17.3817	CTL2	9504	9508	9509	9510	-0.18	
-9508	H91	SLES	1	-11.4683	-12.0247	-18.2758	HAL2	9507	0	0	0	0.09	
-9509	H92	SLES	1	-12.0515	-13.1751	-17.0184	HAL2	9507	0	0	0	0.09	
-9510	C10	SLES	1	-11.6176	-11.1715	-16.2742	CTL2	9507	9511	9512	9513	-0.18	
-9511	H10	SLES	1	-11.6687	-10.1227	-16.646	HAL2	9510	0	0	0	0.09	
-9512	H10	SLES	1	-12.2865	-11.2552	-15.3879	HAL2	9510	0	0	0	0.09	
-9513	C11	SLES	1	-10.1608	-11.485	-15.8412	CTL2	9510	9514	9515	9516	-0.18	
-9514	H11	SLES	1	-9.49486	-11.3932	-16.7296	HAL2	9513	0	0	0	0.09	
-9515	H11	SLES	1	-10.111	-12.54	-15.4871	HAL2	9513	0	0	0	0.09	
-9516	C12	SLES	1	-9.62855	-10.5559	-14.7196	CTL3	9513	9517	9518	9519	-0.27	
-9517	H12	SLES	1	-8.72415	-10.0094	-15.0671	HAL3	9516	0	0	0	0.09	
-9518	H12	SLES	1	-9.35876	-11.1516	-13.8198	HAL3	9516	0	0	0	0.09	
-9519	H12	SLES	1	-10.4035	-9.81203	-14.4328	HAL3	9516	0	0	0	0.09	
-9520	NA	SLES	1	-27.9731	-13.4211	-31.4557	NA	0	0	0	0	1	
-9521	S	SLES	1	-27.9838	-9.80265	-30.9487	SL	9522	9523	9524	9525	1.33	
-9522	OS1	SLES	1	-27.0874	-10.8839	-30.0351	OSL	9521	9526	0	0	-0.28	
-9523	OS2	SLES	1	-27.5738	-9.99258	-32.3247	O2L	9521	0	0	0	-0.65	
-9524	OS3	SLES	1	-29.3692	-10.1926	-30.7896	O2L	9521	0	0	0	-0.65	
-9525	OS4	SLES	1	-27.8155	-8.40895	-30.5697	O2L	9521	0	0	0	-0.65	
-9526	C2	SLES	1	-26.1459	-10.1498	-29.1435	CC32A	9522	9527	9528	9529	-0.11	
-9527	H2A	SLES	1	-25.4914	-9.45641	-29.7419	HCA2	9526	0	0	0	0.09	
-9528	H2B	SLES	1	-26.7473	-9.54222	-28.4118	HCA2	9526	0	0	0	0.09	
-9529	C1	SLES	1	-25.2352	-11.2034	-28.3521	CC32A	9526	9530	9531	9532	-0.01	
-9530	H1B	SLES	1	-24.7056	-11.8653	-29.0755	HCA2	9529	0	0	0	0.09	
-9531	H1A	SLES	1	-25.8727	-11.8334	-27.689	HCA2	9529	0	0	0	0.09	
-9532	O1	SLES	1	-24.148	-10.7308	-27.4732	OC30A	9529	9533	0	0	-0.34	
-9533	C2	SLES	1	-24.2098	-9.35111	-27.0548	CC32A	9532	9534	9535	9536	-0.01	
-9534	H2A	SLES	1	-24.1612	-8.81894	-28.025	HCA2	9533	0	0	0	0.09	
-9535	H2B	SLES	1	-25.2444	-9.26894	-26.652	HCA2	9533	0	0	0	0.09	
-9536	C1	SLES	1	-23.2043	-8.70008	-26.0536	CC32A	9533	9537	9538	9539	-0.01	
-9537	H1B	SLES	1	-22.3505	-8.25914	-26.6129	HCA2	9536	0	0	0	0.09	
-9538	H1A	SLES	1	-23.7168	-7.89255	-25.4934	HCA2	9536	0	0	0	0.09	
-9539	O1	SLES	1	-22.475	-9.46163	-25.0383	OC30A	9536	9540	0	0	-0.34	
-9540	C1	SLES	1	-22.1448	-8.71046	-23.8132	CTL2	9539	9541	9542	9543	-0.18	
-9541	H11	SLES	1	-22.3677	-7.64672	-24.0131	HAL2	9540	0	0	0	0.09	
-9542	H12	SLES	1	-22.9025	-9.10578	-23.1054	HAL2	9540	0	0	0	0.09	
-9543	C2	SLES	1	-20.7026	-8.84024	-23.1814	CTL2	9540	9544	9545	9546	-0.18	
-9544	H21	SLES	1	-20.0817	-9.50433	-23.8235	HAL2	9543	0	0	0	0.09	
-9545	H22	SLES	1	-20.7883	-9.31521	-22.1795	HAL2	9543	0	0	0	0.09	
-9546	C3	SLES	1	-19.9673	-7.42077	-23.03	CTL2	9543	9547	9548	9549	-0.18	
-9547	H31	SLES	1	-19.2017	-7.32314	-23.8317	HAL2	9546	0	0	0	0.09	
-9548	H32	SLES	1	-20.7114	-6.61159	-23.1703	HAL2	9546	0	0	0	0.09	
-9549	C4	SLES	1	-19.2637	-7.23414	-21.622	CTL2	9546	9550	9551	9552	-0.18	
-9550	H41	SLES	1	-18.1724	-7.39866	-21.7407	HAL2	9549	0	0	0	0.09	
-9551	H42	SLES	1	-19.6507	-8.00043	-20.9163	HAL2	9549	0	0	0	0.09	
-9552	C5	SLES	1	-19.509	-5.78584	-20.9999	CTL2	9549	9553	9554	9555	-0.18	
-9553	H51	SLES	1	-19.8407	-5.09549	-21.8067	HAL2	9552	0	0	0	0.09	
-9554	H52	SLES	1	-20.3265	-5.84873	-20.2458	HAL2	9552	0	0	0	0.09	
-9555	C6	SLES	1	-18.2239	-5.18716	-20.3133	CTL2	9552	9556	9557	9558	-0.18	
-9556	H61	SLES	1	-17.4932	-4.89703	-21.1014	HAL2	9555	0	0	0	0.09	
-9557	H62	SLES	1	-18.5084	-4.26576	-19.7534	HAL2	9555	0	0	0	0.09	
-9558	C7	SLES	1	-17.5407	-6.18902	-19.3295	CTL2	9555	9559	9560	9561	-0.18	
-9559	H71	SLES	1	-16.9106	-6.89692	-19.9122	HAL2	9558	0	0	0	0.09	
-9560	H72	SLES	1	-18.3264	-6.77877	-18.8068	HAL2	9558	0	0	0	0.09	
-9561	C8	SLES	1	-16.6562	-5.47961	-18.2741	CTL2	9558	9562	9563	9564	-0.18	
-9562	H81	SLES	1	-16.0213	-4.71862	-18.7832	HAL2	9561	0	0	0	0.09	
-9563	H82	SLES	1	-17.3122	-4.94945	-17.5466	HAL2	9561	0	0	0	0.09	
-9564	C9	SLES	1	-15.7436	-6.46821	-17.5059	CTL2	9561	9565	9566	9567	-0.18	
-9565	H91	SLES	1	-15.1089	-7.01915	-18.2367	HAL2	9564	0	0	0	0.09	
-9566	H92	SLES	1	-16.3798	-7.21153	-16.9748	HAL2	9564	0	0	0	0.09	
-9567	C10	SLES	1	-14.8298	-5.75997	-16.4779	CTL2	9564	9568	9569	9570	-0.18	
-9568	H10	SLES	1	-14.1766	-5.03285	-17.0122	HAL2	9567	0	0	0	0.09	
-9569	H10	SLES	1	-15.4628	-5.19081	-15.76	HAL2	9567	0	0	0	0.09	
-9570	C11	SLES	1	-13.9393	-6.75617	-15.6889	CTL2	9567	9571	9572	9573	-0.18	
-9571	H11	SLES	1	-13.3032	-7.31802	-16.4106	HAL2	9570	0	0	0	0.09	
-9572	H11	SLES	1	-14.5962	-7.49189	-15.171	HAL2	9570	0	0	0	0.09	
-9573	C12	SLES	1	-13.0228	-6.07799	-14.6378	CTL3	9570	9574	9575	9576	-0.27	
-9574	H12	SLES	1	-11.9546	-6.29686	-14.8577	HAL3	9573	0	0	0	0.09	
-9575	H12	SLES	1	-13.2592	-6.4549	-13.6183	HAL3	9573	0	0	0	0.09	
-9576	H12	SLES	1	-13.1686	-4.97585	-14.6507	HAL3	9573	0	0	0	0.09	
-9577	NA	SLES	1	-31.2176	-1.12014	-31.2456	NA	0	0	0	0	1	
-9578	S	SLES	1	-28.9197	1.69999	-31.5876	SL	9579	9580	9581	9582	1.33	
-9579	OS1	SLES	1	-28.8785	0.592219	-30.3312	OSL	9578	9583	0	0	-0.28	
-9580	OS2	SLES	1	-28.7699	0.937246	-32.8096	O2L	9578	0	0	0	-0.65	
-9581	OS3	SLES	1	-30.2328	2.30865	-31.545	O2L	9578	0	0	0	-0.65	
-9582	OS4	SLES	1	-27.8949	2.72919	-31.5174	O2L	9578	0	0	0	-0.65	
-9583	C2	SLES	1	-27.6549	0.793994	-29.505	CC32A	9579	9584	9585	9586	-0.11	
-9584	H2A	SLES	1	-26.7305	0.742799	-30.1454	HCA2	9583	0	0	0	0.09	
-9585	H2B	SLES	1	-27.7107	1.81091	-29.0265	HCA2	9583	0	0	0	0.09	
-9586	C1	SLES	1	-27.5894	-0.334919	-28.3706	CC32A	9583	9587	9588	9589	-0.01	
-9587	H1B	SLES	1	-27.6232	-1.34548	-28.839	HCA2	9586	0	0	0	0.09	
-9588	H1A	SLES	1	-28.4584	-0.229842	-27.6799	HCA2	9586	0	0	0	0.09	
-9589	O1	SLES	1	-26.4189	-0.419926	-27.4757	OC30A	9586	9590	0	0	-0.34	
-9590	C2	SLES	1	-25.5797	0.751495	-27.3977	CC32A	9589	9591	9592	9593	-0.01	
-9591	H2A	SLES	1	-25.2389	0.854888	-28.4465	HCA2	9590	0	0	0	0.09	
-9592	H2B	SLES	1	-26.3144	1.55853	-27.1781	HCA2	9590	0	0	0	0.09	
-9593	C1	SLES	1	-24.3553	0.881705	-26.4379	CC32A	9590	9594	9595	9596	-0.01	
-9594	H1B	SLES	1	-23.4351	0.531297	-26.9541	HCA2	9593	0	0	0	0.09	
-9595	H1A	SLES	1	-24.2218	1.9457	-26.1574	HCA2	9593	0	0	0	0.09	
-9596	O1	SLES	1	-24.2377	0.140895	-25.1808	OC30A	9593	9597	0	0	-0.34	
-9597	C1	SLES	1	-23.465	0.821917	-24.1258	CTL2	9596	9598	9599	9600	-0.18	
-9598	H11	SLES	1	-22.9715	1.69285	-24.5939	HAL2	9597	0	0	0	0.09	
-9599	H12	SLES	1	-24.2769	1.18669	-23.4632	HAL2	9597	0	0	0	0.09	
-9600	C2	SLES	1	-22.4093	0.00589798	-23.2797	CTL2	9597	9601	9602	9603	-0.18	
-9601	H21	SLES	1	-22.371	-1.04079	-23.6563	HAL2	9600	0	0	0	0.09	
-9602	H22	SLES	1	-22.7415	-0.0237913	-22.2189	HAL2	9600	0	0	0	0.09	
-9603	C3	SLES	1	-20.9373	0.643318	-23.3529	CTL2	9600	9604	9605	9606	-0.18	
-9604	H31	SLES	1	-20.3108	0.028202	-24.0366	HAL2	9603	0	0	0	0.09	
-9605	H32	SLES	1	-21.0061	1.66341	-23.7806	HAL2	9603	0	0	0	0.09	
-9606	C4	SLES	1	-20.2264	0.725398	-21.9387	CTL2	9603	9607	9608	9609	-0.18	
-9607	H41	SLES	1	-19.4901	-0.101307	-21.8578	HAL2	9606	0	0	0	0.09	
-9608	H42	SLES	1	-20.9862	0.586495	-21.1397	HAL2	9606	0	0	0	0.09	
-9609	C5	SLES	1	-19.4786	2.11531	-21.7067	CTL2	9606	9610	9611	9612	-0.18	
-9610	H51	SLES	1	-19.3264	2.61417	-22.6892	HAL2	9609	0	0	0	0.09	
-9611	H52	SLES	1	-20.125	2.77542	-21.0843	HAL2	9609	0	0	0	0.09	
-9612	C6	SLES	1	-18.0819	1.94993	-20.9973	CTL2	9609	9613	9614	9615	-0.18	
-9613	H61	SLES	1	-17.3602	1.50244	-21.717	HAL2	9612	0	0	0	0.09	
-9614	H62	SLES	1	-17.7	2.95752	-20.7103	HAL2	9612	0	0	0	0.09	
-9615	C7	SLES	1	-18.1531	1.05132	-19.7223	CTL2	9612	9616	9617	9618	-0.18	
-9616	H71	SLES	1	-18.1333	-0.0175758	-20.0303	HAL2	9615	0	0	0	0.09	
-9617	H72	SLES	1	-19.1161	1.23984	-19.1975	HAL2	9615	0	0	0	0.09	
-9618	C8	SLES	1	-16.9836	1.31395	-18.741	CTL2	9615	9619	9620	9621	-0.18	
-9619	H81	SLES	1	-16.0285	1.34878	-19.3138	HAL2	9618	0	0	0	0.09	
-9620	H82	SLES	1	-17.1308	2.30611	-18.2567	HAL2	9618	0	0	0	0.09	
-9621	C9	SLES	1	-16.8763	0.225704	-17.6435	CTL2	9618	9622	9623	9624	-0.18	
-9622	H91	SLES	1	-16.7588	-0.769565	-18.1293	HAL2	9621	0	0	0	0.09	
-9623	H92	SLES	1	-17.8205	0.210704	-17.0539	HAL2	9621	0	0	0	0.09	
-9624	C10	SLES	1	-15.6858	0.462078	-16.6842	CTL2	9621	9625	9626	9627	-0.18	
-9625	H10	SLES	1	-14.7389	0.453842	-17.2707	HAL2	9624	0	0	0	0.09	
-9626	H10	SLES	1	-15.791	1.46638	-16.2148	HAL2	9624	0	0	0	0.09	
-9627	C11	SLES	1	-15.5997	-0.61252	-15.568	CTL2	9624	9628	9629	9630	-0.18	
-9628	H11	SLES	1	-15.4878	-1.61429	-16.0424	HAL2	9627	0	0	0	0.09	
-9629	H11	SLES	1	-16.5555	-0.612774	-14.9959	HAL2	9627	0	0	0	0.09	
-9630	C12	SLES	1	-14.4254	-0.393847	-14.5792	CTL3	9627	9631	9632	9633	-0.27	
-9631	H12	SLES	1	-13.7449	-1.2737	-14.5867	HAL3	9630	0	0	0	0.09	
-9632	H12	SLES	1	-14.8116	-0.253306	-13.5455	HAL3	9630	0	0	0	0.09	
-9633	H12	SLES	1	-13.8415	0.508123	-14.865	HAL3	9630	0	0	0	0.09	
-9634	NA	SLES	1	-28.9337	11.902	-31.1972	NA	0	0	0	0	1	
-9635	S	SLES	1	-25.4506	12.4196	-32.172	SL	9636	9637	9638	9639	1.33	
-9636	OS1	SLES	1	-25.9409	11.8727	-30.666	OSL	9635	9640	0	0	-0.28	
-9637	OS2	SLES	1	-25.9807	11.4815	-33.1396	O2L	9635	0	0	0	-0.65	
-9638	OS3	SLES	1	-26.0711	13.7155	-32.3516	O2L	9635	0	0	0	-0.65	
-9639	OS4	SLES	1	-24.0098	12.5346	-32.3316	O2L	9635	0	0	0	-0.65	
-9640	C2	SLES	1	-24.7625	11.4295	-29.869	CC32A	9636	9641	9642	9643	-0.11	
-9641	H2A	SLES	1	-24.1729	10.6522	-30.4305	HCA2	9640	0	0	0	0.09	
-9642	H2B	SLES	1	-24.1028	12.3215	-29.6806	HCA2	9640	0	0	0	0.09	
-9643	C1	SLES	1	-25.2641	10.8233	-28.4737	CC32A	9640	9644	9645	9646	-0.01	
-9644	H1B	SLES	1	-25.9872	9.99572	-28.658	HCA2	9643	0	0	0	0.09	
-9645	H1A	SLES	1	-25.7706	11.6163	-27.8755	HCA2	9643	0	0	0	0.09	
-9646	O1	SLES	1	-24.2967	10.2198	-27.5368	OC30A	9643	9647	0	0	-0.34	
-9647	C2	SLES	1	-22.9083	10.5596	-27.7349	CC32A	9646	9648	9649	9650	-0.01	
-9648	H2A	SLES	1	-22.7255	10.1742	-28.7571	HCA2	9647	0	0	0	0.09	
-9649	H2B	SLES	1	-22.9364	11.672	-27.7707	HCA2	9647	0	0	0	0.09	
-9650	C1	SLES	1	-21.7558	10.0945	-26.7901	CC32A	9647	9651	9652	9653	-0.01	
-9651	H1B	SLES	1	-21.3398	9.12936	-27.1528	HCA2	9650	0	0	0	0.09	
-9652	H1A	SLES	1	-20.9484	10.8539	-26.7964	HCA2	9650	0	0	0	0.09	
-9653	O1	SLES	1	-21.9575	9.76782	-25.3775	OC30A	9650	9654	0	0	-0.34	
-9654	C1	SLES	1	-20.7935	10.0173	-24.5075	CTL2	9653	9655	9656	9657	-0.18	
-9655	H11	SLES	1	-19.9333	10.2313	-25.1674	HAL2	9654	0	0	0	0.09	
-9656	H12	SLES	1	-21.0973	10.9576	-24.0027	HAL2	9654	0	0	0	0.09	
-9657	C2	SLES	1	-20.3788	8.94016	-23.4286	CTL2	9654	9658	9659	9660	-0.18	
-9658	H21	SLES	1	-21.0567	8.06129	-23.5116	HAL2	9657	0	0	0	0.09	
-9659	H22	SLES	1	-20.5072	9.3769	-22.414	HAL2	9657	0	0	0	0.09	
-9660	C3	SLES	1	-18.86	8.44877	-23.6022	CTL2	9657	9661	9662	9663	-0.18	
-9661	H31	SLES	1	-18.8581	7.43871	-24.0691	HAL2	9660	0	0	0	0.09	
-9662	H32	SLES	1	-18.3323	9.14122	-24.288	HAL2	9660	0	0	0	0.09	
-9663	C4	SLES	1	-18.0694	8.38213	-22.23	CTL2	9660	9664	9665	9666	-0.18	
-9664	H41	SLES	1	-18.0112	7.32405	-21.8995	HAL2	9663	0	0	0	0.09	
-9665	H42	SLES	1	-18.6301	8.95161	-21.4578	HAL2	9663	0	0	0	0.09	
-9666	C5	SLES	1	-16.5932	8.97626	-22.342	CTL2	9663	9667	9668	9669	-0.18	
-9667	H51	SLES	1	-16.2984	9.01665	-23.4138	HAL2	9666	0	0	0	0.09	
-9668	H52	SLES	1	-16.5905	10.0178	-21.9469	HAL2	9666	0	0	0	0.09	
-9669	C6	SLES	1	-15.5279	8.12613	-21.5521	CTL2	9666	9670	9671	9672	-0.18	
-9670	H61	SLES	1	-15.353	7.16966	-22.094	HAL2	9669	0	0	0	0.09	
-9671	H62	SLES	1	-14.5644	8.68684	-21.5261	HAL2	9669	0	0	0	0.09	
-9672	C7	SLES	1	-15.971	7.80877	-20.0888	CTL2	9669	9673	9674	9675	-0.18	
-9673	H71	SLES	1	-16.6675	6.94135	-20.1007	HAL2	9672	0	0	0	0.09	
-9674	H72	SLES	1	-16.52	8.6846	-19.6767	HAL2	9672	0	0	0	0.09	
-9675	C8	SLES	1	-14.7747	7.48072	-19.161	CTL2	9672	9676	9677	9678	-0.18	
-9676	H81	SLES	1	-14.0984	6.76253	-19.6789	HAL2	9675	0	0	0	0.09	
-9677	H82	SLES	1	-14.1998	8.4143	-18.9646	HAL2	9675	0	0	0	0.09	
-9678	C9	SLES	1	-15.2238	6.86901	-17.8103	CTL2	9675	9679	9680	9681	-0.18	
-9679	H91	SLES	1	-15.8237	5.95183	-18.0086	HAL2	9678	0	0	0	0.09	
-9680	H92	SLES	1	-15.8771	7.59871	-17.2808	HAL2	9678	0	0	0	0.09	
-9681	C10	SLES	1	-14.0309	6.50324	-16.8956	CTL2	9678	9682	9683	9684	-0.18	
-9682	H10	SLES	1	-13.3898	5.7555	-17.4157	HAL2	9681	0	0	0	0.09	
-9683	H10	SLES	1	-13.4182	7.41535	-16.7149	HAL2	9681	0	0	0	0.09	
-9684	C11	SLES	1	-14.4852	5.91943	-15.5315	CTL2	9681	9685	9686	9687	-0.18	
-9685	H11	SLES	1	-15.0918	5.00367	-15.7174	HAL2	9684	0	0	0	0.09	
-9686	H11	SLES	1	-15.1405	6.66329	-15.0234	HAL2	9684	0	0	0	0.09	
-9687	C12	SLES	1	-13.3118	5.55785	-14.5845	CTL3	9684	9688	9689	9690	-0.27	
-9688	H12	SLES	1	-13.3418	4.47599	-14.3276	HAL3	9687	0	0	0	0.09	
-9689	H12	SLES	1	-13.3786	6.14756	-13.6437	HAL3	9687	0	0	0	0.09	
-9690	H12	SLES	1	-12.3378	5.77914	-15.0729	HAL3	9687	0	0	0	0.09	
-9691	NA	SLES	1	-21.0299	22.9063	-31.3868	NA	0	0	0	0	1	
-9692	S	SLES	1	-18.3053	20.8401	-32.6744	SL	9693	9694	9695	9696	1.33	
-9693	OS1	SLES	1	-18.6882	20.9974	-31.0508	OSL	9692	9697	0	0	-0.28	
-9694	OS2	SLES	1	-19.499	20.3467	-33.3295	O2L	9692	0	0	0	-0.65	
-9695	OS3	SLES	1	-18	22.1741	-33.1474	O2L	9692	0	0	0	-0.65	
-9696	OS4	SLES	1	-17.1875	19.9508	-32.9465	O2L	9692	0	0	0	-0.65	
-9697	C2	SLES	1	-17.9085	20.0206	-30.2396	CC32A	9693	9698	9699	9700	-0.11	
-9698	H2A	SLES	1	-18.0737	18.972	-30.6141	HCA2	9697	0	0	0	0.09	
-9699	H2B	SLES	1	-16.8155	20.2722	-30.3311	HCA2	9697	0	0	0	0.09	
-9700	C1	SLES	1	-18.3609	20.1243	-28.7065	CC32A	9697	9701	9702	9703	-0.01	
-9701	H1B	SLES	1	-19.4604	19.9624	-28.6239	HCA2	9700	0	0	0	0.09	
-9702	H1A	SLES	1	-18.1156	21.1355	-28.3059	HCA2	9700	0	0	0	0.09	
-9703	O1	SLES	1	-17.8092	19.1905	-27.7058	OC30A	9700	9704	0	0	-0.34	
-9704	C2	SLES	1	-16.5985	18.495	-28.0704	CC32A	9703	9705	9706	9707	-0.01	
-9705	H2A	SLES	1	-16.9239	17.9302	-28.9659	HCA2	9704	0	0	0	0.09	
-9706	H2B	SLES	1	-15.9323	19.3265	-28.3932	HCA2	9704	0	0	0	0.09	
-9707	C1	SLES	1	-15.8198	17.5423	-27.1094	CC32A	9704	9708	9709	9710	-0.01	
-9708	H1B	SLES	1	-16.1895	16.501	-27.2327	HCA2	9707	0	0	0	0.09	
-9709	H1A	SLES	1	-14.7411	17.5685	-27.3631	HCA2	9707	0	0	0	0.09	
-9710	O1	SLES	1	-15.8689	17.6569	-25.6509	OC30A	9707	9711	0	0	-0.34	
-9711	C1	SLES	1	-14.6514	17.2108	-24.9492	CTL2	9710	9712	9713	9714	-0.18	
-9712	H11	SLES	1	-14.0155	16.6981	-25.6935	HAL2	9711	0	0	0	0.09	
-9713	H12	SLES	1	-14.1822	18.1822	-24.6894	HAL2	9711	0	0	0	0.09	
-9714	C2	SLES	1	-14.7794	16.3147	-23.6542	CTL2	9711	9715	9716	9717	-0.18	
-9715	H21	SLES	1	-15.8549	16.1013	-23.4635	HAL2	9714	0	0	0	0.09	
-9716	H22	SLES	1	-14.3827	16.8802	-22.7828	HAL2	9714	0	0	0	0.09	
-9717	C3	SLES	1	-13.9848	14.9256	-23.7864	CTL2	9714	9718	9719	9720	-0.18	
-9718	H31	SLES	1	-14.7159	14.1076	-23.973	HAL2	9717	0	0	0	0.09	
-9719	H32	SLES	1	-13.3051	14.9798	-24.6601	HAL2	9717	0	0	0	0.09	
-9720	C4	SLES	1	-13.136	14.5717	-22.4955	CTL2	9717	9721	9722	9723	-0.18	
-9721	H41	SLES	1	-13.6818	13.8067	-21.9047	HAL2	9720	0	0	0	0.09	
-9722	H42	SLES	1	-13.0332	15.4815	-21.8656	HAL2	9720	0	0	0	0.09	
-9723	C5	SLES	1	-11.6818	14.0192	-22.8488	CTL2	9720	9724	9725	9726	-0.18	
-9724	H51	SLES	1	-11.6679	13.6862	-23.9101	HAL2	9723	0	0	0	0.09	
-9725	H52	SLES	1	-10.9433	14.8461	-22.74	HAL2	9723	0	0	0	0.09	
-9726	C6	SLES	1	-11.2427	12.8162	-21.9315	CTL2	9723	9727	9728	9729	-0.18	
-9727	H61	SLES	1	-11.8266	11.9119	-22.2149	HAL2	9726	0	0	0	0.09	
-9728	H62	SLES	1	-10.1641	12.5985	-22.1117	HAL2	9726	0	0	0	0.09	
-9729	C7	SLES	1	-11.456	13.1046	-20.4117	CTL2	9726	9730	9731	9732	-0.18	
-9730	H71	SLES	1	-12.523	12.9231	-20.1543	HAL2	9729	0	0	0	0.09	
-9731	H72	SLES	1	-11.2312	14.1755	-20.2094	HAL2	9729	0	0	0	0.09	
-9732	C8	SLES	1	-10.5625	12.2213	-19.5056	CTL2	9729	9733	9734	9735	-0.18	
-9733	H81	SLES	1	-10.6163	11.166	-19.8587	HAL2	9732	0	0	0	0.09	
-9734	H82	SLES	1	-9.50543	12.5607	-19.5951	HAL2	9732	0	0	0	0.09	
-9735	C9	SLES	1	-10.9887	12.2794	-18.0172	CTL2	9732	9736	9737	9738	-0.18	
-9736	H91	SLES	1	-12.0547	11.9682	-17.9323	HAL2	9735	0	0	0	0.09	
-9737	H92	SLES	1	-10.9079	13.3298	-17.6573	HAL2	9735	0	0	0	0.09	
-9738	C10	SLES	1	-10.1242	11.3685	-17.1137	CTL2	9735	9739	9740	9741	-0.18	
-9739	H10	SLES	1	-10.2233	10.3142	-17.4591	HAL2	9738	0	0	0	0.09	
-9740	H10	SLES	1	-9.0555	11.6647	-17.215	HAL2	9738	0	0	0	0.09	
-9741	C11	SLES	1	-10.5339	11.4526	-15.6194	CTL2	9738	9742	9743	9744	-0.18	
-9742	H11	SLES	1	-11.6014	11.1489	-15.5224	HAL2	9741	0	0	0	0.09	
-9743	H11	SLES	1	-10.4504	12.5115	-15.2836	HAL2	9741	0	0	0	0.09	
-9744	C12	SLES	1	-9.67432	10.5627	-14.6846	CTL3	9741	9745	9746	9747	-0.27	
-9745	H12	SLES	1	-10.3171	9.82669	-14.1531	HAL3	9744	0	0	0	0.09	
-9746	H12	SLES	1	-9.15194	11.1886	-13.9279	HAL3	9744	0	0	0	0.09	
-9747	H12	SLES	1	-8.91148	10.0073	-15.2726	HAL3	9744	0	0	0	0.09	
-9748	NA	SLES	1	-8.96027	29.278	-31.8527	NA	0	0	0	0	1	
-9749	S	SLES	1	-8.62233	25.853	-33.08	SL	9750	9751	9752	9753	1.33	
-9750	OS1	SLES	1	-8.37845	26.3168	-31.4885	OSL	9749	9754	0	0	-0.28	
-9751	OS2	SLES	1	-9.97489	26.246	-33.4171	O2L	9749	0	0	0	-0.65	
-9752	OS3	SLES	1	-7.67725	26.6137	-33.8705	O2L	9749	0	0	0	-0.65	
-9753	OS4	SLES	1	-8.44328	24.4314	-33.3277	O2L	9749	0	0	0	-0.65	
-9754	C2	SLES	1	-8.2189	25.1166	-30.6199	CC32A	9750	9755	9756	9757	-0.11	
-9755	H2A	SLES	1	-9.10169	24.4268	-30.7295	HCA2	9754	0	0	0	0.09	
-9756	H2B	SLES	1	-7.28748	24.5692	-30.9346	HCA2	9754	0	0	0	0.09	
-9757	C1	SLES	1	-8.08319	25.5818	-29.0931	CC32A	9754	9758	9759	9760	-0.01	
-9758	H1B	SLES	1	-8.96476	26.1997	-28.8053	HCA2	9757	0	0	0	0.09	
-9759	H1A	SLES	1	-7.15901	26.1918	-28.9629	HCA2	9757	0	0	0	0.09	
-9760	O1	SLES	1	-8.01306	24.5764	-28.015	OC30A	9757	9761	0	0	-0.34	
-9761	C2	SLES	1	-7.66759	23.2315	-28.4082	CC32A	9760	9762	9763	9764	-0.01	
-9762	H2A	SLES	1	-8.49591	22.9787	-29.0987	HCA2	9761	0	0	0	0.09	
-9763	H2B	SLES	1	-6.73942	23.3866	-29.003	HCA2	9761	0	0	0	0.09	
-9764	C1	SLES	1	-7.45454	22.0585	-27.4002	CC32A	9761	9765	9766	9767	-0.01	
-9765	H1B	SLES	1	-8.41608	21.5248	-27.2371	HCA2	9764	0	0	0	0.09	
-9766	H1A	SLES	1	-6.71867	21.344	-27.8205	HCA2	9764	0	0	0	0.09	
-9767	O1	SLES	1	-7.03768	22.2585	-26.0113	OC30A	9764	9768	0	0	-0.34	
-9768	C1	SLES	1	-6.25138	21.1543	-25.4313	CTL2	9767	9769	9770	9771	-0.18	
-9769	H11	SLES	1	-6.30748	20.3074	-26.1389	HAL2	9768	0	0	0	0.09	
-9770	H12	SLES	1	-5.22615	21.5776	-25.4635	HAL2	9768	0	0	0	0.09	
-9771	C2	SLES	1	-6.57549	20.647	-23.9705	CTL2	9768	9772	9773	9774	-0.18	
-9772	H21	SLES	1	-7.4442	21.2168	-23.5711	HAL2	9771	0	0	0	0.09	
-9773	H22	SLES	1	-5.70112	20.8515	-23.3146	HAL2	9771	0	0	0	0.09	
-9774	C3	SLES	1	-6.91239	19.0777	-23.925	CTL2	9771	9775	9776	9777	-0.18	
-9775	H31	SLES	1	-8.0119	18.9472	-23.8138	HAL2	9774	0	0	0	0.09	
-9776	H32	SLES	1	-6.6107	18.6153	-24.8859	HAL2	9774	0	0	0	0.09	
-9777	C4	SLES	1	-6.18252	18.3212	-22.7387	CTL2	9774	9778	9779	9780	-0.18	
-9778	H41	SLES	1	-6.91111	18.1503	-21.9189	HAL2	9777	0	0	0	0.09	
-9779	H42	SLES	1	-5.36671	18.9639	-22.3432	HAL2	9777	0	0	0	0.09	
-9780	C5	SLES	1	-5.56625	16.9208	-23.19	CTL2	9777	9781	9782	9783	-0.18	
-9781	H51	SLES	1	-6.04373	16.6044	-24.1436	HAL2	9780	0	0	0	0.09	
-9782	H52	SLES	1	-4.4759	17.0484	-23.3792	HAL2	9780	0	0	0	0.09	
-9783	C6	SLES	1	-5.77045	15.7859	-22.1168	CTL2	9780	9784	9785	9786	-0.18	
-9784	H61	SLES	1	-6.84283	15.4877	-22.1036	HAL2	9783	0	0	0	0.09	
-9785	H62	SLES	1	-5.17017	14.8944	-22.4139	HAL2	9783	0	0	0	0.09	
-9786	C7	SLES	1	-5.34701	16.2279	-20.6803	CTL2	9783	9787	9788	9789	-0.18	
-9787	H71	SLES	1	-6.17188	16.8194	-20.2248	HAL2	9786	0	0	0	0.09	
-9788	H72	SLES	1	-4.45153	16.8848	-20.7508	HAL2	9786	0	0	0	0.09	
-9789	C8	SLES	1	-5.02062	15.0268	-19.7582	CTL2	9786	9790	9791	9792	-0.18	
-9790	H81	SLES	1	-5.821	14.2588	-19.8634	HAL2	9789	0	0	0	0.09	
-9791	H82	SLES	1	-4.05913	14.5686	-20.0841	HAL2	9789	0	0	0	0.09	
-9792	C9	SLES	1	-4.90639	15.438	-18.2688	CTL2	9789	9793	9794	9795	-0.18	
-9793	H91	SLES	1	-5.85766	15.9228	-17.952	HAL2	9792	0	0	0	0.09	
-9794	H92	SLES	1	-4.08769	16.1846	-18.1603	HAL2	9792	0	0	0	0.09	
-9795	C10	SLES	1	-4.61927	14.2355	-17.3388	CTL2	9792	9796	9797	9798	-0.18	
-9796	H10	SLES	1	-5.44999	13.499	-17.4297	HAL2	9795	0	0	0	0.09	
-9797	H10	SLES	1	-3.67983	13.7368	-17.6687	HAL2	9795	0	0	0	0.09	
-9798	C11	SLES	1	-4.47501	14.6554	-15.8519	CTL2	9795	9799	9800	9801	-0.18	
-9799	H11	SLES	1	-5.41949	15.1474	-15.5249	HAL2	9798	0	0	0	0.09	
-9800	H11	SLES	1	-3.65529	15.4051	-15.7689	HAL2	9798	0	0	0	0.09	
-9801	C12	SLES	1	-4.17006	13.4735	-14.8955	CTL3	9798	9802	9803	9804	-0.27	
-9802	H12	SLES	1	-4.96629	13.3855	-14.1237	HAL3	9801	0	0	0	0.09	
-9803	H12	SLES	1	-3.1957	13.6326	-14.383	HAL3	9801	0	0	0	0.09	
-9804	H12	SLES	1	-4.12002	12.519	-15.4633	HAL3	9801	0	0	0	0.09	
-9805	NA	SLES	1	4.52506	29.4899	-32.5876	NA	0	0	0	0	1	
-9806	S	SLES	1	2.2063	26.7823	-33.3894	SL	9807	9808	9809	9810	1.33	
-9807	OS1	SLES	1	3.09573	26.8786	-31.9727	OSL	9806	9811	0	0	-0.28	
-9808	OS2	SLES	1	1.41496	27.9934	-33.4578	O2L	9806	0	0	0	-0.65	
-9809	OS3	SLES	1	3.17028	26.7625	-34.4696	O2L	9806	0	0	0	-0.65	
-9810	OS4	SLES	1	1.33925	25.6184	-33.4787	O2L	9806	0	0	0	-0.65	
-9811	C2	SLES	1	2.64929	25.8318	-31.0108	CC32A	9807	9812	9813	9814	-0.11	
-9812	H2A	SLES	1	1.54239	25.9119	-30.8223	HCA2	9811	0	0	0	0.09	
-9813	H2B	SLES	1	2.87128	24.8216	-31.4539	HCA2	9811	0	0	0	0.09	
-9814	C1	SLES	1	3.44603	26.0047	-29.632	CC32A	9811	9815	9816	9817	-0.01	
-9815	H1B	SLES	1	3.29858	27.0357	-29.2357	HCA2	9814	0	0	0	0.09	
-9816	H1A	SLES	1	4.53545	25.8366	-29.7995	HCA2	9814	0	0	0	0.09	
-9817	O1	SLES	1	3.11779	25.151	-28.4738	OC30A	9814	9818	0	0	-0.34	
-9818	C2	SLES	1	2.38146	23.9414	-28.7517	CC32A	9817	9819	9820	9821	-0.01	
-9819	H2A	SLES	1	1.44848	24.3421	-29.1942	HCA2	9818	0	0	0	0.09	
-9820	H2B	SLES	1	2.98806	23.4714	-29.5582	HCA2	9818	0	0	0	0.09	
-9821	C1	SLES	1	2.0269	22.8716	-27.6713	CC32A	9818	9822	9823	9824	-0.01	
-9822	H1B	SLES	1	1.0369	23.1054	-27.2227	HCA2	9821	0	0	0	0.09	
-9823	H1A	SLES	1	1.97329	21.8729	-28.1491	HCA2	9821	0	0	0	0.09	
-9824	O1	SLES	1	2.81417	22.6675	-26.4542	OC30A	9821	9825	0	0	-0.34	
-9825	C1	SLES	1	2.80093	21.2907	-25.9268	CTL2	9824	9826	9827	9828	-0.18	
-9826	H11	SLES	1	2.02348	20.7361	-26.4828	HAL2	9825	0	0	0	0.09	
-9827	H12	SLES	1	3.79784	20.9252	-26.249	HAL2	9825	0	0	0	0.09	
-9828	C2	SLES	1	2.61768	21.0493	-24.3762	CTL2	9825	9829	9830	9831	-0.18	
-9829	H21	SLES	1	2.47682	22.0298	-23.8687	HAL2	9828	0	0	0	0.09	
-9830	H22	SLES	1	3.54281	20.5839	-23.971	HAL2	9828	0	0	0	0.09	
-9831	C3	SLES	1	1.36349	20.1029	-24.0449	CTL2	9828	9832	9833	9834	-0.18	
-9832	H31	SLES	1	0.525835	20.7315	-23.6689	HAL2	9831	0	0	0	0.09	
-9833	H32	SLES	1	1.0261	19.6102	-24.9786	HAL2	9831	0	0	0	0.09	
-9834	C4	SLES	1	1.69488	18.9895	-22.9666	CTL2	9831	9835	9836	9837	-0.18	
-9835	H41	SLES	1	1.2781	19.3026	-21.9866	HAL2	9834	0	0	0	0.09	
-9836	H42	SLES	1	2.79752	18.9034	-22.8579	HAL2	9834	0	0	0	0.09	
-9837	C5	SLES	1	1.09949	17.5614	-23.3551	CTL2	9834	9838	9839	9840	-0.18	
-9838	H51	SLES	1	0.305927	17.6956	-24.123	HAL2	9837	0	0	0	0.09	
-9839	H52	SLES	1	1.90859	16.9411	-23.8039	HAL2	9837	0	0	0	0.09	
-9840	C6	SLES	1	0.490388	16.7942	-22.1215	CTL2	9837	9841	9842	9843	-0.18	
-9841	H61	SLES	1	-0.463122	17.2852	-21.8236	HAL2	9840	0	0	0	0.09	
-9842	H62	SLES	1	0.256568	15.7472	-22.4258	HAL2	9840	0	0	0	0.09	
-9843	C7	SLES	1	1.45301	16.7633	-20.8924	CTL2	9840	9844	9845	9846	-0.18	
-9844	H71	SLES	1	1.37207	17.7278	-20.3438	HAL2	9843	0	0	0	0.09	
-9845	H72	SLES	1	2.50066	16.6601	-21.2531	HAL2	9843	0	0	0	0.09	
-9846	C8	SLES	1	1.13829	15.6018	-19.917	CTL2	9843	9847	9848	9849	-0.18	
-9847	H81	SLES	1	0.0399792	15.5685	-19.7325	HAL2	9846	0	0	0	0.09	
-9848	H82	SLES	1	1.43712	14.6385	-20.3897	HAL2	9846	0	0	0	0.09	
-9849	C9	SLES	1	1.87477	15.7508	-18.5621	CTL2	9846	9850	9851	9852	-0.18	
-9850	H91	SLES	1	1.59826	16.7276	-18.104	HAL2	9849	0	0	0	0.09	
-9851	H92	SLES	1	2.973	15.7558	-18.7447	HAL2	9849	0	0	0	0.09	
-9852	C10	SLES	1	1.53333	14.614	-17.5699	CTL2	9849	9853	9854	9855	-0.18	
-9853	H10	SLES	1	0.437752	14.6236	-17.3689	HAL2	9852	0	0	0	0.09	
-9854	H10	SLES	1	1.789	13.6355	-18.0359	HAL2	9852	0	0	0	0.09	
-9855	C11	SLES	1	2.29621	14.7497	-16.2254	CTL2	9852	9856	9857	9858	-0.18	
-9856	H11	SLES	1	2.03189	15.7267	-15.76	HAL2	9855	0	0	0	0.09	
-9857	H11	SLES	1	3.3906	14.7577	-16.4332	HAL2	9855	0	0	0	0.09	
-9858	C12	SLES	1	1.9878	13.615	-15.2145	CTL3	9855	9859	9860	9861	-0.27	
-9859	H12	SLES	1	1.56473	14.0374	-14.2765	HAL3	9858	0	0	0	0.09	
-9860	H12	SLES	1	2.91704	13.057	-14.9645	HAL3	9858	0	0	0	0.09	
-9861	H12	SLES	1	1.2516	12.902	-15.6456	HAL3	9858	0	0	0	0.09	
-9862	NA	SLES	1	16.2486	23.7347	-33.537	NA	0	0	0	0	1	
-9863	S	SLES	1	12.6108	23.4033	-33.6194	SL	9864	9865	9866	9867	1.33	
-9864	OS1	SLES	1	13.6032	22.6659	-32.4885	OSL	9863	9868	0	0	-0.28	
-9865	OS2	SLES	1	12.8607	24.8261	-33.516	O2L	9863	0	0	0	-0.65	
-9866	OS3	SLES	1	13.0458	22.9199	-34.9131	O2L	9863	0	0	0	-0.65	
-9867	OS4	SLES	1	11.1926	23.1354	-33.4424	O2L	9863	0	0	0	-0.65	
-9868	C2	SLES	1	12.7839	22.0426	-31.4113	CC32A	9864	9869	9870	9871	-0.11	
-9869	H2A	SLES	1	12.0995	22.8034	-30.9422	HCA2	9868	0	0	0	0.09	
-9870	H2B	SLES	1	12.1607	21.223	-31.8654	HCA2	9868	0	0	0	0.09	
-9871	C1	SLES	1	13.7549	21.4286	-30.2951	CC32A	9868	9872	9873	9874	-0.01	
-9872	H1B	SLES	1	14.4346	22.2215	-29.9062	HCA2	9871	0	0	0	0.09	
-9873	H1A	SLES	1	14.3717	20.6114	-30.7365	HCA2	9871	0	0	0	0.09	
-9874	O1	SLES	1	13.1915	20.8384	-29.0654	OC30A	9871	9875	0	0	-0.34	
-9875	C2	SLES	1	11.7941	20.4799	-29.1031	CC32A	9874	9876	9877	9878	-0.01	
-9876	H2A	SLES	1	11.3153	21.4595	-29.2983	HCA2	9875	0	0	0	0.09	
-9877	H2B	SLES	1	11.7306	19.8595	-30.0253	HCA2	9875	0	0	0	0.09	
-9878	C1	SLES	1	11.049	19.7606	-27.9349	CC32A	9875	9879	9880	9881	-0.01	
-9879	H1B	SLES	1	10.6065	20.5166	-27.2503	HCA2	9878	0	0	0	0.09	
-9880	H1A	SLES	1	10.2325	19.137	-28.3507	HCA2	9878	0	0	0	0.09	
-9881	O1	SLES	1	11.7234	18.9012	-26.9605	OC30A	9878	9882	0	0	-0.34	
-9882	C1	SLES	1	10.8927	17.8169	-26.4054	CTL2	9881	9883	9884	9885	-0.18	
-9883	H11	SLES	1	9.85138	18.0098	-26.721	HAL2	9882	0	0	0	0.09	
-9884	H12	SLES	1	11.2776	16.9399	-26.9658	HAL2	9882	0	0	0	0.09	
-9885	C2	SLES	1	10.9299	17.5194	-24.8541	CTL2	9882	9886	9887	9888	-0.18	
-9886	H21	SLES	1	11.6037	18.2536	-24.3583	HAL2	9885	0	0	0	0.09	
-9887	H22	SLES	1	11.3513	16.5034	-24.6909	HAL2	9885	0	0	0	0.09	
-9888	C3	SLES	1	9.47624	17.6016	-24.177	CTL2	9885	9889	9890	9891	-0.18	
-9889	H31	SLES	1	9.39322	18.5582	-23.6145	HAL2	9888	0	0	0	0.09	
-9890	H32	SLES	1	8.7062	17.608	-24.974	HAL2	9888	0	0	0	0.09	
-9891	C4	SLES	1	9.18377	16.3973	-23.1889	CTL2	9888	9892	9893	9894	-0.18	
-9892	H41	SLES	1	9.31135	16.7502	-22.1442	HAL2	9891	0	0	0	0.09	
-9893	H42	SLES	1	9.92426	15.5887	-23.3699	HAL2	9891	0	0	0	0.09	
-9894	C5	SLES	1	7.7139	15.8025	-23.3634	CTL2	9891	9895	9896	9897	-0.18	
-9895	H51	SLES	1	7.08323	16.5448	-23.9007	HAL2	9894	0	0	0	0.09	
-9896	H52	SLES	1	7.76698	14.8822	-23.9888	HAL2	9894	0	0	0	0.09	
-9897	C6	SLES	1	7.02754	15.4497	-21.9901	CTL2	9894	9898	9899	9900	-0.18	
-9898	H61	SLES	1	6.75309	16.394	-21.4685	HAL2	9897	0	0	0	0.09	
-9899	H62	SLES	1	6.08835	14.8827	-22.1899	HAL2	9897	0	0	0	0.09	
-9900	C7	SLES	1	7.94523	14.5997	-21.0554	CTL2	9897	9901	9902	9903	-0.18	
-9901	H71	SLES	1	8.65901	15.2761	-20.5351	HAL2	9900	0	0	0	0.09	
-9902	H72	SLES	1	8.53556	13.8878	-21.6744	HAL2	9900	0	0	0	0.09	
-9903	C8	SLES	1	7.14369	13.803	-19.996	CTL2	9900	9904	9905	9906	-0.18	
-9904	H81	SLES	1	6.38773	14.4756	-19.5296	HAL2	9903	0	0	0	0.09	
-9905	H82	SLES	1	6.60019	12.9718	-20.5003	HAL2	9903	0	0	0	0.09	
-9906	C9	SLES	1	8.05109	13.2151	-18.8864	CTL2	9903	9907	9908	9909	-0.18	
-9907	H91	SLES	1	8.61634	14.0437	-18.4026	HAL2	9906	0	0	0	0.09	
-9908	H92	SLES	1	8.78825	12.5215	-19.3501	HAL2	9906	0	0	0	0.09	
-9909	C10	SLES	1	7.25109	12.4515	-17.8045	CTL2	9906	9910	9911	9912	-0.18	
-9910	H10	SLES	1	6.52959	13.1512	-17.3242	HAL2	9909	0	0	0	0.09	
-9911	H10	SLES	1	6.6683	11.6366	-18.2906	HAL2	9909	0	0	0	0.09	
-9912	C11	SLES	1	8.16577	11.8379	-16.7115	CTL2	9909	9913	9914	9915	-0.18	
-9913	H11	SLES	1	8.74136	12.6576	-16.2237	HAL2	9912	0	0	0	0.09	
-9914	H11	SLES	1	8.89692	11.153	-17.1986	HAL2	9912	0	0	0	0.09	
-9915	C12	SLES	1	7.39437	11.0512	-15.6203	CTL3	9912	9916	9917	9918	-0.27	
-9916	H12	SLES	1	7.58273	11.495	-14.6179	HAL3	9915	0	0	0	0.09	
-9917	H12	SLES	1	7.72296	9.98859	-15.6049	HAL3	9915	0	0	0	0.09	
-9918	H12	SLES	1	6.30129	11.0812	-15.8214	HAL3	9915	0	0	0	0.09	
-9919	NA	SLES	1	23.7215	13.847	-34.6069	NA	0	0	0	0	1	
-9920	S	SLES	1	20.9112	16.0385	-33.8009	SL	9921	9922	9923	9924	1.33	
-9921	OS1	SLES	1	21.2429	14.5965	-33.0148	OSL	9920	9925	0	0	-0.28	
-9922	OS2	SLES	1	22.0917	16.8645	-33.6541	O2L	9920	0	0	0	-0.65	
-9923	OS3	SLES	1	20.7165	15.7015	-35.1956	O2L	9920	0	0	0	-0.65	
-9924	OS4	SLES	1	19.7457	16.7461	-33.2956	O2L	9920	0	0	0	-0.65	
-9925	C2	SLES	1	20.3677	14.4478	-31.818	CC32A	9921	9926	9927	9928	-0.11	
-9926	H2A	SLES	1	20.4742	15.3366	-31.1354	HCA2	9925	0	0	0	0.09	
-9927	H2B	SLES	1	19.2989	14.3796	-32.1633	HCA2	9925	0	0	0	0.09	
-9928	C1	SLES	1	20.7684	13.1113	-31.0313	CC32A	9925	9929	9930	9931	-0.01	
-9929	H1B	SLES	1	21.8502	13.1379	-30.7652	HCA2	9928	0	0	0	0.09	
-9930	H1A	SLES	1	20.5785	12.2207	-31.6747	HCA2	9928	0	0	0	0.09	
-9931	O1	SLES	1	20.1165	12.782	-29.7489	OC30A	9928	9932	0	0	-0.34	
-9932	C2	SLES	1	18.8752	13.4603	-29.463	CC32A	9931	9933	9934	9935	-0.01	
-9933	H2A	SLES	1	19.1943	14.5209	-29.456	HCA2	9932	0	0	0	0.09	
-9934	H2B	SLES	1	18.2806	13.2706	-30.3848	HCA2	9932	0	0	0	0.09	
-9935	C1	SLES	1	17.9973	13.1732	-28.2044	CC32A	9932	9936	9937	9938	-0.01	
-9936	H1B	SLES	1	18.2986	13.849	-27.3747	HCA2	9935	0	0	0	0.09	
-9937	H1A	SLES	1	16.9332	13.3641	-28.4492	HCA2	9935	0	0	0	0.09	
-9938	O1	SLES	1	17.9994	11.8904	-27.4991	OC30A	9935	9939	0	0	-0.34	
-9939	C1	SLES	1	16.7285	11.5399	-26.8388	CTL2	9938	9940	9941	9942	-0.18	
-9940	H11	SLES	1	16.0872	12.4394	-26.8678	HAL2	9939	0	0	0	0.09	
-9941	H12	SLES	1	16.3181	10.7875	-27.5436	HAL2	9939	0	0	0	0.09	
-9942	C2	SLES	1	16.7458	10.9482	-25.374	CTL2	9939	9943	9944	9945	-0.18	
-9943	H21	SLES	1	17.7962	10.9124	-25.0076	HAL2	9942	0	0	0	0.09	
-9944	H22	SLES	1	16.3567	9.90678	-25.4003	HAL2	9942	0	0	0	0.09	
-9945	C3	SLES	1	15.8629	11.8146	-24.3501	CTL2	9942	9946	9947	9948	-0.18	
-9946	H31	SLES	1	16.5423	12.4234	-23.7129	HAL2	9945	0	0	0	0.09	
-9947	H32	SLES	1	15.2218	12.5114	-24.9259	HAL2	9945	0	0	0	0.09	
-9948	C4	SLES	1	14.9439	10.9229	-23.416	CTL2	9945	9949	9950	9951	-0.18	
-9949	H41	SLES	1	15.4131	10.8512	-22.4126	HAL2	9948	0	0	0	0.09	
-9950	H42	SLES	1	14.8805	9.89695	-23.8384	HAL2	9948	0	0	0	0.09	
-9951	C5	SLES	1	13.4693	11.5118	-23.2621	CTL2	9948	9952	9953	9954	-0.18	
-9952	H51	SLES	1	13.4723	12.5821	-23.5655	HAL2	9951	0	0	0	0.09	
-9953	H52	SLES	1	12.786	10.9631	-23.9499	HAL2	9951	0	0	0	0.09	
-9954	C6	SLES	1	12.9142	11.4005	-21.7921	CTL2	9951	9955	9956	9957	-0.18	
-9955	H61	SLES	1	13.4446	12.1366	-21.1473	HAL2	9954	0	0	0	0.09	
-9956	H62	SLES	1	11.8306	11.6636	-21.7934	HAL2	9954	0	0	0	0.09	
-9957	C7	SLES	1	13.0897	9.97242	-21.1854	CTL2	9954	9958	9959	9960	-0.18	
-9958	H71	SLES	1	14.1313	9.8633	-20.8099	HAL2	9957	0	0	0	0.09	
-9959	H72	SLES	1	12.9318	9.21515	-21.9853	HAL2	9957	0	0	0	0.09	
-9960	C8	SLES	1	12.1041	9.69241	-20.0236	CTL2	9957	9961	9962	9963	-0.18	
-9961	H81	SLES	1	12.0982	10.5663	-19.3324	HAL2	9960	0	0	0	0.09	
-9962	H82	SLES	1	11.077	9.57461	-20.4381	HAL2	9960	0	0	0	0.09	
-9963	C9	SLES	1	12.4772	8.41812	-19.2252	CTL2	9960	9964	9965	9966	-0.18	
-9964	H91	SLES	1	13.5152	8.52437	-18.836	HAL2	9963	0	0	0	0.09	
-9965	H92	SLES	1	12.4555	7.54115	-19.9108	HAL2	9963	0	0	0	0.09	
-9966	C10	SLES	1	11.5186	8.15562	-18.0396	CTL2	9963	9967	9968	9969	-0.18	
-9967	H10	SLES	1	11.5577	9.02277	-17.3415	HAL2	9966	0	0	0	0.09	
-9968	H10	SLES	1	10.4775	8.0713	-18.4255	HAL2	9966	0	0	0	0.09	
-9969	C11	SLES	1	11.8768	6.862	-17.261	CTL2	9966	9970	9971	9972	-0.18	
-9970	H11	SLES	1	12.9164	6.95409	-16.8713	HAL2	9969	0	0	0	0.09	
-9971	H11	SLES	1	11.854	6.00055	-17.967	HAL2	9969	0	0	0	0.09	
-9972	C12	SLES	1	10.9235	6.56189	-16.0754	CTL3	9969	9973	9974	9975	-0.27	
-9973	H12	SLES	1	11.4936	6.52448	-15.121	HAL3	9972	0	0	0	0.09	
-9974	H12	SLES	1	10.4175	5.58257	-16.2247	HAL3	9972	0	0	0	0.09	
-9975	H12	SLES	1	10.1468	7.35314	-15.9934	HAL3	9972	0	0	0	0.09	
-9976	NA	SLES	1	25.939	2.50803	-35.6786	NA	0	0	0	0	1	
-9977	S	SLES	1	25.4988	5.7097	-33.9739	SL	9978	9979	9980	9981	1.33	
-9978	OS1	SLES	1	24.7351	4.28668	-33.5275	OSL	9977	9982	0	0	-0.28	
-9979	OS2	SLES	1	26.9214	5.4435	-33.9214	O2L	9977	0	0	0	-0.65	
-9980	OS3	SLES	1	25.0969	5.97103	-35.3402	O2L	9977	0	0	0	-0.65	
-9981	OS4	SLES	1	25.1778	6.85421	-33.1363	O2L	9977	0	0	0	-0.65	
-9982	C2	SLES	1	24.0314	4.46473	-32.2262	CC32A	9978	9983	9984	9985	-0.11	
-9983	H2A	SLES	1	24.7451	4.82853	-31.4354	HCA2	9982	0	0	0	0.09	
-9984	H2B	SLES	1	23.2174	5.22969	-32.3621	HCA2	9982	0	0	0	0.09	
-9985	C1	SLES	1	23.391	3.06768	-31.7746	CC32A	9982	9986	9987	9988	-0.01	
-9986	H1B	SLES	1	24.1835	2.28584	-31.7249	HCA2	9985	0	0	0	0.09	
-9987	H1A	SLES	1	22.6175	2.74883	-32.5116	HCA2	9985	0	0	0	0.09	
-9988	O1	SLES	1	22.7205	2.94805	-30.4654	OC30A	9985	9989	0	0	-0.34	
-9989	C2	SLES	1	22.3209	4.18054	-29.8298	CC32A	9988	9990	9991	9992	-0.01	
-9990	H2A	SLES	1	23.2938	4.69471	-29.7035	HCA2	9989	0	0	0	0.09	
-9991	H2B	SLES	1	21.7475	4.69102	-30.636	HCA2	9989	0	0	0	0.09	
-9992	C1	SLES	1	21.519	4.24896	-28.4921	CC32A	9989	9993	9994	9995	-0.01	
-9993	H1B	SLES	1	22.2242	4.29596	-27.634	HCA2	9992	0	0	0	0.09	
-9994	H1A	SLES	1	20.8925	5.16337	-28.4874	HCA2	9992	0	0	0	0.09	
-9995	O1	SLES	1	20.6317	3.17952	-28.0319	OC30A	9992	9996	0	0	-0.34	
-9996	C1	SLES	1	19.4946	3.62515	-27.2058	CTL2	9995	9997	9998	9999	-0.18	
-9997	H11	SLES	1	19.671	4.68654	-26.9538	HAL2	9996	0	0	0	0.09	
-9998	H12	SLES	1	18.6603	3.56656	-27.9351	HAL2	9996	0	0	0	0.09	
-9999	C2	SLES	1	19.1184	2.82486	-25.8965	CTL2	9996	10000	10001	10002	-0.18	
-10000	H21	SLES	1	19.8466	1.99514	-25.7546	HAL2	9999	0	0	0	0.09	
-10001	H22	SLES	1	18.109	2.37634	-26.0245	HAL2	9999	0	0	0	0.09	
-10002	C3	SLES	1	19.1199	3.75324	-24.5863	CTL2	9999	10003	10004	10005	-0.18	
-10003	H31	SLES	1	20.0429	3.54857	-23.9995	HAL2	10002	0	0	0	0.09	
-10004	H32	SLES	1	19.1435	4.81676	-24.8971	HAL2	10002	0	0	0	0.09	
-10005	C4	SLES	1	17.8574	3.51669	-23.6577	CTL2	10002	10006	10007	10008	-0.18	
-10006	H41	SLES	1	18.1594	2.8895	-22.793	HAL2	10005	0	0	0	0.09	
-10007	H42	SLES	1	17.0827	2.96152	-24.2293	HAL2	10005	0	0	0	0.09	
-10008	C5	SLES	1	17.2267	4.8795	-23.1193	CTL2	10005	10009	10010	10011	-0.18	
-10009	H51	SLES	1	17.9758	5.69453	-23.229	HAL2	10008	0	0	0	0.09	
-10010	H52	SLES	1	16.3422	5.1414	-23.7438	HAL2	10008	0	0	0	0.09	
-10011	C6	SLES	1	16.7818	4.79602	-21.6105	CTL2	10008	10012	10013	10014	-0.18	
-10012	H61	SLES	1	17.6887	4.77788	-20.9653	HAL2	10011	0	0	0	0.09	
-10013	H62	SLES	1	16.1969	5.71018	-21.3544	HAL2	10011	0	0	0	0.09	
-10014	C7	SLES	1	15.9136	3.53478	-21.3043	CTL2	10011	10015	10016	10017	-0.18	
-10015	H71	SLES	1	16.5841	2.65807	-21.1643	HAL2	10014	0	0	0	0.09	
-10016	H72	SLES	1	15.2536	3.3269	-22.1758	HAL2	10014	0	0	0	0.09	
-10017	C8	SLES	1	15.0384	3.70599	-20.0377	CTL2	10014	10018	10019	10020	-0.18	
-10018	H81	SLES	1	15.6619	4.13322	-19.2191	HAL2	10017	0	0	0	0.09	
-10019	H82	SLES	1	14.2178	4.42653	-20.2571	HAL2	10017	0	0	0	0.09	
-10020	C9	SLES	1	14.4223	2.36755	-19.5588	CTL2	10017	10021	10022	10023	-0.18	
-10021	H91	SLES	1	15.2421	1.6382	-19.368	HAL2	10020	0	0	0	0.09	
-10022	H92	SLES	1	13.7771	1.9553	-20.367	HAL2	10020	0	0	0	0.09	
-10023	C10	SLES	1	13.5791	2.52635	-18.2715	CTL2	10020	10024	10025	10026	-0.18	
-10024	H10	SLES	1	14.23	2.9168	-17.4562	HAL2	10023	0	0	0	0.09	
-10025	H10	SLES	1	12.7726	3.27206	-18.4547	HAL2	10023	0	0	0	0.09	
-10026	C11	SLES	1	12.9385	1.18973	-17.8121	CTL2	10023	10027	10028	10029	-0.18	
-10027	H11	SLES	1	13.7494	0.449449	-17.6235	HAL2	10026	0	0	0	0.09	
-10028	H11	SLES	1	12.303	0.794299	-18.6371	HAL2	10026	0	0	0	0.09	
-10029	C12	SLES	1	12.0725	1.31907	-16.5323	CTL3	10026	10030	10031	10032	-0.27	
-10030	H12	SLES	1	12.4694	0.660093	-15.7288	HAL3	10029	0	0	0	0.09	
-10031	H12	SLES	1	11.0213	1.02428	-16.7455	HAL3	10029	0	0	0	0.09	
-10032	H12	SLES	1	12.0786	2.36849	-16.1651	HAL3	10029	0	0	0	0.09	
-10033	NA	SLES	1	23.4278	-7.84268	-36.6294	NA	0	0	0	0	1	
-10034	S	SLES	1	25.2022	-5.79203	-34.1806	SL	10035	10036	10037	10038	1.33	
-10035	OS1	SLES	1	23.6229	-6.32312	-34.004	OSL	10034	10039	0	0	-0.28	
-10036	OS2	SLES	1	26.0162	-6.97869	-34.344	O2L	10034	0	0	0	-0.65	
-10037	OS3	SLES	1	25.2291	-5.00546	-35.396	O2L	10034	0	0	0	-0.65	
-10038	OS4	SLES	1	25.6996	-4.99965	-33.0674	O2L	10034	0	0	0	-0.65	
-10039	C2	SLES	1	23.1288	-6.02524	-32.6302	CC32A	10035	10040	10041	10042	-0.11	
-10040	H2A	SLES	1	23.8144	-6.47043	-31.8563	HCA2	10039	0	0	0	0.09	
-10041	H2B	SLES	1	23.1024	-4.9085	-32.4944	HCA2	10039	0	0	0	0.09	
-10042	C1	SLES	1	21.6543	-6.62634	-32.4555	CC32A	10039	10043	10044	10045	-0.01	
-10043	H1B	SLES	1	21.6616	-7.71859	-32.6762	HCA2	10042	0	0	0	0.09	
-10044	H1A	SLES	1	20.9529	-6.12206	-33.1603	HCA2	10042	0	0	0	0.09	
-10045	O1	SLES	1	20.9741	-6.55386	-31.1478	OC30A	10042	10046	0	0	-0.34	
-10046	C2	SLES	1	21.4965	-5.59854	-30.2006	CC32A	10045	10047	10048	10049	-0.01	
-10047	H2A	SLES	1	22.5329	-5.96347	-30.0607	HCA2	10046	0	0	0	0.09	
-10048	H2B	SLES	1	21.5244	-4.6595	-30.7979	HCA2	10046	0	0	0	0.09	
-10049	C1	SLES	1	20.8526	-5.3145	-28.8071	CC32A	10046	10050	10051	10052	-0.01	
-10050	H1B	SLES	1	21.3038	-5.98318	-28.042	HCA2	10049	0	0	0	0.09	
-10051	H1A	SLES	1	21.0505	-4.26231	-28.5201	HCA2	10049	0	0	0	0.09	
-10052	O1	SLES	1	19.4325	-5.52459	-28.5205	OC30A	10049	10053	0	0	-0.34	
-10053	C1	SLES	1	18.8641	-4.62889	-27.4965	CTL2	10052	10054	10055	10056	-0.18	
-10054	H11	SLES	1	19.7094	-4.09895	-27.0214	HAL2	10053	0	0	0	0.09	
-10055	H12	SLES	1	18.3015	-3.9089	-28.1261	HAL2	10053	0	0	0	0.09	
-10056	C2	SLES	1	17.9147	-5.22024	-26.3806	CTL2	10053	10057	10058	10059	-0.18	
-10057	H21	SLES	1	17.8343	-6.32198	-26.5167	HAL2	10056	0	0	0	0.09	
-10058	H22	SLES	1	16.8986	-4.78516	-26.5028	HAL2	10056	0	0	0	0.09	
-10059	C3	SLES	1	18.4442	-4.91279	-24.8962	CTL2	10056	10060	10061	10062	-0.18	
-10060	H31	SLES	1	18.8983	-5.83764	-24.4758	HAL2	10059	0	0	0	0.09	
-10061	H32	SLES	1	19.2356	-4.13877	-24.948	HAL2	10059	0	0	0	0.09	
-10062	C4	SLES	1	17.2991	-4.41314	-23.9207	CTL2	10059	10063	10064	10065	-0.18	
-10063	H41	SLES	1	16.992	-5.25498	-23.2657	HAL2	10062	0	0	0	0.09	
-10064	H42	SLES	1	16.4158	-4.107	-24.5215	HAL2	10062	0	0	0	0.09	
-10065	C5	SLES	1	17.7586	-3.18511	-23.0121	CTL2	10062	10066	10067	10068	-0.18	
-10066	H51	SLES	1	18.8699	-3.13414	-23.0055	HAL2	10065	0	0	0	0.09	
-10067	H52	SLES	1	17.3754	-2.23961	-23.4595	HAL2	10065	0	0	0	0.09	
-10068	C6	SLES	1	17.2446	-3.29425	-21.5271	CTL2	10065	10069	10070	10071	-0.18	
-10069	H61	SLES	1	17.8126	-4.09638	-21.0046	HAL2	10068	0	0	0	0.09	
-10070	H62	SLES	1	17.4482	-2.33191	-21.0018	HAL2	10068	0	0	0	0.09	
-10071	C7	SLES	1	15.718	-3.60957	-21.4366	CTL2	10068	10072	10073	10074	-0.18	
-10072	H71	SLES	1	15.5641	-4.70211	-21.5796	HAL2	10071	0	0	0	0.09	
-10073	H72	SLES	1	15.1872	-3.07756	-22.2572	HAL2	10071	0	0	0	0.09	
-10074	C8	SLES	1	15.101	-3.18792	-20.0797	CTL2	10071	10075	10076	10077	-0.18	
-10075	H81	SLES	1	15.7648	-3.53408	-19.2545	HAL2	10074	0	0	0	0.09	
-10076	H82	SLES	1	15.0467	-2.07634	-20.0344	HAL2	10074	0	0	0	0.09	
-10077	C9	SLES	1	13.6823	-3.77319	-19.8674	CTL2	10074	10078	10079	10080	-0.18	
-10078	H91	SLES	1	13.7325	-4.88324	-19.9423	HAL2	10077	0	0	0	0.09	
-10079	H92	SLES	1	13.0127	-3.4043	-20.6767	HAL2	10077	0	0	0	0.09	
-10080	C10	SLES	1	13.0773	-3.38727	-18.4968	CTL2	10077	10081	10082	10083	-0.18	
-10081	H10	SLES	1	13.7349	-3.77651	-17.6864	HAL2	10080	0	0	0	0.09	
-10082	H10	SLES	1	13.0472	-2.27733	-18.4121	HAL2	10080	0	0	0	0.09	
-10083	C11	SLES	1	11.6444	-3.94947	-18.3003	CTL2	10080	10084	10085	10086	-0.18	
-10084	H11	SLES	1	11.6808	-5.06014	-18.379	HAL2	10083	0	0	0	0.09	
-10085	H11	SLES	1	10.995	-3.57198	-19.1229	HAL2	10083	0	0	0	0.09	
-10086	C12	SLES	1	11.0033	-3.56565	-16.9415	CTL3	10083	10087	10088	10089	-0.27	
-10087	H12	SLES	1	10.7467	-4.48048	-16.3631	HAL3	10086	0	0	0	0.09	
-10088	H12	SLES	1	10.0735	-2.97741	-17.1052	HAL3	10086	0	0	0	0.09	
-10089	H12	SLES	1	11.7092	-2.95249	-16.3399	HAL3	10086	0	0	0	0.09	
-10090	NA	SLES	1	17.562	-15.7547	-37.3557	NA	0	0	0	0	1	
-10091	S	SLES	1	19.76	-16.1006	-34.4575	SL	10092	10093	10094	10095	1.33	
-10092	OS1	SLES	1	18.2658	-15.3431	-34.4274	OSL	10091	10096	0	0	-0.28	
-10093	OS2	SLES	1	19.523	-17.453	-34.9185	O2L	10091	0	0	0	-0.65	
-10094	OS3	SLES	1	20.5566	-15.3817	-35.4298	O2L	10091	0	0	0	-0.65	
-10095	OS4	SLES	1	20.4481	-16.1273	-33.1768	O2L	10091	0	0	0	-0.65	
-10096	C2	SLES	1	17.8751	-15.028	-33.0244	CC32A	10092	10097	10098	10099	-0.11	
-10097	H2A	SLES	1	17.8918	-15.9572	-32.3893	HCA2	10096	0	0	0	0.09	
-10098	H2B	SLES	1	18.612	-14.2875	-32.6061	HCA2	10096	0	0	0	0.09	
-10099	C1	SLES	1	16.4047	-14.3927	-33.0138	CC32A	10096	10100	10101	10102	-0.01	
-10100	H1B	SLES	1	15.6877	-15.0881	-33.5079	HCA2	10099	0	0	0	0.09	
-10101	H1A	SLES	1	16.4054	-13.4247	-33.5671	HCA2	10099	0	0	0	0.09	
-10102	O1	SLES	1	15.7405	-14.0818	-31.7331	OC30A	10099	10103	0	0	-0.34	
-10103	C2	SLES	1	16.5909	-13.9887	-30.5709	CC32A	10102	10104	10105	10106	-0.01	
-10104	H2A	SLES	1	17.0247	-15.0069	-30.5269	HCA2	10103	0	0	0	0.09	
-10105	H2B	SLES	1	17.3787	-13.2773	-30.9067	HCA2	10103	0	0	0	0.09	
-10106	C1	SLES	1	16.0834	-13.5779	-29.1528	CC32A	10103	10107	10108	10109	-0.01	
-10107	H1B	SLES	1	15.7838	-14.4851	-28.5842	HCA2	10106	0	0	0	0.09	
-10108	H1A	SLES	1	16.9016	-13.0694	-28.6045	HCA2	10106	0	0	0	0.09	
-10109	O1	SLES	1	14.9028	-12.7407	-28.9334	OC30A	10106	10110	0	0	-0.34	
-10110	C1	SLES	1	14.9444	-11.9114	-27.715	CTL2	10109	10111	10112	10113	-0.18	
-10111	H11	SLES	1	15.8089	-12.253	-27.1175	HAL2	10110	0	0	0	0.09	
-10112	H12	SLES	1	15.1776	-10.9132	-28.1397	HAL2	10110	0	0	0	0.09	
-10113	C2	SLES	1	13.6664	-11.815	-26.791	CTL2	10110	10114	10115	10116	-0.18	
-10114	H21	SLES	1	12.8664	-12.4682	-27.206	HAL2	10113	0	0	0	0.09	
-10115	H22	SLES	1	13.2923	-10.7678	-26.7998	HAL2	10113	0	0	0	0.09	
-10116	C3	SLES	1	13.968	-12.2538	-25.2761	CTL2	10113	10117	10118	10119	-0.18	
-10117	H31	SLES	1	13.556	-13.2735	-25.1065	HAL2	10116	0	0	0	0.09	
-10118	H32	SLES	1	15.0649	-12.301	-25.1252	HAL2	10116	0	0	0	0.09	
-10119	C4	SLES	1	13.3439	-11.263	-24.2079	CTL2	10116	10120	10121	10122	-0.18	
-10120	H41	SLES	1	12.4206	-11.7176	-23.792	HAL2	10119	0	0	0	0.09	
-10121	H42	SLES	1	13.0611	-10.3138	-24.712	HAL2	10119	0	0	0	0.09	
-10122	C5	SLES	1	14.3488	-10.9357	-23.0129	CTL2	10119	10123	10124	10125	-0.18	
-10123	H51	SLES	1	15.15	-11.707	-22.9906	HAL2	10122	0	0	0	0.09	
-10124	H52	SLES	1	14.8292	-9.94876	-23.2031	HAL2	10122	0	0	0	0.09	
-10125	C6	SLES	1	13.639	-10.8974	-21.6072	CTL2	10122	10126	10127	10128	-0.18	
-10126	H61	SLES	1	13.3722	-11.9355	-21.307	HAL2	10125	0	0	0	0.09	
-10127	H62	SLES	1	14.3535	-10.4947	-20.8517	HAL2	10125	0	0	0	0.09	
-10128	C7	SLES	1	12.3481	-10.0188	-21.6046	CTL2	10125	10129	10130	10131	-0.18	
-10129	H71	SLES	1	11.5051	-10.6114	-22.024	HAL2	10128	0	0	0	0.09	
-10130	H72	SLES	1	12.5077	-9.13542	-22.2622	HAL2	10128	0	0	0	0.09	
-10131	C8	SLES	1	11.9623	-9.52922	-20.1865	CTL2	10128	10132	10133	10134	-0.18	
-10132	H81	SLES	1	12.0235	-10.3856	-19.4764	HAL2	10131	0	0	0	0.09	
-10133	H82	SLES	1	12.6933	-8.7561	-19.857	HAL2	10131	0	0	0	0.09	
-10134	C9	SLES	1	10.5344	-8.93034	-20.1353	CTL2	10131	10135	10136	10137	-0.18	
-10135	H91	SLES	1	9.80718	-9.69429	-20.493	HAL2	10134	0	0	0	0.09	
-10136	H92	SLES	1	10.4821	-8.05739	-20.8243	HAL2	10134	0	0	0	0.09	
-10137	C10	SLES	1	10.1293	-8.47569	-18.7131	CTL2	10134	10138	10139	10140	-0.18	
-10138	H10	SLES	1	10.1589	-9.35378	-18.0284	HAL2	10137	0	0	0	0.09	
-10139	H10	SLES	1	10.8685	-7.72811	-18.346	HAL2	10137	0	0	0	0.09	
-10140	C11	SLES	1	8.71063	-7.84834	-18.6713	CTL2	10137	10141	10142	10143	-0.18	
-10141	H11	SLES	1	7.97427	-8.6021	-19.0329	HAL2	10140	0	0	0	0.09	
-10142	H11	SLES	1	8.68082	-6.98194	-19.3709	HAL2	10140	0	0	0	0.09	
-10143	C12	SLES	1	8.28143	-7.36694	-17.2611	CTL3	10140	10144	10145	10146	-0.27	
-10144	H12	SLES	1	7.35632	-7.89334	-16.938	HAL3	10143	0	0	0	0.09	
-10145	H12	SLES	1	8.08171	-6.2727	-17.2705	HAL3	10143	0	0	0	0.09	
-10146	H12	SLES	1	9.08416	-7.57429	-16.5204	HAL3	10143	0	0	0	0.09	
-10147	NA	SLES	1	9.6589	-20.7456	-37.7943	NA	0	0	0	0	1	
-10148	S	SLES	1	10.1665	-22.8179	-34.8281	SL	10149	10150	10151	10152	1.33	
-10149	OS1	SLES	1	9.70193	-21.2086	-34.7903	OSL	10148	10153	0	0	-0.28	
-10150	OS2	SLES	1	9.16625	-23.5134	-35.6111	O2L	10148	0	0	0	-0.65	
-10151	OS3	SLES	1	11.441	-22.8532	-35.5144	O2L	10148	0	0	0	-0.65	
-10152	OS4	SLES	1	10.2918	-23.4399	-33.5197	O2L	10148	0	0	0	-0.65	
-10153	C2	SLES	1	9.32232	-20.8133	-33.4047	CC32A	10149	10154	10155	10156	-0.11	
-10154	H2A	SLES	1	8.52172	-21.4948	-33.0026	HCA2	10153	0	0	0	0.09	
-10155	H2B	SLES	1	10.2327	-20.8937	-32.7482	HCA2	10153	0	0	0	0.09	
-10156	C1	SLES	1	8.79191	-19.3018	-33.4113	CC32A	10153	10157	10158	10159	-0.01	
-10157	H1B	SLES	1	7.94506	-19.2004	-34.1285	HCA2	10156	0	0	0	0.09	
-10158	H1A	SLES	1	9.61147	-18.6133	-33.7235	HCA2	10156	0	0	0	0.09	
-10159	O1	SLES	1	8.25757	-18.6981	-32.1752	OC30A	10156	10160	0	0	-0.34	
-10160	C2	SLES	1	8.60426	-19.351	-30.9358	CC32A	10159	10161	10162	10163	-0.01	
-10161	H2A	SLES	1	8.16229	-20.3564	-31.0794	HCA2	10160	0	0	0	0.09	
-10162	H2B	SLES	1	9.71211	-19.4323	-31.0095	HCA2	10160	0	0	0	0.09	
-10163	C1	SLES	1	8.21101	-18.8065	-29.5265	CC32A	10160	10164	10165	10166	-0.01	
-10164	H1B	SLES	1	7.23216	-19.2345	-29.2188	HCA2	10163	0	0	0	0.09	
-10165	H1A	SLES	1	8.97979	-19.1119	-28.7887	HCA2	10163	0	0	0	0.09	
-10166	O1	SLES	1	7.96475	-17.3898	-29.2527	OC30A	10163	10167	0	0	-0.34	
-10167	C1	SLES	1	8.28061	-16.9562	-27.8793	CTL2	10166	10168	10169	10170	-0.18	
-10168	H11	SLES	1	8.46755	-17.8685	-27.2843	HAL2	10167	0	0	0	0.09	
-10169	H12	SLES	1	9.24454	-16.4289	-28.0344	HAL2	10167	0	0	0	0.09	
-10170	C2	SLES	1	7.27422	-16.0156	-27.1055	CTL2	10167	10171	10172	10173	-0.18	
-10171	H21	SLES	1	6.38277	-15.8305	-27.7456	HAL2	10170	0	0	0	0.09	
-10172	H22	SLES	1	7.76772	-15.0376	-26.9145	HAL2	10170	0	0	0	0.09	
-10173	C3	SLES	1	6.79446	-16.6451	-25.7083	CTL2	10170	10174	10175	10176	-0.18	
-10174	H31	SLES	1	5.75895	-17.0356	-25.8246	HAL2	10173	0	0	0	0.09	
-10175	H32	SLES	1	7.45283	-17.4989	-25.4516	HAL2	10173	0	0	0	0.09	
-10176	C4	SLES	1	6.81902	-15.6002	-24.5168	CTL2	10173	10177	10178	10179	-0.18	
-10177	H41	SLES	1	5.78298	-15.2528	-24.3217	HAL2	10176	0	0	0	0.09	
-10178	H42	SLES	1	7.42491	-14.7184	-24.8171	HAL2	10176	0	0	0	0.09	
-10179	C5	SLES	1	7.42584	-16.213	-23.1747	CTL2	10176	10180	10181	10182	-0.18	
-10180	H51	SLES	1	7.40755	-17.3232	-23.2418	HAL2	10179	0	0	0	0.09	
-10181	H52	SLES	1	8.48865	-15.8935	-23.0783	HAL2	10179	0	0	0	0.09	
-10182	C6	SLES	1	6.63806	-15.7673	-21.8855	CTL2	10179	10183	10184	10185	-0.18	
-10183	H61	SLES	1	5.65405	-16.2872	-21.8637	HAL2	10182	0	0	0	0.09	
-10184	H62	SLES	1	7.21254	-16.0823	-20.9831	HAL2	10182	0	0	0	0.09	
-10185	C7	SLES	1	6.40072	-14.2252	-21.824	CTL2	10182	10186	10187	10188	-0.18	
-10186	H71	SLES	1	5.52459	-13.9673	-22.4593	HAL2	10185	0	0	0	0.09	
-10187	H72	SLES	1	7.29151	-13.703	-22.2389	HAL2	10185	0	0	0	0.09	
-10188	C8	SLES	1	6.14395	-13.7179	-20.383	CTL2	10185	10189	10190	10191	-0.18	
-10189	H81	SLES	1	5.40609	-14.3892	-19.8867	HAL2	10188	0	0	0	0.09	
-10190	H82	SLES	1	7.09524	-13.7654	-19.8056	HAL2	10188	0	0	0	0.09	
-10191	C9	SLES	1	5.60613	-12.2652	-20.3541	CTL2	10188	10192	10193	10194	-0.18	
-10192	H91	SLES	1	4.67077	-12.2123	-20.9563	HAL2	10191	0	0	0	0.09	
-10193	H92	SLES	1	6.35649	-11.5911	-20.8252	HAL2	10191	0	0	0	0.09	
-10194	C10	SLES	1	5.3109	-11.7674	-18.9194	CTL2	10191	10195	10196	10197	-0.18	
-10195	H10	SLES	1	4.54292	-12.428	-18.4561	HAL2	10194	0	0	0	0.09	
-10196	H10	SLES	1	6.24035	-11.8409	-18.3105	HAL2	10194	0	0	0	0.09	
-10197	C11	SLES	1	4.80164	-10.3019	-18.8919	CTL2	10194	10198	10199	10200	-0.18	
-10198	H11	SLES	1	3.86832	-10.235	-19.4966	HAL2	10197	0	0	0	0.09	
-10199	H11	SLES	1	5.56485	-9.64788	-19.3723	HAL2	10197	0	0	0	0.09	
-10200	C12	SLES	1	4.5122	-9.76739	-17.4654	CTL3	10197	10201	10202	10203	-0.27	
-10201	H12	SLES	1	3.4469	-9.45983	-17.3766	HAL3	10200	0	0	0	0.09	
-10202	H12	SLES	1	5.15492	-8.88671	-17.2448	HAL3	10200	0	0	0	0.09	
-10203	H12	SLES	1	4.71793	-10.5548	-16.7078	HAL3	10200	0	0	0	0.09	
-10204	NA	SLES	1	0.54374	-22.6387	-37.9378	NA	0	0	0	0	1	
-10205	S	SLES	1	-1.37979	-24.2744	-35.2967	SL	10206	10207	10208	10209	1.33	
-10206	OS1	SLES	1	-0.516324	-22.8525	-35.0969	OSL	10205	10210	0	0	-0.28	
-10207	OS2	SLES	1	-2.32934	-24.0292	-36.3624	O2L	10205	0	0	0	-0.65	
-10208	OS3	SLES	1	-0.418839	-25.274	-35.714	O2L	10205	0	0	0	-0.65	
-10209	OS4	SLES	1	-2.07894	-24.7275	-34.105	O2L	10205	0	0	0	-0.65	
-10210	C2	SLES	1	-0.81814	-22.2476	-33.769	CC32A	10206	10211	10212	10213	-0.11	
-10211	H2A	SLES	1	-1.92614	-22.0911	-33.6465	HCA2	10210	0	0	0	0.09	
-10212	H2B	SLES	1	-0.458486	-22.9498	-32.9666	HCA2	10210	0	0	0	0.09	
-10213	C1	SLES	1	-0.0568644	-20.8441	-33.6407	CC32A	10210	10214	10215	10216	-0.01	
-10214	H1B	SLES	1	-0.345383	-20.1777	-34.4859	HCA2	10213	0	0	0	0.09	
-10215	H1A	SLES	1	1.04583	-21.0063	-33.6712	HCA2	10213	0	0	0	0.09	
-10216	O1	SLES	1	-0.26866	-19.9914	-32.455	OC30A	10213	10217	0	0	-0.34	
-10217	C2	SLES	1	-0.831479	-20.6325	-31.291	CC32A	10216	10218	10219	10220	-0.01	
-10218	H2A	SLES	1	-1.80918	-20.982	-31.6768	HCA2	10217	0	0	0	0.09	
-10219	H2B	SLES	1	-0.16373	-21.513	-31.1559	HCA2	10217	0	0	0	0.09	
-10220	C1	SLES	1	-1.03951	-19.9168	-29.9192	CC32A	10217	10221	10222	10223	-0.01	
-10221	H1B	SLES	1	-2.05358	-19.4625	-29.8831	HCA2	10220	0	0	0	0.09	
-10222	H1A	SLES	1	-0.954319	-20.6606	-29.1018	HCA2	10220	0	0	0	0.09	
-10223	O1	SLES	1	-0.235466	-18.7758	-29.4784	OC30A	10220	10224	0	0	-0.34	
-10224	C1	SLES	1	-0.0616197	-18.6625	-28.0186	CTL2	10223	10225	10226	10227	-0.18	
-10225	H11	SLES	1	-0.754047	-19.3856	-27.5508	HAL2	10224	0	0	0	0.09	
-10226	H12	SLES	1	0.976949	-19.0329	-27.8943	HAL2	10224	0	0	0	0.09	
-10227	C2	SLES	1	-0.214881	-17.2537	-27.3201	CTL2	10224	10228	10229	10230	-0.18	
-10228	H21	SLES	1	-0.490303	-16.4949	-28.0864	HAL2	10227	0	0	0	0.09	
-10229	H22	SLES	1	0.764016	-16.9588	-26.8826	HAL2	10227	0	0	0	0.09	
-10230	C3	SLES	1	-1.32862	-17.2585	-26.1634	CTL2	10227	10231	10232	10233	-0.18	
-10231	H31	SLES	1	-2.24566	-16.7551	-26.5427	HAL2	10230	0	0	0	0.09	
-10232	H32	SLES	1	-1.59245	-18.3071	-25.9202	HAL2	10230	0	0	0	0.09	
-10233	C4	SLES	1	-0.851185	-16.5281	-24.8402	CTL2	10230	10234	10235	10236	-0.18	
-10234	H41	SLES	1	-1.30996	-15.5181	-24.8014	HAL2	10233	0	0	0	0.09	
-10235	H42	SLES	1	0.252504	-16.4018	-24.871	HAL2	10233	0	0	0	0.09	
-10236	C5	SLES	1	-1.24414	-17.3314	-23.5191	CTL2	10233	10237	10238	10239	-0.18	
-10237	H51	SLES	1	-2.04622	-18.0623	-23.7637	HAL2	10236	0	0	0	0.09	
-10238	H52	SLES	1	-0.356302	-17.9034	-23.1649	HAL2	10236	0	0	0	0.09	
-10239	C6	SLES	1	-1.74622	-16.3937	-22.3572	CTL2	10236	10240	10241	10242	-0.18	
-10240	H61	SLES	1	-2.75893	-16.0091	-22.6133	HAL2	10239	0	0	0	0.09	
-10241	H62	SLES	1	-1.83347	-16.9926	-21.4207	HAL2	10239	0	0	0	0.09	
-10242	C7	SLES	1	-0.792247	-15.1845	-22.1001	CTL2	10239	10243	10244	10245	-0.18	
-10243	H71	SLES	1	-1.00624	-14.3883	-22.8471	HAL2	10242	0	0	0	0.09	
-10244	H72	SLES	1	0.26077	-15.515	-22.2424	HAL2	10242	0	0	0	0.09	
-10245	C8	SLES	1	-0.94792	-14.5937	-20.6766	CTL2	10242	10246	10247	10248	-0.18	
-10246	H81	SLES	1	-2.03189	-14.4729	-20.4489	HAL2	10245	0	0	0	0.09	
-10247	H82	SLES	1	-0.518495	-15.3077	-19.9374	HAL2	10245	0	0	0	0.09	
-10248	C9	SLES	1	-0.242998	-13.2225	-20.5247	CTL2	10245	10249	10250	10251	-0.18	
-10249	H91	SLES	1	-0.652111	-12.5178	-21.2839	HAL2	10248	0	0	0	0.09	
-10250	H92	SLES	1	0.844764	-13.3495	-20.725	HAL2	10248	0	0	0	0.09	
-10251	C10	SLES	1	-0.428568	-12.6097	-19.1163	CTL2	10248	10252	10253	10254	-0.18	
-10252	H10	SLES	1	-1.51575	-12.4608	-18.9249	HAL2	10251	0	0	0	0.09	
-10253	H10	SLES	1	-0.0398303	-13.3234	-18.3551	HAL2	10251	0	0	0	0.09	
-10254	C11	SLES	1	0.304368	-11.2511	-18.9581	CTL2	10251	10255	10256	10257	-0.18	
-10255	H11	SLES	1	-0.0927362	-10.5387	-19.7171	HAL2	10254	0	0	0	0.09	
-10256	H11	SLES	1	1.38798	-11.4015	-19.168	HAL2	10254	0	0	0	0.09	
-10257	C12	SLES	1	0.151174	-10.6185	-17.5507	CTL3	10254	10258	10259	10260	-0.27	
-10258	H12	SLES	1	-0.328678	-9.61783	-17.6268	HAL3	10257	0	0	0	0.09	
-10259	H12	SLES	1	1.14731	-10.4982	-17.0705	HAL3	10257	0	0	0	0.09	
-10260	H12	SLES	1	-0.479082	-11.2652	-16.9021	HAL3	10257	0	0	0	0.09	
-10261	NA	SLES	1	-9.0736	-20.9259	-37.8399	NA	0	0	0	0	1	
-10262	S	SLES	1	-12.0423	-20.1738	-35.8471	SL	10263	10264	10265	10266	1.33	
-10263	OS1	SLES	1	-10.4708	-19.853	-35.3627	OSL	10262	10267	0	0	-0.28	
-10264	OS2	SLES	1	-12.2358	-19.47	-37.098	O2L	10262	0	0	0	-0.65	
-10265	OS3	SLES	1	-12.1112	-21.6028	-36.0705	O2L	10262	0	0	0	-0.65	
-10266	OS4	SLES	1	-13.0615	-19.773	-34.8905	O2L	10262	0	0	0	-0.65	
-10267	C2	SLES	1	-10.4713	-19.0337	-34.118	CC32A	10263	10268	10269	10270	-0.11	
-10268	H2A	SLES	1	-11.0706	-18.0919	-34.2629	HCA2	10267	0	0	0	0.09	
-10269	H2B	SLES	1	-10.938	-19.6391	-33.2922	HCA2	10267	0	0	0	0.09	
-10270	C1	SLES	1	-8.9631	-18.66	-33.729	CC32A	10267	10271	10272	10273	-0.01	
-10271	H1B	SLES	1	-8.47028	-18.1372	-34.5808	HCA2	10270	0	0	0	0.09	
-10272	H1A	SLES	1	-8.38997	-19.5878	-33.4968	HCA2	10270	0	0	0	0.09	
-10273	O1	SLES	1	-8.69176	-17.7666	-32.5861	OC30A	10270	10274	0	0	-0.34	
-10274	C2	SLES	1	-9.76193	-17.594	-31.6334	CC32A	10273	10275	10276	10277	-0.01	
-10275	H2A	SLES	1	-10.5587	-17.1563	-32.2663	HCA2	10274	0	0	0	0.09	
-10276	H2B	SLES	1	-10.0358	-18.6447	-31.3876	HCA2	10274	0	0	0	0.09	
-10277	C1	SLES	1	-9.62919	-16.7652	-30.3171	CC32A	10274	10278	10279	10280	-0.01	
-10278	H1B	SLES	1	-9.92772	-15.711	-30.5059	HCA2	10277	0	0	0	0.09	
-10279	H1A	SLES	1	-10.3018	-17.1921	-29.5465	HCA2	10277	0	0	0	0.09	
-10280	O1	SLES	1	-8.35521	-16.5479	-29.6297	OC30A	10277	10281	0	0	-0.34	
-10281	C1	SLES	1	-8.45576	-16.3829	-28.168	CTL2	10280	10282	10283	10284	-0.18	
-10282	H11	SLES	1	-9.52823	-16.2727	-27.9254	HAL2	10281	0	0	0	0.09	
-10283	H12	SLES	1	-8.11104	-17.3762	-27.8132	HAL2	10281	0	0	0	0.09	
-10284	C2	SLES	1	-7.63021	-15.2423	-27.4513	CTL2	10281	10285	10286	10287	-0.18	
-10285	H21	SLES	1	-7.07551	-14.6569	-28.2184	HAL2	10284	0	0	0	0.09	
-10286	H22	SLES	1	-6.88432	-15.7088	-26.7712	HAL2	10284	0	0	0	0.09	
-10287	C3	SLES	1	-8.56345	-14.2462	-26.6056	CTL2	10284	10288	10289	10290	-0.18	
-10288	H31	SLES	1	-8.68041	-13.2942	-27.1699	HAL2	10287	0	0	0	0.09	
-10289	H32	SLES	1	-9.56811	-14.7003	-26.4932	HAL2	10287	0	0	0	0.09	
-10290	C4	SLES	1	-7.98137	-13.9229	-25.1672	CTL2	10287	10291	10292	10293	-0.18	
-10291	H41	SLES	1	-7.51433	-12.9161	-25.1862	HAL2	10290	0	0	0	0.09	
-10292	H42	SLES	1	-7.1901	-14.6627	-24.919	HAL2	10290	0	0	0	0.09	
-10293	C5	SLES	1	-9.09931	-13.9587	-24.0298	CTL2	10290	10294	10295	10296	-0.18	
-10294	H51	SLES	1	-10.1025	-13.8795	-24.504	HAL2	10293	0	0	0	0.09	
-10295	H52	SLES	1	-9.04723	-14.9376	-23.5007	HAL2	10293	0	0	0	0.09	
-10296	C6	SLES	1	-8.94056	-12.7982	-22.9765	CTL2	10293	10297	10298	10299	-0.18	
-10297	H61	SLES	1	-9.23182	-11.8346	-23.4516	HAL2	10296	0	0	0	0.09	
-10298	H62	SLES	1	-9.63578	-12.9846	-22.1248	HAL2	10296	0	0	0	0.09	
-10299	C7	SLES	1	-7.48441	-12.675	-22.4263	CTL2	10296	10300	10301	10302	-0.18	
-10300	H71	SLES	1	-6.86703	-12.1078	-23.1576	HAL2	10299	0	0	0	0.09	
-10301	H72	SLES	1	-7.04677	-13.693	-22.3238	HAL2	10299	0	0	0	0.09	
-10302	C8	SLES	1	-7.42355	-11.9589	-21.054	CTL2	10299	10303	10304	10305	-0.18	
-10303	H81	SLES	1	-8.05594	-11.0424	-21.0931	HAL2	10302	0	0	0	0.09	
-10304	H82	SLES	1	-7.84273	-12.6331	-20.2728	HAL2	10302	0	0	0	0.09	
-10305	C9	SLES	1	-5.97962	-11.561	-20.6577	CTL2	10302	10306	10307	10308	-0.18	
-10306	H91	SLES	1	-5.5507	-10.9108	-21.4538	HAL2	10305	0	0	0	0.09	
-10307	H92	SLES	1	-5.35511	-12.4803	-20.5916	HAL2	10305	0	0	0	0.09	
-10308	C10	SLES	1	-5.91779	-10.8106	-19.3063	CTL2	10305	10309	10310	10311	-0.18	
-10309	H10	SLES	1	-6.52367	-9.87874	-19.3797	HAL2	10308	0	0	0	0.09	
-10310	H10	SLES	1	-6.36668	-11.4512	-18.5137	HAL2	10308	0	0	0	0.09	
-10311	C11	SLES	1	-4.46717	-10.4407	-18.8978	CTL2	10308	10312	10313	10314	-0.18	
-10312	H11	SLES	1	-4.02502	-9.79447	-19.6902	HAL2	10311	0	0	0	0.09	
-10313	H11	SLES	1	-3.86098	-11.3737	-18.8432	HAL2	10311	0	0	0	0.09	
-10314	C12	SLES	1	-4.36998	-9.70149	-17.5381	CTL3	10311	10315	10316	10317	-0.27	
-10315	H12	SLES	1	-3.89997	-8.70251	-17.6741	HAL3	10314	0	0	0	0.09	
-10316	H12	SLES	1	-3.75363	-10.2887	-16.8221	HAL3	10314	0	0	0	0.09	
-10317	H12	SLES	1	-5.38247	-9.56014	-17.1011	HAL3	10314	0	0	0	0.09	
-10318	NA	SLES	1	-17.7753	-14.8912	-37.6082	NA	0	0	0	0	1	
-10319	S	SLES	1	-19.2515	-11.7583	-36.4436	SL	10320	10321	10322	10323	1.33	
-10320	OS1	SLES	1	-18.0788	-12.619	-35.612	OSL	10319	10324	0	0	-0.28	
-10321	OS2	SLES	1	-18.6897	-11.4539	-37.7433	O2L	10319	0	0	0	-0.65	
-10322	OS3	SLES	1	-20.3791	-12.6543	-36.5923	O2L	10319	0	0	0	-0.65	
-10323	OS4	SLES	1	-19.6771	-10.5319	-35.7884	O2L	10319	0	0	0	-0.65	
-10324	C2	SLES	1	-17.5782	-11.8241	-34.4553	CC32A	10320	10325	10326	10327	-0.11	
-10325	H2A	SLES	1	-17.2037	-10.819	-34.7966	HCA2	10324	0	0	0	0.09	
-10326	H2B	SLES	1	-18.4275	-11.6705	-33.7332	HCA2	10324	0	0	0	0.09	
-10327	C1	SLES	1	-16.3936	-12.6259	-33.7345	CC32A	10324	10328	10329	10330	-0.01	
-10328	H1B	SLES	1	-15.5893	-12.8566	-34.4705	HCA2	10327	0	0	0	0.09	
-10329	H1A	SLES	1	-16.7829	-13.5831	-33.3158	HCA2	10327	0	0	0	0.09	
-10330	O1	SLES	1	-15.6555	-12.01	-32.6147	OC30A	10327	10331	0	0	-0.34	
-10331	C2	SLES	1	-16.2896	-10.8898	-31.9622	CC32A	10330	10332	10333	10334	-0.01	
-10332	H2A	SLES	1	-16.3761	-10.1638	-32.7942	HCA2	10331	0	0	0	0.09	
-10333	H2B	SLES	1	-17.3018	-11.29	-31.7287	HCA2	10331	0	0	0	0.09	
-10334	C1	SLES	1	-15.7065	-10.1722	-30.7043	CC32A	10331	10335	10336	10337	-0.01	
-10335	H1B	SLES	1	-15.0532	-9.33044	-31.0218	HCA2	10334	0	0	0	0.09	
-10336	H1A	SLES	1	-16.5392	-9.7655	-30.0962	HCA2	10334	0	0	0	0.09	
-10337	O1	SLES	1	-14.8211	-10.8304	-29.7422	OC30A	10334	10338	0	0	-0.34	
-10338	C1	SLES	1	-14.914	-10.3229	-28.361	CTL2	10337	10339	10340	10341	-0.18	
-10339	H11	SLES	1	-15.5209	-9.39996	-28.393	HAL2	10338	0	0	0	0.09	
-10340	H12	SLES	1	-15.5093	-11.1235	-27.8752	HAL2	10338	0	0	0	0.09	
-10341	C2	SLES	1	-13.5936	-10.0608	-27.5339	CTL2	10338	10342	10343	10344	-0.18	
-10342	H21	SLES	1	-12.7115	-10.2793	-28.1766	HAL2	10341	0	0	0	0.09	
-10343	H22	SLES	1	-13.5662	-10.7564	-26.6668	HAL2	10341	0	0	0	0.09	
-10344	C3	SLES	1	-13.4918	-8.54969	-27.0003	CTL2	10341	10345	10346	10347	-0.18	
-10345	H31	SLES	1	-12.7644	-7.99197	-27.6313	HAL2	10344	0	0	0	0.09	
-10346	H32	SLES	1	-14.4805	-8.06086	-27.1086	HAL2	10344	0	0	0	0.09	
-10347	C4	SLES	1	-13.0353	-8.45678	-25.4853	CTL2	10344	10348	10349	10350	-0.18	
-10348	H41	SLES	1	-11.9617	-8.17708	-25.4497	HAL2	10347	0	0	0	0.09	
-10349	H42	SLES	1	-13.1449	-9.45496	-25.0093	HAL2	10347	0	0	0	0.09	
-10350	C5	SLES	1	-13.8807	-7.39018	-24.6532	CTL2	10347	10351	10352	10353	-0.18	
-10351	H51	SLES	1	-14.3909	-6.6997	-25.3606	HAL2	10350	0	0	0	0.09	
-10352	H52	SLES	1	-14.6656	-7.92443	-24.0706	HAL2	10350	0	0	0	0.09	
-10353	C6	SLES	1	-12.9956	-6.54291	-23.6633	CTL2	10350	10354	10355	10356	-0.18	
-10354	H61	SLES	1	-12.377	-5.82794	-24.2509	HAL2	10353	0	0	0	0.09	
-10355	H62	SLES	1	-13.6644	-5.95021	-22.9964	HAL2	10353	0	0	0	0.09	
-10356	C7	SLES	1	-12.0552	-7.42686	-22.7843	CTL2	10353	10357	10358	10359	-0.18	
-10357	H71	SLES	1	-11.1522	-7.69545	-23.376	HAL2	10356	0	0	0	0.09	
-10358	H72	SLES	1	-12.5847	-8.36895	-22.5187	HAL2	10356	0	0	0	0.09	
-10359	C8	SLES	1	-11.6104	-6.71383	-21.483	CTL2	10356	10360	10361	10362	-0.18	
-10360	H81	SLES	1	-11.2875	-5.67608	-21.7285	HAL2	10359	0	0	0	0.09	
-10361	H82	SLES	1	-12.4788	-6.64889	-20.7886	HAL2	10359	0	0	0	0.09	
-10362	C9	SLES	1	-10.4476	-7.45082	-20.7723	CTL2	10359	10363	10364	10365	-0.18	
-10363	H91	SLES	1	-9.59028	-7.5415	-21.4773	HAL2	10362	0	0	0	0.09	
-10364	H92	SLES	1	-10.7804	-8.47839	-20.5024	HAL2	10362	0	0	0	0.09	
-10365	C10	SLES	1	-9.97329	-6.72166	-19.4929	CTL2	10362	10366	10367	10368	-0.18	
-10366	H10	SLES	1	-9.61838	-5.70175	-19.766	HAL2	10365	0	0	0	0.09	
-10367	H10	SLES	1	-10.8353	-6.61094	-18.7967	HAL2	10365	0	0	0	0.09	
-10368	C11	SLES	1	-8.82953	-7.47853	-18.767	CTL2	10365	10369	10370	10371	-0.18	
-10369	H11	SLES	1	-7.96736	-7.58066	-19.4651	HAL2	10368	0	0	0	0.09	
-10370	H11	SLES	1	-9.18311	-8.50366	-18.512	HAL2	10368	0	0	0	0.09	
-10371	C12	SLES	1	-8.34279	-6.78089	-17.4705	CTL3	10368	10372	10373	10374	-0.27	
-10372	H12	SLES	1	-7.26073	-6.53462	-17.547	HAL3	10371	0	0	0	0.09	
-10373	H12	SLES	1	-8.49337	-7.44762	-16.5929	HAL3	10371	0	0	0	0.09	
-10374	H12	SLES	1	-8.90934	-5.83931	-17.3015	HAL3	10371	0	0	0	0.09	
-10375	NA	SLES	1	-23.0866	-4.64001	-37.384	NA	0	0	0	0	1	
-10376	S	SLES	1	-21.5251	-1.35477	-37.0384	SL	10377	10378	10379	10380	1.33	
-10377	OS1	SLES	1	-21.4678	-2.55746	-35.8733	OSL	10376	10381	0	0	-0.28	
-10378	OS2	SLES	1	-20.9522	-1.92348	-38.2408	O2L	10376	0	0	0	-0.65	
-10379	OS3	SLES	1	-22.9281	-1.06607	-37.2506	O2L	10376	0	0	0	-0.65	
-10380	OS4	SLES	1	-20.8176	-0.135579	-36.6814	O2L	10376	0	0	0	-0.65	
-10381	C2	SLES	1	-20.5215	-2.17847	-34.7864	CC32A	10377	10382	10383	10384	-0.11	
-10382	H2A	SLES	1	-19.5035	-1.94865	-35.2084	HCA2	10381	0	0	0	0.09	
-10383	H2B	SLES	1	-20.9183	-1.25993	-34.2715	HCA2	10381	0	0	0	0.09	
-10384	C1	SLES	1	-20.4115	-3.38259	-33.7358	CC32A	10381	10385	10386	10387	-0.01	
-10385	H1B	SLES	1	-20.1033	-4.31629	-34.2602	HCA2	10384	0	0	0	0.09	
-10386	H1A	SLES	1	-21.4001	-3.55336	-33.2493	HCA2	10384	0	0	0	0.09	
-10387	O1	SLES	1	-19.4595	-3.30079	-32.6111	OC30A	10384	10388	0	0	-0.34	
-10388	C2	SLES	1	-18.9644	-1.9866	-32.2789	CC32A	10387	10389	10390	10391	-0.01	
-10389	H2A	SLES	1	-18.456	-1.69316	-33.2182	HCA2	10388	0	0	0	0.09	
-10390	H2B	SLES	1	-19.9023	-1.39531	-32.1788	HCA2	10388	0	0	0	0.09	
-10391	C1	SLES	1	-18.0267	-1.69157	-31.066	CC32A	10388	10392	10393	10394	-0.01	
-10392	H1B	SLES	1	-16.9646	-1.76612	-31.3861	HCA2	10391	0	0	0	0.09	
-10393	H1A	SLES	1	-18.2156	-0.662802	-30.6992	HCA2	10391	0	0	0	0.09	
-10394	O1	SLES	1	-17.9864	-2.52192	-29.8612	OC30A	10391	10395	0	0	-0.34	
-10395	C1	SLES	1	-17.6307	-1.80602	-28.6223	CTL2	10394	10396	10397	10398	-0.18	
-10396	H11	SLES	1	-17.2809	-0.799823	-28.9162	HAL2	10395	0	0	0	0.09	
-10397	H12	SLES	1	-18.6228	-1.70945	-28.1348	HAL2	10395	0	0	0	0.09	
-10398	C2	SLES	1	-16.5996	-2.45223	-27.6145	CTL2	10395	10399	10400	10401	-0.18	
-10399	H21	SLES	1	-16.2326	-3.41488	-28.0358	HAL2	10398	0	0	0	0.09	
-10400	H22	SLES	1	-17.1202	-2.67374	-26.6572	HAL2	10398	0	0	0	0.09	
-10401	C3	SLES	1	-15.3435	-1.49561	-27.3218	CTL2	10398	10402	10403	10404	-0.18	
-10402	H31	SLES	1	-14.4621	-1.87391	-27.8859	HAL2	10401	0	0	0	0.09	
-10403	H32	SLES	1	-15.5718	-0.476168	-27.6917	HAL2	10401	0	0	0	0.09	
-10404	C4	SLES	1	-14.9724	-1.41332	-25.7831	CTL2	10401	10405	10406	10407	-0.18	
-10405	H41	SLES	1	-14.0884	-2.05671	-25.5914	HAL2	10404	0	0	0	0.09	
-10406	H42	SLES	1	-15.8197	-1.80772	-25.1817	HAL2	10404	0	0	0	0.09	
-10407	C5	SLES	1	-14.6482	0.0746341	-25.308	CTL2	10404	10408	10409	10410	-0.18	
-10408	H51	SLES	1	-14.4285	0.701032	-26.2006	HAL2	10407	0	0	0	0.09	
-10409	H52	SLES	1	-15.5473	0.498818	-24.8053	HAL2	10407	0	0	0	0.09	
-10410	C6	SLES	1	-13.4247	0.150215	-24.3187	CTL2	10407	10411	10412	10413	-0.18	
-10411	H61	SLES	1	-12.4866	-0.0403808	-24.8867	HAL2	10410	0	0	0	0.09	
-10412	H62	SLES	1	-13.3655	1.1796	-23.8941	HAL2	10410	0	0	0	0.09	
-10413	C7	SLES	1	-13.5288	-0.877405	-23.1476	CTL2	10410	10414	10415	10416	-0.18	
-10414	H71	SLES	1	-13.1877	-1.87334	-23.5075	HAL2	10413	0	0	0	0.09	
-10415	H72	SLES	1	-14.5937	-0.970136	-22.8383	HAL2	10413	0	0	0	0.09	
-10416	C8	SLES	1	-12.6797	-0.46893	-21.918	CTL2	10413	10417	10418	10419	-0.18	
-10417	H81	SLES	1	-11.6672	-0.156456	-22.2622	HAL2	10416	0	0	0	0.09	
-10418	H82	SLES	1	-13.1584	0.404428	-21.4193	HAL2	10416	0	0	0	0.09	
-10419	C9	SLES	1	-12.5326	-1.62016	-20.8917	CTL2	10416	10420	10421	10422	-0.18	
-10420	H91	SLES	1	-12.0811	-2.50306	-21.3987	HAL2	10419	0	0	0	0.09	
-10421	H92	SLES	1	-13.543	-1.91287	-20.5274	HAL2	10419	0	0	0	0.09	
-10422	C10	SLES	1	-11.6529	-1.22995	-19.6804	CTL2	10419	10423	10424	10425	-0.18	
-10423	H10	SLES	1	-10.6348	-0.959464	-20.0425	HAL2	10422	0	0	0	0.09	
-10424	H10	SLES	1	-12.0915	-0.333712	-19.1861	HAL2	10422	0	0	0	0.09	
-10425	C11	SLES	1	-11.5329	-2.37482	-18.6398	CTL2	10422	10426	10427	10428	-0.18	
-10426	H11	SLES	1	-11.0874	-3.26653	-19.1373	HAL2	10425	0	0	0	0.09	
-10427	H11	SLES	1	-12.5544	-2.65392	-18.2942	HAL2	10425	0	0	0	0.09	
-10428	C12	SLES	1	-10.6701	-2.00866	-17.4045	CTL3	10425	10429	10430	10431	-0.27	
-10429	H12	SLES	1	-9.80833	-2.70622	-17.3144	HAL3	10428	0	0	0	0.09	
-10430	H12	SLES	1	-11.278	-2.07452	-16.4752	HAL3	10428	0	0	0	0.09	
-10431	H12	SLES	1	-10.2787	-0.972339	-17.4991	HAL3	10428	0	0	0	0.09	
-10432	NA	SLES	1	-22.359	7.74373	-37.3121	NA	0	0	0	0	1	
-10433	S	SLES	1	-18.7875	8.46681	-37.5813	SL	10434	10435	10436	10437	1.33	
-10434	OS1	SLES	1	-19.5505	7.97598	-36.1726	OSL	10433	10438	0	0	-0.28	
-10435	OS2	SLES	1	-19.0415	7.43408	-38.5644	O2L	10433	0	0	0	-0.65	
-10436	OS3	SLES	1	-19.4354	9.69811	-37.9822	O2L	10433	0	0	0	-0.65	
-10437	OS4	SLES	1	-17.3557	8.68197	-37.4476	O2L	10433	0	0	0	-0.65	
-10438	C2	SLES	1	-18.5422	7.67331	-35.118	CC32A	10434	10439	10440	10441	-0.11	
-10439	H2A	SLES	1	-17.7999	6.91096	-35.4855	HCA2	10438	0	0	0	0.09	
-10440	H2B	SLES	1	-17.9942	8.62292	-34.8648	HCA2	10438	0	0	0	0.09	
-10441	C1	SLES	1	-19.2891	7.11592	-33.8152	CC32A	10438	10442	10443	10444	-0.01	
-10442	H1B	SLES	1	-19.9039	6.22573	-34.0824	HCA2	10441	0	0	0	0.09	
-10443	H1A	SLES	1	-19.959	7.90248	-33.3961	HCA2	10441	0	0	0	0.09	
-10444	O1	SLES	1	-18.5063	6.64602	-32.6558	OC30A	10441	10445	0	0	-0.34	
-10445	C2	SLES	1	-17.1312	7.07857	-32.5874	CC32A	10444	10446	10447	10448	-0.01	
-10446	H2A	SLES	1	-16.7126	6.64721	-33.5177	HCA2	10445	0	0	0	0.09	
-10447	H2B	SLES	1	-17.2203	8.18128	-32.7117	HCA2	10445	0	0	0	0.09	
-10448	C1	SLES	1	-16.1781	6.76099	-31.3923	CC32A	10445	10449	10450	10451	-0.01	
-10449	H1B	SLES	1	-15.6356	5.81043	-31.5876	HCA2	10448	0	0	0	0.09	
-10450	H1A	SLES	1	-15.4365	7.57825	-31.2886	HCA2	10448	0	0	0	0.09	
-10451	O1	SLES	1	-16.6535	6.50581	-30.0316	OC30A	10448	10452	0	0	-0.34	
-10452	C1	SLES	1	-15.7178	6.89579	-28.9609	CTL2	10451	10453	10454	10455	-0.18	
-10453	H11	SLES	1	-14.7525	7.13486	-29.4427	HAL2	10452	0	0	0	0.09	
-10454	H12	SLES	1	-16.1795	7.83884	-28.602	HAL2	10452	0	0	0	0.09	
-10455	C2	SLES	1	-15.4747	5.92079	-27.7417	CTL2	10452	10456	10457	10458	-0.18	
-10456	H21	SLES	1	-16.0636	4.98918	-27.8969	HAL2	10455	0	0	0	0.09	
-10457	H22	SLES	1	-15.8417	6.40693	-26.8114	HAL2	10455	0	0	0	0.09	
-10458	C3	SLES	1	-13.9259	5.5376	-27.5599	CTL2	10455	10459	10460	10461	-0.18	
-10459	H31	SLES	1	-13.7625	4.50428	-27.9391	HAL2	10458	0	0	0	0.09	
-10460	H32	SLES	1	-13.3092	6.22572	-28.1717	HAL2	10458	0	0	0	0.09	
-10461	C4	SLES	1	-13.4411	5.61474	-26.0528	CTL2	10458	10462	10463	10464	-0.18	
-10462	H41	SLES	1	-13.3885	4.58615	-25.6388	HAL2	10461	0	0	0	0.09	
-10463	H42	SLES	1	-14.1869	6.18523	-25.4583	HAL2	10461	0	0	0	0.09	
-10464	C5	SLES	1	-12.0145	6.31235	-25.9013	CTL2	10461	10465	10466	10467	-0.18	
-10465	H51	SLES	1	-11.5027	6.31036	-26.8889	HAL2	10464	0	0	0	0.09	
-10466	H52	SLES	1	-12.1603	7.37302	-25.5936	HAL2	10464	0	0	0	0.09	
-10467	C6	SLES	1	-11.0898	5.5956	-24.8466	CTL2	10464	10468	10469	10470	-0.18	
-10468	H61	SLES	1	-10.7449	4.62436	-25.2671	HAL2	10467	0	0	0	0.09	
-10469	H62	SLES	1	-10.1904	6.22902	-24.664	HAL2	10467	0	0	0	0.09	
-10470	C7	SLES	1	-11.8118	5.33425	-23.4869	CTL2	10467	10471	10472	10473	-0.18	
-10471	H71	SLES	1	-12.4347	4.41689	-23.5775	HAL2	10470	0	0	0	0.09	
-10472	H72	SLES	1	-12.489	6.18875	-23.2643	HAL2	10470	0	0	0	0.09	
-10473	C8	SLES	1	-10.821	5.15546	-22.3097	CTL2	10470	10474	10475	10476	-0.18	
-10474	H81	SLES	1	-10.007	4.4612	-22.621	HAL2	10473	0	0	0	0.09	
-10475	H82	SLES	1	-10.3599	6.14049	-22.0694	HAL2	10473	0	0	0	0.09	
-10476	C9	SLES	1	-11.5068	4.59389	-21.0391	CTL2	10473	10477	10478	10479	-0.18	
-10477	H91	SLES	1	-11.9929	3.62316	-21.2877	HAL2	10476	0	0	0	0.09	
-10478	H92	SLES	1	-12.3014	5.30207	-20.7126	HAL2	10476	0	0	0	0.09	
-10479	C10	SLES	1	-10.5142	4.37651	-19.8726	CTL2	10476	10480	10481	10482	-0.18	
-10480	H10	SLES	1	-9.73218	3.65002	-20.1911	HAL2	10479	0	0	0	0.09	
-10481	H10	SLES	1	-10.0115	5.34212	-19.6381	HAL2	10479	0	0	0	0.09	
-10482	C11	SLES	1	-11.2097	3.84312	-18.592	CTL2	10479	10483	10484	10485	-0.18	
-10483	H11	SLES	1	-11.705	2.87403	-18.83	HAL2	10482	0	0	0	0.09	
-10484	H11	SLES	1	-12.0026	4.56395	-18.2878	HAL2	10482	0	0	0	0.09	
-10485	C12	SLES	1	-10.243	3.63037	-17.3983	CTL3	10482	10486	10487	10488	-0.27	
-10486	H12	SLES	1	-10.2594	2.5669	-17.0726	HAL3	10485	0	0	0	0.09	
-10487	H12	SLES	1	-10.544	4.269	-16.5387	HAL3	10485	0	0	0	0.09	
-10488	H12	SLES	1	-9.20348	3.89569	-17.6899	HAL3	10485	0	0	0	0.09	
-10489	NA	SLES	1	-14.6545	18.1831	-37.506	NA	0	0	0	0	1	
-10490	S	SLES	1	-12.0872	15.6369	-38.0316	SL	10491	10492	10493	10494	1.33	
-10491	OS1	SLES	1	-12.6146	16.1531	-36.5273	OSL	10490	10495	0	0	-0.28	
-10492	OS2	SLES	1	-13.258	15.1458	-38.7284	O2L	10490	0	0	0	-0.65	
-10493	OS3	SLES	1	-11.5717	16.8118	-38.7027	O2L	10490	0	0	0	-0.65	
-10494	OS4	SLES	1	-11.0656	14.6029	-37.9898	O2L	10490	0	0	0	-0.65	
-10495	C2	SLES	1	-12.0503	15.2842	-35.4564	CC32A	10491	10496	10497	10498	-0.11	
-10496	H2A	SLES	1	-12.304	14.2041	-35.6465	HCA2	10495	0	0	0	0.09	
-10497	H2B	SLES	1	-10.9311	15.4007	-35.4546	HCA2	10495	0	0	0	0.09	
-10498	C1	SLES	1	-12.6436	15.7371	-34.0391	CC32A	10495	10499	10500	10501	-0.01	
-10499	H1B	SLES	1	-13.7572	15.7069	-34.0671	HCA2	10498	0	0	0	0.09	
-10500	H1A	SLES	1	-12.3181	16.7779	-33.8064	HCA2	10498	0	0	0	0.09	
-10501	O1	SLES	1	-12.3188	14.9711	-32.8202	OC30A	10498	10502	0	0	-0.34	
-10502	C2	SLES	1	-11.1719	14.0981	-32.893	CC32A	10501	10503	10504	10505	-0.01	
-10503	H2A	SLES	1	-11.4697	13.4017	-33.7013	HCA2	10502	0	0	0	0.09	
-10504	H2B	SLES	1	-10.3782	14.7767	-33.2786	HCA2	10502	0	0	0	0.09	
-10505	C1	SLES	1	-10.6213	13.2828	-31.6809	CC32A	10502	10506	10507	10508	-0.01	
-10506	H1B	SLES	1	-11.1021	12.2807	-31.6534	HCA2	10505	0	0	0	0.09	
-10507	H1A	SLES	1	-9.52718	13.1487	-31.7968	HCA2	10505	0	0	0	0.09	
-10508	O1	SLES	1	-10.8074	13.6907	-30.2874	OC30A	10505	10509	0	0	-0.34	
-10509	C1	SLES	1	-9.73408	13.273	-29.3668	CTL2	10508	10510	10511	10512	-0.18	
-10510	H11	SLES	1	-9.09251	12.5604	-29.9162	HAL2	10509	0	0	0	0.09	
-10511	H12	SLES	1	-9.17808	14.2243	-29.2358	HAL2	10509	0	0	0	0.09	
-10512	C2	SLES	1	-10.106	12.6711	-27.9541	CTL2	10509	10513	10514	10515	-0.18	
-10513	H21	SLES	1	-11.2136	12.6098	-27.8642	HAL2	10512	0	0	0	0.09	
-10514	H22	SLES	1	-9.73533	13.3562	-27.1605	HAL2	10512	0	0	0	0.09	
-10515	C3	SLES	1	-9.47986	11.2105	-27.7236	CTL2	10512	10516	10517	10518	-0.18	
-10516	H31	SLES	1	-10.283	10.4499	-27.8451	HAL2	10515	0	0	0	0.09	
-10517	H32	SLES	1	-8.71143	11.0203	-28.4992	HAL2	10515	0	0	0	0.09	
-10518	C4	SLES	1	-8.82029	11.0377	-26.2928	CTL2	10515	10519	10520	10521	-0.18	
-10519	H41	SLES	1	-9.51498	10.4652	-25.6433	HAL2	10518	0	0	0	0.09	
-10520	H42	SLES	1	-8.67197	12.0398	-25.8358	HAL2	10518	0	0	0	0.09	
-10521	C5	SLES	1	-7.41676	10.2817	-26.3505	CTL2	10518	10522	10523	10524	-0.18	
-10522	H51	SLES	1	-7.33371	9.74378	-27.3207	HAL2	10521	0	0	0	0.09	
-10523	H52	SLES	1	-6.59708	11.0347	-26.3056	HAL2	10521	0	0	0	0.09	
-10524	C6	SLES	1	-7.22763	9.24804	-25.177	CTL2	10521	10525	10526	10527	-0.18	
-10525	H61	SLES	1	-7.88616	8.36904	-25.358	HAL2	10524	0	0	0	0.09	
-10526	H62	SLES	1	-6.1713	8.89081	-25.1759	HAL2	10524	0	0	0	0.09	
-10527	C7	SLES	1	-7.56064	9.85408	-23.777	CTL2	10524	10528	10529	10530	-0.18	
-10528	H71	SLES	1	-8.66288	9.83638	-23.6269	HAL2	10527	0	0	0	0.09	
-10529	H72	SLES	1	-7.22744	10.9155	-23.7512	HAL2	10527	0	0	0	0.09	
-10530	C8	SLES	1	-6.88243	9.08386	-22.6166	CTL2	10527	10531	10532	10533	-0.18	
-10531	H81	SLES	1	-7.02922	7.99018	-22.7706	HAL2	10530	0	0	0	0.09	
-10532	H82	SLES	1	-5.78797	9.28995	-22.6338	HAL2	10530	0	0	0	0.09	
-10533	C9	SLES	1	-7.45076	9.48068	-21.231	CTL2	10530	10534	10535	10536	-0.18	
-10534	H91	SLES	1	-8.55003	9.30207	-21.2248	HAL2	10533	0	0	0	0.09	
-10535	H92	SLES	1	-7.2786	10.5682	-21.0662	HAL2	10533	0	0	0	0.09	
-10536	C10	SLES	1	-6.80426	8.68595	-20.0718	CTL2	10533	10537	10538	10539	-0.18	
-10537	H10	SLES	1	-6.99643	7.59939	-20.2242	HAL2	10536	0	0	0	0.09	
-10538	H10	SLES	1	-5.70248	8.84641	-20.0909	HAL2	10536	0	0	0	0.09	
-10539	C11	SLES	1	-7.35374	9.10768	-18.6832	CTL2	10536	10540	10541	10542	-0.18	
-10540	H11	SLES	1	-8.45481	8.93889	-18.6668	HAL2	10539	0	0	0	0.09	
-10541	H11	SLES	1	-7.17539	10.1983	-18.543	HAL2	10539	0	0	0	0.09	
-10542	C12	SLES	1	-6.7128	8.34014	-17.498	CTL3	10539	10543	10544	10545	-0.27	
-10543	H12	SLES	1	-7.49342	7.79386	-16.924	HAL3	10542	0	0	0	0.09	
-10544	H12	SLES	1	-6.19868	9.04854	-16.8116	HAL3	10542	0	0	0	0.09	
-10545	H12	SLES	1	-5.96743	7.60437	-17.8711	HAL3	10542	0	0	0	0.09	
-10546	NA	SLES	1	-2.24273	22.4019	-38.0159	NA	0	0	0	0	1	
-10547	S	SLES	1	-3.04627	18.8551	-38.3695	SL	10548	10549	10550	10551	1.33	
-10548	OS1	SLES	1	-2.54971	19.5754	-36.9405	OSL	10547	10552	0	0	-0.28	
-10549	OS2	SLES	1	-4.2407	19.5591	-38.7881	O2L	10547	0	0	0	-0.65	
-10550	OS3	SLES	1	-1.98192	19.0802	-39.325	O2L	10547	0	0	0	-0.65	
-10551	OS4	SLES	1	-3.3223	17.4315	-38.2626	O2L	10547	0	0	0	-0.65	
-10552	C2	SLES	1	-2.68974	18.6204	-35.8053	CC32A	10548	10553	10554	10555	-0.11	
-10553	H2A	SLES	1	-3.74464	18.233	-35.7401	HCA2	10552	0	0	0	0.09	
-10554	H2B	SLES	1	-1.99345	17.7538	-35.9796	HCA2	10552	0	0	0	0.09	
-10555	C1	SLES	1	-2.30067	19.3606	-34.439	CC32A	10552	10556	10557	10558	-0.01	
-10556	H1B	SLES	1	-2.93055	20.2705	-34.3082	HCA2	10555	0	0	0	0.09	
-10557	H1A	SLES	1	-1.22876	19.6664	-34.4649	HCA2	10555	0	0	0	0.09	
-10558	O1	SLES	1	-2.45073	18.6614	-33.1481	OC30A	10555	10559	0	0	-0.34	
-10559	C2	SLES	1	-2.55699	17.2232	-33.2015	CC32A	10558	10560	10561	10562	-0.01	
-10560	H2A	SLES	1	-3.47476	17.0874	-33.8066	HCA2	10559	0	0	0	0.09	
-10561	H2B	SLES	1	-1.67502	16.9405	-33.8192	HCA2	10559	0	0	0	0.09	
-10562	C1	SLES	1	-2.62704	16.3089	-31.9381	CC32A	10559	10563	10564	10565	-0.01	
-10563	H1B	SLES	1	-3.68844	16.1529	-31.6463	HCA2	10562	0	0	0	0.09	
-10564	H1A	SLES	1	-2.1751	15.3245	-32.1733	HCA2	10562	0	0	0	0.09	
-10565	O1	SLES	1	-2.06116	16.6855	-30.6416	OC30A	10562	10566	0	0	-0.34	
-10566	C1	SLES	1	-1.59935	15.5577	-29.8117	CTL2	10565	10567	10568	10569	-0.18	
-10567	H11	SLES	1	-1.9627	14.6304	-30.2905	HAL2	10566	0	0	0	0.09	
-10568	H12	SLES	1	-0.500249	15.6223	-29.9498	HAL2	10566	0	0	0	0.09	
-10569	C2	SLES	1	-1.9445	15.5286	-28.2702	CTL2	10566	10570	10571	10572	-0.18	
-10570	H21	SLES	1	-2.56779	16.416	-28.0194	HAL2	10569	0	0	0	0.09	
-10571	H22	SLES	1	-1.00018	15.5977	-27.687	HAL2	10569	0	0	0	0.09	
-10572	C3	SLES	1	-2.73221	14.1967	-27.8412	CTL2	10569	10573	10574	10575	-0.18	
-10573	H31	SLES	1	-3.80781	14.4434	-27.6979	HAL2	10572	0	0	0	0.09	
-10574	H32	SLES	1	-2.66	13.4544	-28.6609	HAL2	10572	0	0	0	0.09	
-10575	C4	SLES	1	-2.17185	13.5474	-26.5083	CTL2	10572	10576	10577	10578	-0.18	
-10576	H41	SLES	1	-2.85109	13.8057	-25.6692	HAL2	10575	0	0	0	0.09	
-10577	H42	SLES	1	-1.17222	13.9783	-26.2846	HAL2	10575	0	0	0	0.09	
-10578	C5	SLES	1	-2.04196	11.9604	-26.6055	CTL2	10575	10579	10580	10581	-0.18	
-10579	H51	SLES	1	-2.66606	11.5961	-27.4512	HAL2	10578	0	0	0	0.09	
-10580	H52	SLES	1	-0.982057	11.696	-26.8237	HAL2	10578	0	0	0	0.09	
-10581	C6	SLES	1	-2.49205	11.2259	-25.2867	CTL2	10578	10582	10583	10584	-0.18	
-10582	H61	SLES	1	-3.59993	11.2868	-25.1974	HAL2	10581	0	0	0	0.09	
-10583	H62	SLES	1	-2.21244	10.1488	-25.3587	HAL2	10581	0	0	0	0.09	
-10584	C7	SLES	1	-1.84352	11.8345	-24.0032	CTL2	10581	10585	10586	10587	-0.18	
-10585	H71	SLES	1	-2.41419	12.7413	-23.7036	HAL2	10584	0	0	0	0.09	
-10586	H72	SLES	1	-0.800655	12.146	-24.2351	HAL2	10584	0	0	0	0.09	
-10587	C8	SLES	1	-1.82104	10.8392	-22.8165	CTL2	10584	10588	10589	10590	-0.18	
-10588	H81	SLES	1	-2.8207	10.3552	-22.7281	HAL2	10587	0	0	0	0.09	
-10589	H82	SLES	1	-1.07026	10.0429	-23.0236	HAL2	10587	0	0	0	0.09	
-10590	C9	SLES	1	-1.47154	11.5277	-21.4733	CTL2	10587	10591	10592	10593	-0.18	
-10591	H91	SLES	1	-2.20533	12.3432	-21.2815	HAL2	10590	0	0	0	0.09	
-10592	H92	SLES	1	-0.460607	11.9871	-21.5533	HAL2	10590	0	0	0	0.09	
-10593	C10	SLES	1	-1.48617	10.5451	-20.2784	CTL2	10590	10594	10595	10596	-0.18	
-10594	H10	SLES	1	-2.5041	10.1028	-20.1837	HAL2	10593	0	0	0	0.09	
-10595	H10	SLES	1	-0.768801	9.71746	-20.4793	HAL2	10593	0	0	0	0.09	
-10596	C11	SLES	1	-1.1057	11.2317	-18.9398	CTL2	10593	10597	10598	10599	-0.18	
-10597	H11	SLES	1	-1.83007	12.0542	-18.7399	HAL2	10596	0	0	0	0.09	
-10598	H11	SLES	1	-0.0948664	11.6878	-19.0452	HAL2	10596	0	0	0	0.09	
-10599	C12	SLES	1	-1.09509	10.2688	-17.7244	CTL3	10596	10600	10601	10602	-0.27	
-10600	H12	SLES	1	-1.81754	10.6134	-16.9519	HAL3	10599	0	0	0	0.09	
-10601	H12	SLES	1	-0.0806753	10.2317	-17.2695	HAL3	10599	0	0	0	0.09	
-10602	H12	SLES	1	-1.37883	9.2417	-18.0417	HAL3	10599	0	0	0	0.09	
-10603	NA	SLES	1	9.91147	18.6479	-38.8085	NA	0	0	0	0	1	
-10604	S	SLES	1	6.46034	17.4655	-38.6035	SL	10605	10606	10607	10608	1.33	
-10605	OS1	SLES	1	7.60584	17.2563	-37.3988	OSL	10604	10609	0	0	-0.28	
-10606	OS2	SLES	1	6.36051	18.8926	-38.8287	O2L	10604	0	0	0	-0.65	
-10607	OS3	SLES	1	6.99358	16.8171	-39.7833	O2L	10604	0	0	0	-0.65	
-10608	OS4	SLES	1	5.1492	16.9207	-38.2896	O2L	10604	0	0	0	-0.65	
-10609	C2	SLES	1	6.96536	16.7192	-36.1652	CC32A	10605	10610	10611	10612	-0.11	
-10610	H2A	SLES	1	6.11983	17.3849	-35.8348	HCA2	10609	0	0	0	0.09	
-10611	H2B	SLES	1	6.55617	15.6958	-36.3918	HCA2	10609	0	0	0	0.09	
-10612	C1	SLES	1	8.06038	16.6184	-35.0005	CC32A	10609	10613	10614	10615	-0.01	
-10613	H1B	SLES	1	8.53063	17.615	-34.8349	HCA2	10612	0	0	0	0.09	
-10614	H1A	SLES	1	8.85407	15.8899	-35.2877	HCA2	10612	0	0	0	0.09	
-10615	O1	SLES	1	7.66085	16.2071	-33.6407	OC30A	10612	10616	0	0	-0.34	
-10616	C2	SLES	1	6.39088	15.5329	-33.5173	CC32A	10615	10617	10618	10619	-0.01	
-10617	H2A	SLES	1	5.68936	16.3029	-33.8937	HCA2	10616	0	0	0	0.09	
-10618	H2B	SLES	1	6.47491	14.7226	-34.276	HCA2	10616	0	0	0	0.09	
-10619	C1	SLES	1	5.84596	14.943	-32.1785	CC32A	10616	10620	10621	10622	-0.01	
-10620	H1B	SLES	1	5.23717	15.7094	-31.6511	HCA2	10619	0	0	0	0.09	
-10621	H1A	SLES	1	5.20198	14.0683	-32.3993	HCA2	10619	0	0	0	0.09	
-10622	O1	SLES	1	6.71157	14.5086	-31.0808	OC30A	10619	10623	0	0	-0.34	
-10623	C1	SLES	1	6.16891	13.4148	-30.2543	CTL2	10622	10624	10625	10626	-0.18	
-10624	H11	SLES	1	5.11049	13.2824	-30.5431	HAL2	10623	0	0	0	0.09	
-10625	H12	SLES	1	6.75146	12.5487	-30.6308	HAL2	10623	0	0	0	0.09	
-10626	C2	SLES	1	6.28315	13.4935	-28.6805	CTL2	10623	10627	10628	10629	-0.18	
-10627	H21	SLES	1	6.76221	14.4575	-28.3975	HAL2	10626	0	0	0	0.09	
-10628	H22	SLES	1	6.93766	12.6683	-28.3239	HAL2	10626	0	0	0	0.09	
-10629	C3	SLES	1	4.85534	13.3847	-27.9538	CTL2	10626	10630	10631	10632	-0.18	
-10630	H31	SLES	1	4.54662	14.3972	-27.6104	HAL2	10629	0	0	0	0.09	
-10631	H32	SLES	1	4.10314	13.0303	-28.6865	HAL2	10629	0	0	0	0.09	
-10632	C4	SLES	1	4.86577	12.4013	-26.7108	CTL2	10629	10633	10634	10635	-0.18	
-10633	H41	SLES	1	4.90892	13.0013	-25.7779	HAL2	10632	0	0	0	0.09	
-10634	H42	SLES	1	5.77853	11.7688	-26.7535	HAL2	10632	0	0	0	0.09	
-10635	C5	SLES	1	3.58181	11.4558	-26.6647	CTL2	10632	10636	10637	10638	-0.18	
-10636	H51	SLES	1	2.78863	11.8886	-27.3136	HAL2	10635	0	0	0	0.09	
-10637	H52	SLES	1	3.85246	10.4564	-27.0757	HAL2	10635	0	0	0	0.09	
-10638	C6	SLES	1	3.0064	11.2726	-25.2098	CTL2	10635	10639	10640	10641	-0.18	
-10639	H61	SLES	1	2.51469	12.2194	-24.8923	HAL2	10638	0	0	0	0.09	
-10640	H62	SLES	1	2.23067	10.4717	-25.2254	HAL2	10638	0	0	0	0.09	
-10641	C7	SLES	1	4.10573	10.8951	-24.1671	CTL2	10638	10642	10643	10644	-0.18	
-10642	H71	SLES	1	4.63767	11.8193	-23.85	HAL2	10641	0	0	0	0.09	
-10643	H72	SLES	1	4.84762	10.2198	-24.6488	HAL2	10641	0	0	0	0.09	
-10644	C8	SLES	1	3.52418	10.1942	-22.9141	CTL2	10641	10645	10646	10647	-0.18	
-10645	H81	SLES	1	2.63038	10.7591	-22.5627	HAL2	10644	0	0	0	0.09	
-10646	H82	SLES	1	3.19488	9.16702	-23.1916	HAL2	10644	0	0	0	0.09	
-10647	C9	SLES	1	4.55112	10.1016	-21.7577	CTL2	10644	10648	10649	10650	-0.18	
-10648	H91	SLES	1	4.90207	11.1269	-21.5008	HAL2	10647	0	0	0	0.09	
-10649	H92	SLES	1	5.43175	9.51316	-22.1008	HAL2	10647	0	0	0	0.09	
-10650	C10	SLES	1	3.96317	9.43761	-20.4901	CTL2	10647	10651	10652	10653	-0.18	
-10651	H10	SLES	1	3.09635	10.0393	-20.1332	HAL2	10650	0	0	0	0.09	
-10652	H10	SLES	1	3.5919	8.42074	-20.7512	HAL2	10650	0	0	0	0.09	
-10653	C11	SLES	1	5.0033	9.31873	-19.3447	CTL2	10650	10654	10655	10656	-0.18	
-10654	H11	SLES	1	5.36645	10.3388	-19.0826	HAL2	10653	0	0	0	0.09	
-10655	H11	SLES	1	5.87589	8.73175	-19.7121	HAL2	10653	0	0	0	0.09	
-10656	C12	SLES	1	4.44872	8.64154	-18.0647	CTL3	10653	10657	10658	10659	-0.27	
-10657	H12	SLES	1	4.52877	9.3322	-17.1964	HAL3	10656	0	0	0	0.09	
-10658	H12	SLES	1	5.02372	7.71709	-17.8364	HAL3	10656	0	0	0	0.09	
-10659	H12	SLES	1	3.3798	8.36883	-18.2031	HAL3	10656	0	0	0	0.09	
-10660	NA	SLES	1	16.9254	9.17265	-39.7678	NA	0	0	0	0	1	
-10661	S	SLES	1	14.2423	11.4438	-38.7712	SL	10662	10663	10664	10665	1.33	
-10662	OS1	SLES	1	14.7445	10.1206	-37.8744	OSL	10661	10666	0	0	-0.28	
-10663	OS2	SLES	1	15.408	12.2855	-38.945	O2L	10661	0	0	0	-0.65	
-10664	OS3	SLES	1	13.8156	10.923	-40.0531	O2L	10661	0	0	0	-0.65	
-10665	OS4	SLES	1	13.1648	12.209	-38.1647	O2L	10661	0	0	0	-0.65	
-10666	C2	SLES	1	14.0966	10.1305	-36.5326	CC32A	10662	10667	10668	10669	-0.11	
-10667	H2A	SLES	1	14.2972	11.1028	-36.0019	HCA2	10666	0	0	0	0.09	
-10668	H2B	SLES	1	12.986	10.0136	-36.6714	HCA2	10666	0	0	0	0.09	
-10669	C1	SLES	1	14.664	8.91223	-35.6611	CC32A	10666	10670	10671	10672	-0.01	
-10670	H1B	SLES	1	15.7746	8.97737	-35.5964	HCA2	10669	0	0	0	0.09	
-10671	H1A	SLES	1	14.3882	7.94315	-36.1385	HCA2	10669	0	0	0	0.09	
-10672	O1	SLES	1	14.2555	8.75519	-34.2517	OC30A	10669	10673	0	0	-0.34	
-10673	C2	SLES	1	13.0658	9.46182	-33.842	CC32A	10672	10674	10675	10676	-0.01	
-10674	H2A	SLES	1	13.3529	10.5149	-34.0305	HCA2	10673	0	0	0	0.09	
-10675	H2B	SLES	1	12.3243	9.14901	-34.6112	HCA2	10673	0	0	0	0.09	
-10676	C1	SLES	1	12.4295	9.34272	-32.4213	CC32A	10673	10677	10678	10679	-0.01	
-10677	H1B	SLES	1	12.8534	10.1242	-31.7537	HCA2	10676	0	0	0	0.09	
-10678	H1A	SLES	1	11.3343	9.49609	-32.4969	HCA2	10676	0	0	0	0.09	
-10679	O1	SLES	1	12.589	8.16569	-31.5658	OC30A	10676	10680	0	0	-0.34	
-10680	C1	SLES	1	11.463	7.90267	-30.651	CTL2	10679	10681	10682	10683	-0.18	
-10681	H11	SLES	1	10.8029	8.78831	-30.6835	HAL2	10680	0	0	0	0.09	
-10682	H12	SLES	1	10.9557	7.06166	-31.1673	HAL2	10680	0	0	0	0.09	
-10683	C2	SLES	1	11.752	7.51187	-29.1476	CTL2	10680	10684	10685	10686	-0.18	
-10684	H21	SLES	1	12.8508	7.52844	-28.9714	HAL2	10683	0	0	0	0.09	
-10685	H22	SLES	1	11.392	6.47515	-28.9681	HAL2	10683	0	0	0	0.09	
-10686	C3	SLES	1	11.0391	8.50459	-28.1061	CTL2	10683	10687	10688	10689	-0.18	
-10687	H31	SLES	1	11.8031	9.1951	-27.6844	HAL2	10686	0	0	0	0.09	
-10688	H32	SLES	1	10.2889	9.1164	-28.6456	HAL2	10686	0	0	0	0.09	
-10689	C4	SLES	1	10.3217	7.74291	-26.9156	CTL2	10686	10690	10691	10692	-0.18	
-10690	H41	SLES	1	10.9609	7.80721	-26.0104	HAL2	10689	0	0	0	0.09	
-10691	H42	SLES	1	10.2127	6.66955	-27.1821	HAL2	10689	0	0	0	0.09	
-10692	C5	SLES	1	8.8817	8.34273	-26.5817	CTL2	10689	10693	10694	10695	-0.18	
-10693	H51	SLES	1	8.80314	9.36286	-27.0183	HAL2	10692	0	0	0	0.09	
-10694	H52	SLES	1	8.10344	7.70505	-27.0598	HAL2	10692	0	0	0	0.09	
-10695	C6	SLES	1	8.5955	8.42697	-25.035	CTL2	10692	10696	10697	10698	-0.18	
-10696	H61	SLES	1	9.21079	9.24422	-24.5961	HAL2	10695	0	0	0	0.09	
-10697	H62	SLES	1	7.52178	8.68433	-24.8789	HAL2	10695	0	0	0	0.09	
-10698	C7	SLES	1	8.91227	7.09327	-24.2872	CTL2	10695	10699	10700	10701	-0.18	
-10699	H71	SLES	1	10.006	7.03837	-24.0909	HAL2	10698	0	0	0	0.09	
-10700	H72	SLES	1	8.63702	6.23549	-24.9405	HAL2	10698	0	0	0	0.09	
-10701	C8	SLES	1	8.1529	6.96796	-22.9428	CTL2	10698	10702	10703	10704	-0.18	
-10702	H81	SLES	1	8.24483	7.92625	-22.3819	HAL2	10701	0	0	0	0.09	
-10703	H82	SLES	1	7.07263	6.7928	-23.1501	HAL2	10701	0	0	0	0.09	
-10704	C9	SLES	1	8.69352	5.81279	-22.0633	CTL2	10701	10705	10706	10707	-0.18	
-10705	H91	SLES	1	9.78048	5.97315	-21.8812	HAL2	10704	0	0	0	0.09	
-10706	H92	SLES	1	8.57557	4.85208	-22.6134	HAL2	10704	0	0	0	0.09	
-10707	C10	SLES	1	7.9645	5.7081	-20.7028	CTL2	10704	10708	10709	10710	-0.18	
-10708	H10	SLES	1	8.10205	6.66081	-20.1422	HAL2	10707	0	0	0	0.09	
-10709	H10	SLES	1	6.8745	5.56991	-20.884	HAL2	10707	0	0	0	0.09	
-10710	C11	SLES	1	8.48758	4.5311	-19.8373	CTL2	10707	10711	10712	10713	-0.18	
-10711	H11	SLES	1	9.57651	4.6775	-19.6532	HAL2	10710	0	0	0	0.09	
-10712	H11	SLES	1	8.36447	3.58304	-20.4091	HAL2	10710	0	0	0	0.09	
-10713	C12	SLES	1	7.76468	4.38915	-18.4728	CTL3	10710	10714	10715	10716	-0.27	
-10714	H12	SLES	1	8.49375	4.48121	-17.6378	HAL3	10713	0	0	0	0.09	
-10715	H12	SLES	1	7.26656	3.39717	-18.4007	HAL3	10713	0	0	0	0.09	
-10716	H12	SLES	1	6.99357	5.18195	-18.359	HAL3	10713	0	0	0	0.09	
-10717	NA	SLES	1	17.1052	-1.21667	-40.7187	NA	0	0	0	0	1	
-10718	S	SLES	1	17.8272	1.88722	-38.9312	SL	10719	10720	10721	10722	1.33	
-10719	OS1	SLES	1	16.8697	0.650073	-38.3313	OSL	10718	10723	0	0	-0.28	
-10720	OS2	SLES	1	19.1212	1.30153	-39.214	O2L	10718	0	0	0	-0.65	
-10721	OS3	SLES	1	17.2022	2.31871	-40.164	O2L	10718	0	0	0	-0.65	
-10722	OS4	SLES	1	17.9819	3.01961	-38.0322	O2L	10718	0	0	0	-0.65	
-10723	C2	SLES	1	16.5385	0.901202	-36.9003	CC32A	10719	10724	10725	10726	-0.11	
-10724	H2A	SLES	1	17.4767	1.04248	-36.2945	HCA2	10723	0	0	0	0.09	
-10725	H2B	SLES	1	15.9189	1.83832	-36.8363	HCA2	10723	0	0	0	0.09	
-10726	C1	SLES	1	15.7048	-0.339086	-36.3238	CC32A	10723	10727	10728	10729	-0.01	
-10727	H1B	SLES	1	16.2808	-1.28229	-36.4668	HCA2	10726	0	0	0	0.09	
-10728	H1A	SLES	1	14.7328	-0.426465	-36.8629	HCA2	10726	0	0	0	0.09	
-10729	O1	SLES	1	15.3366	-0.385273	-34.8954	OC30A	10726	10730	0	0	-0.34	
-10730	C2	SLES	1	15.3923	0.863235	-34.1738	CC32A	10729	10731	10732	10733	-0.01	
-10731	H2A	SLES	1	16.4619	1.13352	-34.2733	HCA2	10730	0	0	0	0.09	
-10732	H2B	SLES	1	14.7896	1.54058	-34.8198	HCA2	10730	0	0	0	0.09	
-10733	C1	SLES	1	14.9506	1.02789	-32.6855	CC32A	10730	10734	10735	10736	-0.01	
-10734	H1B	SLES	1	15.8212	0.858998	-32.015	HCA2	10733	0	0	0	0.09	
-10735	H1A	SLES	1	14.5752	2.0587	-32.5272	HCA2	10733	0	0	0	0.09	
-10736	O1	SLES	1	13.9627	0.161586	-32.0402	OC30A	10733	10737	0	0	-0.34	
-10737	C1	SLES	1	13.1783	0.801299	-30.9681	CTL2	10736	10738	10739	10740	-0.18	
-10738	H11	SLES	1	13.6521	1.77666	-30.7552	HAL2	10737	0	0	0	0.09	
-10739	H12	SLES	1	12.2119	0.98016	-31.4834	HAL2	10737	0	0	0	0.09	
-10740	C2	SLES	1	12.9278	0.0267178	-29.6141	CTL2	10737	10741	10742	10743	-0.18	
-10741	H21	SLES	1	13.4523	-0.954181	-29.6528	HAL2	10740	0	0	0	0.09	
-10742	H22	SLES	1	11.8388	-0.171355	-29.5072	HAL2	10740	0	0	0	0.09	
-10743	C3	SLES	1	13.4424	0.845944	-28.3325	CTL2	10740	10744	10745	10746	-0.18	
-10744	H31	SLES	1	14.3986	0.400041	-27.9787	HAL2	10743	0	0	0	0.09	
-10745	H32	SLES	1	13.6459	1.8936	-28.6312	HAL2	10743	0	0	0	0.09	
-10746	C4	SLES	1	12.4014	0.844837	-27.1372	CTL2	10743	10747	10748	10749	-0.18	
-10747	H41	SLES	1	12.7331	0.112167	-26.3722	HAL2	10746	0	0	0	0.09	
-10748	H42	SLES	1	11.4097	0.517652	-27.5173	HAL2	10746	0	0	0	0.09	
-10749	C5	SLES	1	12.2476	2.27868	-26.4552	CTL2	10746	10750	10751	10752	-0.18	
-10750	H51	SLES	1	13.1236	2.90712	-26.7295	HAL2	10749	0	0	0	0.09	
-10751	H52	SLES	1	11.3329	2.77381	-26.854	HAL2	10749	0	0	0	0.09	
-10752	C6	SLES	1	12.1461	2.20371	-24.885	CTL2	10749	10753	10754	10755	-0.18	
-10753	H61	SLES	1	13.1441	1.93905	-24.4691	HAL2	10752	0	0	0	0.09	
-10754	H62	SLES	1	11.8662	3.20898	-24.4918	HAL2	10752	0	0	0	0.09	
-10755	C7	SLES	1	11.0964	1.15639	-24.3956	CTL2	10752	10756	10757	10758	-0.18	
-10756	H71	SLES	1	11.5548	0.143079	-24.4232	HAL2	10755	0	0	0	0.09	
-10757	H72	SLES	1	10.2276	1.15949	-25.091	HAL2	10755	0	0	0	0.09	
-10758	C8	SLES	1	10.5936	1.44209	-22.9585	CTL2	10755	10759	10760	10761	-0.18	
-10759	H81	SLES	1	11.4678	1.66377	-22.3042	HAL2	10758	0	0	0	0.09	
-10760	H82	SLES	1	9.93858	2.3428	-22.9745	HAL2	10758	0	0	0	0.09	
-10761	C9	SLES	1	9.80288	0.251499	-22.3606	CTL2	10758	10762	10763	10764	-0.18	
-10762	H91	SLES	1	10.4487	-0.655787	-22.3722	HAL2	10761	0	0	0	0.09	
-10763	H92	SLES	1	8.91411	0.0486619	-22.9997	HAL2	10761	0	0	0	0.09	
-10764	C10	SLES	1	9.33211	0.516568	-20.9109	CTL2	10761	10765	10766	10767	-0.18	
-10765	H10	SLES	1	10.2227	0.696477	-20.2665	HAL2	10764	0	0	0	0.09	
-10766	H10	SLES	1	8.70444	1.43625	-20.8948	HAL2	10764	0	0	0	0.09	
-10767	C11	SLES	1	8.51423	-0.665457	-20.3262	CTL2	10764	10768	10769	10770	-0.18	
-10768	H11	SLES	1	9.14856	-1.58121	-20.3381	HAL2	10767	0	0	0	0.09	
-10769	H11	SLES	1	7.63482	-0.8531	-20.9837	HAL2	10767	0	0	0	0.09	
-10770	C12	SLES	1	8.01332	-0.42337	-18.8788	CTL3	10767	10771	10772	10773	-0.27	
-10771	H12	SLES	1	8.41348	-1.20467	-18.1956	HAL3	10770	0	0	0	0.09	
-10772	H12	SLES	1	6.90203	-0.457198	-18.8436	HAL3	10770	0	0	0	0.09	
-10773	H12	SLES	1	8.3492	0.571836	-18.5143	HAL3	10770	0	0	0	0.09	
-10774	NA	SLES	1	12.5073	-8.68536	-41.4755	NA	0	0	0	0	1	
-10775	S	SLES	1	15.3067	-8.37718	-39.1477	SL	10776	10777	10778	10779	1.33	
-10776	OS1	SLES	1	13.7015	-8.12996	-38.7359	OSL	10775	10780	0	0	-0.28	
-10777	OS2	SLES	1	15.3917	-9.72605	-39.6681	O2L	10775	0	0	0	-0.65	
-10778	OS3	SLES	1	15.6046	-7.42503	-40.1971	O2L	10775	0	0	0	-0.65	
-10779	OS4	SLES	1	16.2435	-8.21061	-38.048	O2L	10775	0	0	0	-0.65	
-10780	C2	SLES	1	13.5643	-7.98147	-37.2596	CC32A	10776	10781	10782	10783	-0.11	
-10781	H2A	SLES	1	14.0058	-8.87029	-36.7283	HCA2	10780	0	0	0	0.09	
-10782	H2B	SLES	1	14.1174	-7.05479	-36.9409	HCA2	10780	0	0	0	0.09	
-10783	C1	SLES	1	12.0137	-7.84238	-36.8828	CC32A	10780	10784	10785	10786	-0.01	
-10784	H1B	SLES	1	11.4481	-8.71857	-37.2755	HCA2	10783	0	0	0	0.09	
-10785	H1A	SLES	1	11.5952	-6.91289	-37.3346	HCA2	10783	0	0	0	0.09	
-10786	O1	SLES	1	11.5967	-7.78167	-35.4685	OC30A	10783	10787	0	0	-0.34	
-10787	C2	SLES	1	12.6204	-7.44793	-34.5076	CC32A	10786	10788	10789	10790	-0.01	
-10788	H2A	SLES	1	13.3402	-8.27814	-34.6475	HCA2	10787	0	0	0	0.09	
-10789	H2B	SLES	1	13.0576	-6.51814	-34.9362	HCA2	10787	0	0	0	0.09	
-10790	C1	SLES	1	12.3497	-7.24577	-32.9834	CC32A	10787	10791	10792	10793	-0.01	
-10791	H1B	SLES	1	12.4767	-8.21207	-32.4484	HCA2	10790	0	0	0	0.09	
-10792	H1A	SLES	1	13.0779	-6.51605	-32.5761	HCA2	10790	0	0	0	0.09	
-10793	O1	SLES	1	11.0537	-6.82781	-32.4462	OC30A	10790	10794	0	0	-0.34	
-10794	C1	SLES	1	11.1188	-6.0516	-31.1943	CTL2	10793	10795	10796	10797	-0.18	
-10795	H11	SLES	1	12.1585	-6.11486	-30.8253	HAL2	10794	0	0	0	0.09	
-10796	H12	SLES	1	10.9356	-5.02265	-31.5671	HAL2	10794	0	0	0	0.09	
-10797	C2	SLES	1	10.1175	-6.38089	-30.0174	CTL2	10794	10798	10799	10800	-0.18	
-10798	H21	SLES	1	9.48038	-7.24471	-30.3117	HAL2	10797	0	0	0	0.09	
-10799	H22	SLES	1	9.45231	-5.50506	-29.8531	HAL2	10797	0	0	0	0.09	
-10800	C3	SLES	1	10.8748	-6.7317	-28.6455	CTL2	10797	10801	10802	10803	-0.18	
-10801	H31	SLES	1	10.8409	-7.83238	-28.4854	HAL2	10800	0	0	0	0.09	
-10802	H32	SLES	1	11.9386	-6.43366	-28.7336	HAL2	10800	0	0	0	0.09	
-10803	C4	SLES	1	10.2408	-6.00913	-27.3853	CTL2	10800	10804	10805	10806	-0.18	
-10804	H41	SLES	1	9.61876	-6.7396	-26.8271	HAL2	10803	0	0	0	0.09	
-10805	H42	SLES	1	9.57684	-5.18785	-27.7312	HAL2	10803	0	0	0	0.09	
-10806	C5	SLES	1	11.344	-5.40507	-26.404	CTL2	10803	10807	10808	10809	-0.18	
-10807	H51	SLES	1	12.324	-5.88488	-26.6201	HAL2	10806	0	0	0	0.09	
-10808	H52	SLES	1	11.4464	-4.31354	-26.6015	HAL2	10806	0	0	0	0.09	
-10809	C6	SLES	1	10.9959	-5.61983	-24.8828	CTL2	10806	10810	10811	10812	-0.18	
-10810	H61	SLES	1	11.1318	-6.69482	-24.6278	HAL2	10809	0	0	0	0.09	
-10811	H62	SLES	1	11.7075	-5.02733	-24.2614	HAL2	10809	0	0	0	0.09	
-10812	C7	SLES	1	9.53595	-5.19317	-24.5297	CTL2	10809	10813	10814	10815	-0.18	
-10813	H71	SLES	1	8.83964	-6.01299	-24.814	HAL2	10812	0	0	0	0.09	
-10814	H72	SLES	1	9.26634	-4.29188	-25.1241	HAL2	10812	0	0	0	0.09	
-10815	C8	SLES	1	9.35394	-4.87788	-23.024	CTL2	10812	10816	10817	10818	-0.18	
-10816	H81	SLES	1	9.83169	-5.68498	-22.4226	HAL2	10815	0	0	0	0.09	
-10817	H82	SLES	1	9.87146	-3.92033	-22.7876	HAL2	10815	0	0	0	0.09	
-10818	C9	SLES	1	7.86285	-4.76072	-22.62	CTL2	10815	10819	10820	10821	-0.18	
-10819	H91	SLES	1	7.33965	-5.70781	-22.8839	HAL2	10818	0	0	0	0.09	
-10820	H92	SLES	1	7.39317	-3.93549	-23.2013	HAL2	10818	0	0	0	0.09	
-10821	C10	SLES	1	7.67451	-4.48471	-21.1095	CTL2	10818	10822	10823	10824	-0.18	
-10822	H10	SLES	1	8.12382	-5.32187	-20.528	HAL2	10821	0	0	0	0.09	
-10823	H10	SLES	1	8.21592	-3.54956	-20.8404	HAL2	10821	0	0	0	0.09	
-10824	C11	SLES	1	6.18124	-4.33744	-20.714	CTL2	10821	10825	10826	10827	-0.18	
-10825	H11	SLES	1	5.64559	-5.27769	-20.9788	HAL2	10824	0	0	0	0.09	
-10826	H11	SLES	1	5.73191	-3.51115	-21.3109	HAL2	10824	0	0	0	0.09	
-10827	C12	SLES	1	5.95974	-4.04343	-19.2076	CTL3	10824	10828	10829	10830	-0.27	
-10828	H12	SLES	1	5.33664	-4.84078	-18.7458	HAL3	10827	0	0	0	0.09	
-10829	H12	SLES	1	5.44152	-3.06795	-19.0764	HAL3	10827	0	0	0	0.09	
-10830	H12	SLES	1	6.93422	-4.00158	-18.674	HAL3	10827	0	0	0	0.09	
-10831	NA	SLES	1	6.14172	-12.5911	-41.9026	NA	0	0	0	0	1	
-10832	S	SLES	1	6.96189	-15.1902	-39.469	SL	10833	10834	10835	10836	1.33	
-10833	OS1	SLES	1	6.48469	-13.6349	-39.0683	OSL	10832	10837	0	0	-0.28	
-10834	OS2	SLES	1	5.89767	-15.7484	-40.2773	O2L	10832	0	0	0	-0.65	
-10835	OS3	SLES	1	8.1632	-15.0505	-40.2652	O2L	10832	0	0	0	-0.65	
-10836	OS4	SLES	1	7.22214	-16.0535	-38.3281	O2L	10832	0	0	0	-0.65	
-10837	C2	SLES	1	6.23837	-13.532	-37.6024	CC32A	10833	10838	10839	10840	-0.11	
-10838	H2A	SLES	1	5.48902	-14.3037	-37.2705	HCA2	10837	0	0	0	0.09	
-10839	H2B	SLES	1	7.20969	-13.712	-37.0635	HCA2	10837	0	0	0	0.09	
-10840	C1	SLES	1	5.69247	-12.0659	-37.2583	CC32A	10837	10841	10842	10843	-0.01	
-10841	H1B	SLES	1	4.77821	-11.8514	-37.8582	HCA2	10840	0	0	0	0.09	
-10842	H1A	SLES	1	6.46944	-11.3046	-37.5028	HCA2	10840	0	0	0	0.09	
-10843	O1	SLES	1	5.27509	-11.7341	-35.8823	OC30A	10840	10844	0	0	-0.34	
-10844	C2	SLES	1	5.74926	-12.6072	-34.8357	CC32A	10843	10845	10846	10847	-0.01	
-10845	H2A	SLES	1	5.30696	-13.5778	-35.1342	HCA2	10844	0	0	0	0.09	
-10846	H2B	SLES	1	6.84539	-12.6383	-35.0277	HCA2	10844	0	0	0	0.09	
-10847	C1	SLES	1	5.48997	-12.3633	-33.3156	CC32A	10844	10848	10849	10850	-0.01	
-10848	H1B	SLES	1	4.55105	-12.8734	-33.0086	HCA2	10847	0	0	0	0.09	
-10849	H1A	SLES	1	6.33092	-12.7841	-32.7288	HCA2	10847	0	0	0	0.09	
-10850	O1	SLES	1	5.25544	-11.0365	-32.7435	OC30A	10847	10851	0	0	-0.34	
-10851	C1	SLES	1	5.69954	-10.8722	-31.3472	CTL2	10850	10852	10853	10854	-0.18	
-10852	H11	SLES	1	5.95449	-11.8776	-30.9658	HAL2	10851	0	0	0	0.09	
-10853	H12	SLES	1	6.63745	-10.2953	-31.4841	HAL2	10851	0	0	0	0.09	
-10854	C2	SLES	1	4.76317	-10.1339	-30.3107	CTL2	10851	10855	10856	10857	-0.18	
-10855	H21	SLES	1	3.81111	-9.85383	-30.8146	HAL2	10854	0	0	0	0.09	
-10856	H22	SLES	1	5.26171	-9.19785	-29.9762	HAL2	10854	0	0	0	0.09	
-10857	C3	SLES	1	4.43015	-11.0406	-29.028	CTL2	10854	10858	10859	10860	-0.18	
-10858	H31	SLES	1	3.3928	-11.4322	-29.1218	HAL2	10857	0	0	0	0.09	
-10859	H32	SLES	1	5.12034	-11.9075	-29.0092	HAL2	10857	0	0	0	0.09	
-10860	C4	SLES	1	4.55948	-10.2505	-27.66	CTL2	10857	10861	10862	10863	-0.18	
-10861	H41	SLES	1	3.54364	-9.98037	-27.3033	HAL2	10860	0	0	0	0.09	
-10862	H42	SLES	1	5.12275	-9.30851	-27.8345	HAL2	10860	0	0	0	0.09	
-10863	C5	SLES	1	5.3021	-11.0965	-26.5297	CTL2	10860	10864	10865	10866	-0.18	
-10864	H51	SLES	1	5.29014	-12.1718	-26.8143	HAL2	10863	0	0	0	0.09	
-10865	H52	SLES	1	6.36549	-10.7697	-26.4719	HAL2	10863	0	0	0	0.09	
-10866	C6	SLES	1	4.63957	-10.9378	-25.1094	CTL2	10863	10867	10868	10869	-0.18	
-10867	H61	SLES	1	3.66852	-11.4819	-25.0992	HAL2	10866	0	0	0	0.09	
-10868	H62	SLES	1	5.30343	-11.4065	-24.3458	HAL2	10866	0	0	0	0.09	
-10869	C7	SLES	1	4.39164	-9.44605	-24.7203	CTL2	10866	10870	10871	10872	-0.18	
-10870	H71	SLES	1	3.45446	-9.09528	-25.2066	HAL2	10869	0	0	0	0.09	
-10871	H72	SLES	1	5.23132	-8.82525	-25.1049	HAL2	10869	0	0	0	0.09	
-10872	C8	SLES	1	4.27169	-9.24057	-23.1897	CTL2	10869	10873	10874	10875	-0.18	
-10873	H81	SLES	1	3.5939	-10.0188	-22.7697	HAL2	10872	0	0	0	0.09	
-10874	H82	SLES	1	5.27554	-9.37155	-22.7252	HAL2	10872	0	0	0	0.09	
-10875	C9	SLES	1	3.72258	-7.83929	-22.822	CTL2	10872	10876	10877	10878	-0.18	
-10876	H91	SLES	1	2.73208	-7.69763	-23.311	HAL2	10875	0	0	0	0.09	
-10877	H92	SLES	1	4.41524	-7.06279	-23.2179	HAL2	10875	0	0	0	0.09	
-10878	C10	SLES	1	3.56385	-7.643	-21.2956	CTL2	10875	10879	10880	10881	-0.18	
-10879	H10	SLES	1	2.85273	-8.40516	-20.903	HAL2	10878	0	0	0	0.09	
-10880	H10	SLES	1	4.54937	-7.80628	-20.8036	HAL2	10878	0	0	0	0.09	
-10881	C11	SLES	1	3.04287	-6.22791	-20.9295	CTL2	10878	10882	10883	10884	-0.18	
-10882	H11	SLES	1	2.05401	-6.0721	-21.4184	HAL2	10881	0	0	0	0.09	
-10883	H11	SLES	1	3.74765	-5.46898	-21.3397	HAL2	10881	0	0	0	0.09	
-10884	C12	SLES	1	2.88869	-5.99394	-19.4044	CTL3	10881	10885	10886	10887	-0.27	
-10885	H12	SLES	1	1.83377	-5.74282	-19.1566	HAL3	10884	0	0	0	0.09	
-10886	H12	SLES	1	3.53976	-5.15457	-19.0743	HAL3	10884	0	0	0	0.09	
-10887	H12	SLES	1	3.17684	-6.90834	-18.8414	HAL3	10884	0	0	0	0.09	
-10888	NA	SLES	1	-1.06844	-13.7558	-41.9728	NA	0	0	0	0	1	
-10889	S	SLES	1	-3.72319	-15.1833	-39.9076	SL	10890	10891	10892	10893	1.33	
-10890	OS1	SLES	1	-2.51457	-14.1755	-39.3323	OSL	10889	10894	0	0	-0.28	
-10891	OS2	SLES	1	-4.40711	-14.4467	-40.9503	O2L	10889	0	0	0	-0.65	
-10892	OS3	SLES	1	-3.05193	-16.3332	-40.4766	O2L	10889	0	0	0	-0.65	
-10893	OS4	SLES	1	-4.67752	-15.6162	-38.8995	O2L	10889	0	0	0	-0.65	
-10894	C2	SLES	1	-2.79994	-13.7787	-37.9247	CC32A	10890	10895	10896	10897	-0.11	
-10895	H2A	SLES	1	-3.81887	-13.3071	-37.8438	HCA2	10894	0	0	0	0.09	
-10896	H2B	SLES	1	-2.77344	-14.7014	-37.2811	HCA2	10894	0	0	0	0.09	
-10897	C1	SLES	1	-1.68388	-12.7417	-37.4298	CC32A	10894	10898	10899	10900	-0.01	
-10898	H1B	SLES	1	-1.64785	-11.8663	-38.1184	HCA2	10897	0	0	0	0.09	
-10899	H1A	SLES	1	-0.683926	-13.2348	-37.423	HCA2	10897	0	0	0	0.09	
-10900	O1	SLES	1	-1.79213	-12.1154	-36.0979	OC30A	10897	10901	0	0	-0.34	
-10901	C2	SLES	1	-2.66904	-12.7606	-35.1506	CC32A	10900	10902	10903	10904	-0.01	
-10902	H2A	SLES	1	-3.64546	-12.7003	-35.67	HCA2	10901	0	0	0	0.09	
-10903	H2B	SLES	1	-2.31413	-13.8155	-35.1753	HCA2	10901	0	0	0	0.09	
-10904	C1	SLES	1	-2.83895	-12.2992	-33.6689	CC32A	10901	10905	10906	10907	-0.01	
-10905	H1B	SLES	1	-3.66984	-11.5639	-33.5978	HCA2	10904	0	0	0	0.09	
-10906	H1A	SLES	1	-3.08643	-13.1766	-33.0385	HCA2	10904	0	0	0	0.09	
-10907	O1	SLES	1	-1.80141	-11.5805	-32.9273	OC30A	10904	10908	0	0	-0.34	
-10908	C1	SLES	1	-1.79885	-11.8162	-31.4718	CTL2	10907	10909	10910	10911	-0.18	
-10909	H11	SLES	1	-2.72939	-12.3602	-31.2281	HAL2	10908	0	0	0	0.09	
-10910	H12	SLES	1	-0.941558	-12.5128	-31.3662	HAL2	10908	0	0	0	0.09	
-10911	C2	SLES	1	-1.62299	-10.5969	-30.4827	CTL2	10908	10912	10913	10914	-0.18	
-10912	H21	SLES	1	-1.55796	-9.65533	-31.0727	HAL2	10911	0	0	0	0.09	
-10913	H22	SLES	1	-0.668396	-10.7183	-29.9254	HAL2	10911	0	0	0	0.09	
-10914	C3	SLES	1	-2.83317	-10.4758	-29.4342	CTL2	10911	10915	10916	10917	-0.18	
-10915	H31	SLES	1	-3.50219	-9.64421	-29.7491	HAL2	10914	0	0	0	0.09	
-10916	H32	SLES	1	-3.42377	-11.4133	-29.4543	HAL2	10914	0	0	0	0.09	
-10917	C4	SLES	1	-2.34354	-10.2079	-27.9507	CTL2	10914	10918	10919	10920	-0.18	
-10918	H41	SLES	1	-2.48584	-9.13291	-27.7136	HAL2	10917	0	0	0	0.09	
-10919	H42	SLES	1	-1.25778	-10.4336	-27.8784	HAL2	10917	0	0	0	0.09	
-10920	C5	SLES	1	-3.12838	-11.088	-26.8764	CTL2	10917	10921	10922	10923	-0.18	
-10921	H51	SLES	1	-4.06971	-11.4651	-27.3338	HAL2	10920	0	0	0	0.09	
-10922	H52	SLES	1	-2.50379	-11.9691	-26.6034	HAL2	10920	0	0	0	0.09	
-10923	C6	SLES	1	-3.48319	-10.2864	-25.5676	CTL2	10920	10924	10925	10926	-0.18	
-10924	H61	SLES	1	-4.2942	-9.55909	-25.7962	HAL2	10923	0	0	0	0.09	
-10925	H62	SLES	1	-3.8672	-10.9983	-24.8	HAL2	10923	0	0	0	0.09	
-10926	C7	SLES	1	-2.25915	-9.516	-24.979	CTL2	10923	10927	10928	10929	-0.18	
-10927	H71	SLES	1	-2.12757	-8.56297	-25.5378	HAL2	10926	0	0	0	0.09	
-10928	H72	SLES	1	-1.34078	-10.1279	-25.1224	HAL2	10926	0	0	0	0.09	
-10929	C8	SLES	1	-2.42314	-9.19719	-23.472	CTL2	10926	10930	10931	10932	-0.18	
-10930	H81	SLES	1	-3.44391	-8.78696	-23.2956	HAL2	10929	0	0	0	0.09	
-10931	H82	SLES	1	-2.32563	-10.1405	-22.8878	HAL2	10929	0	0	0	0.09	
-10932	C9	SLES	1	-1.37306	-8.17695	-22.9653	CTL2	10929	10933	10934	10935	-0.18	
-10933	H91	SLES	1	-1.45141	-7.24476	-23.5697	HAL2	10932	0	0	0	0.09	
-10934	H92	SLES	1	-0.354206	-8.59955	-23.1165	HAL2	10932	0	0	0	0.09	
-10935	C10	SLES	1	-1.55686	-7.8253	-21.47	CTL2	10932	10936	10937	10938	-0.18	
-10936	H10	SLES	1	-2.56754	-7.38085	-21.3225	HAL2	10935	0	0	0	0.09	
-10937	H10	SLES	1	-1.50072	-8.75984	-20.8671	HAL2	10935	0	0	0	0.09	
-10938	C11	SLES	1	-0.484824	-6.8269	-20.9582	CTL2	10935	10939	10940	10941	-0.18	
-10939	H11	SLES	1	-0.549591	-5.89145	-21.5598	HAL2	10938	0	0	0	0.09	
-10940	H11	SLES	1	0.524501	-7.26806	-21.1243	HAL2	10938	0	0	0	0.09	
-10941	C12	SLES	1	-0.632029	-6.4669	-19.4572	CTL3	10938	10942	10943	10944	-0.27	
-10942	H12	SLES	1	-0.781655	-5.37141	-19.3353	HAL3	10941	0	0	0	0.09	
-10943	H12	SLES	1	0.281796	-6.76429	-18.8969	HAL3	10941	0	0	0	0.09	
-10944	H12	SLES	1	-1.50545	-6.99499	-19.0163	HAL3	10941	0	0	0	0.09	
-10945	NA	SLES	1	-9.17726	-10.9894	-41.7983	NA	0	0	0	0	1	
-10946	S	SLES	1	-11.4395	-8.46834	-40.4282	SL	10947	10948	10949	10950	1.33	
-10947	OS1	SLES	1	-10.2215	-9.22056	-39.5575	OSL	10946	10951	0	0	-0.28	
-10948	OS2	SLES	1	-10.7985	-7.82963	-41.5589	O2L	10946	0	0	0	-0.65	
-10949	OS3	SLES	1	-12.3152	-9.52459	-40.8908	O2L	10946	0	0	0	-0.65	
-10950	OS4	SLES	1	-12.203	-7.488	-39.6729	O2L	10946	0	0	0	-0.65	
-10951	C2	SLES	1	-10.0577	-8.56687	-38.2286	CC32A	10947	10952	10953	10954	-0.11	
-10952	H2A	SLES	1	-9.87254	-7.46307	-38.3491	HCA2	10951	0	0	0	0.09	
-10953	H2B	SLES	1	-11.0043	-8.71522	-37.6384	HCA2	10951	0	0	0	0.09	
-10954	C1	SLES	1	-8.82693	-9.2398	-37.4551	CC32A	10951	10955	10956	10957	-0.01	
-10955	H1B	SLES	1	-7.90523	-9.17205	-38.0777	HCA2	10954	0	0	0	0.09	
-10956	H1A	SLES	1	-9.04664	-10.3143	-37.2543	HCA2	10954	0	0	0	0.09	
-10957	O1	SLES	1	-8.38949	-8.70569	-36.1508	OC30A	10954	10958	0	0	-0.34	
-10958	C2	SLES	1	-9.331	-7.86782	-35.4478	CC32A	10957	10959	10960	10961	-0.01	
-10959	H2A	SLES	1	-9.46866	-7.0338	-36.1636	HCA2	10958	0	0	0	0.09	
-10960	H2B	SLES	1	-10.2521	-8.49306	-35.4442	HCA2	10958	0	0	0	0.09	
-10961	C1	SLES	1	-9.08326	-7.29081	-34.0185	CC32A	10958	10962	10963	10964	-0.01	
-10962	H1B	SLES	1	-8.59565	-6.29463	-34.0954	HCA2	10961	0	0	0	0.09	
-10963	H1A	SLES	1	-10.0549	-7.17136	-33.4987	HCA2	10961	0	0	0	0.09	
-10964	O1	SLES	1	-8.20399	-7.92749	-33.0365	OC30A	10961	10965	0	0	-0.34	
-10965	C1	SLES	1	-8.57977	-7.70713	-31.6279	CTL2	10964	10966	10967	10968	-0.18	
-10966	H11	SLES	1	-9.3652	-6.92984	-31.6178	HAL2	10965	0	0	0	0.09	
-10967	H12	SLES	1	-9.04161	-8.6829	-31.3712	HAL2	10965	0	0	0	0.09	
-10968	C2	SLES	1	-7.46439	-7.34743	-30.5683	CTL2	10965	10969	10970	10971	-0.18	
-10969	H21	SLES	1	-6.48187	-7.26965	-31.0854	HAL2	10968	0	0	0	0.09	
-10970	H22	SLES	1	-7.39498	-8.17	-29.8232	HAL2	10968	0	0	0	0.09	
-10971	C3	SLES	1	-7.76464	-5.96789	-29.8033	CTL2	10968	10972	10973	10974	-0.18	
-10972	H31	SLES	1	-7.10341	-5.17413	-30.2168	HAL2	10971	0	0	0	0.09	
-10973	H32	SLES	1	-8.81463	-5.66956	-29.995	HAL2	10971	0	0	0	0.09	
-10974	C4	SLES	1	-7.5349	-6.06441	-28.238	CTL2	10971	10975	10976	10977	-0.18	
-10975	H41	SLES	1	-6.56207	-5.5922	-27.9875	HAL2	10974	0	0	0	0.09	
-10976	H42	SLES	1	-7.48233	-7.13434	-27.9422	HAL2	10974	0	0	0	0.09	
-10977	C5	SLES	1	-8.69187	-5.35195	-27.4022	CTL2	10974	10978	10979	10980	-0.18	
-10978	H51	SLES	1	-9.24742	-4.65735	-28.0703	HAL2	10977	0	0	0	0.09	
-10979	H52	SLES	1	-9.4077	-6.12552	-27.0415	HAL2	10977	0	0	0	0.09	
-10980	C6	SLES	1	-8.14644	-4.54257	-26.1657	CTL2	10977	10981	10982	10983	-0.18	
-10981	H61	SLES	1	-7.63052	-3.62629	-26.5309	HAL2	10980	0	0	0	0.09	
-10982	H62	SLES	1	-9.00779	-4.22254	-25.534	HAL2	10980	0	0	0	0.09	
-10983	C7	SLES	1	-7.15402	-5.37105	-25.29	CTL2	10980	10984	10985	10986	-0.18	
-10984	H71	SLES	1	-6.14669	-5.3467	-25.7616	HAL2	10983	0	0	0	0.09	
-10985	H72	SLES	1	-7.49325	-6.43043	-25.2588	HAL2	10983	0	0	0	0.09	
-10986	C8	SLES	1	-7.04448	-4.83329	-23.8414	CTL2	10983	10987	10988	10989	-0.18	
-10987	H81	SLES	1	-6.92865	-3.72557	-23.8719	HAL2	10986	0	0	0	0.09	
-10988	H82	SLES	1	-7.98664	-5.06584	-23.2947	HAL2	10986	0	0	0	0.09	
-10989	C9	SLES	1	-5.84786	-5.44627	-23.0715	CTL2	10986	10990	10991	10992	-0.18	
-10990	H91	SLES	1	-4.90942	-5.23876	-23.6342	HAL2	10989	0	0	0	0.09	
-10991	H92	SLES	1	-5.97868	-6.55056	-23.0172	HAL2	10989	0	0	0	0.09	
-10992	C10	SLES	1	-5.71058	-4.88326	-21.6371	CTL2	10989	10993	10994	10995	-0.18	
-10993	H10	SLES	1	-5.55631	-3.78147	-21.6921	HAL2	10992	0	0	0	0.09	
-10994	H10	SLES	1	-6.65681	-5.07076	-21.0807	HAL2	10992	0	0	0	0.09	
-10995	C11	SLES	1	-4.52989	-5.52185	-20.8585	CTL2	10992	10996	10997	10998	-0.18	
-10996	H11	SLES	1	-3.58514	-5.3257	-21.4154	HAL2	10995	0	0	0	0.09	
-10997	H11	SLES	1	-4.67944	-6.62512	-20.8218	HAL2	10995	0	0	0	0.09	
-10998	C12	SLES	1	-4.37585	-4.98991	-19.4101	CTL3	10995	10999	11000	11001	-0.27	
-10999	H12	SLES	1	-3.37334	-4.52794	-19.2726	HAL3	10998	0	0	0	0.09	
-11000	H12	SLES	1	-4.4863	-5.82119	-18.6793	HAL3	10998	0	0	0	0.09	
-11001	H12	SLES	1	-5.15177	-4.22331	-19.1947	HAL3	10998	0	0	0	0.09	
-11002	NA	SLES	1	-14.7156	-2.03043	-41.6102	NA	0	0	0	0	1	
-11003	S	SLES	1	-12.6137	0.885061	-40.9527	SL	11004	11005	11006	11007	1.33	
-11004	OS1	SLES	1	-13.0691	-0.234686	-39.7925	OSL	11003	11008	0	0	-0.28	
-11005	OS2	SLES	1	-11.9223	0.143375	-41.9868	O2L	11003	0	0	0	-0.65	
-11006	OS3	SLES	1	-13.8423	1.439	-41.482	O2L	11003	0	0	0	-0.65	
-11007	OS4	SLES	1	-11.7622	1.95439	-40.4567	O2L	11003	0	0	0	-0.65	
-11008	C2	SLES	1	-12.328	0.00727467	-38.5226	CC32A	11004	11009	11010	11011	-0.11	
-11009	H2A	SLES	1	-11.217	0.00137295	-38.7039	HCA2	11008	0	0	0	0.09	
-11010	H2B	SLES	1	-12.6263	1.01541	-38.1215	HCA2	11008	0	0	0	0.09	
-11011	C1	SLES	1	-12.7083	-1.13118	-37.4619	CC32A	11008	11012	11013	11014	-0.01	
-11012	H1B	SLES	1	-12.4954	-2.13674	-37.8924	HCA2	11011	0	0	0	0.09	
-11013	H1A	SLES	1	-13.7931	-1.06976	-37.2118	HCA2	11011	0	0	0	0.09	
-11014	O1	SLES	1	-12.0325	-1.17871	-36.1508	OC30A	11011	11015	0	0	-0.34	
-11015	C2	SLES	1	-11.3578	0.025039	-35.7284	CC32A	11014	11016	11017	11018	-0.01	
-11016	H2A	SLES	1	-10.6047	0.154501	-36.5302	HCA2	11015	0	0	0	0.09	
-11017	H2B	SLES	1	-12.1488	0.79876	-35.851	HCA2	11015	0	0	0	0.09	
-11018	C1	SLES	1	-10.6703	0.193972	-34.337	CC32A	11015	11019	11020	11021	-0.01	
-11019	H1B	SLES	1	-9.60383	-0.112491	-34.4058	HCA2	11018	0	0	0	0.09	
-11020	H1A	SLES	1	-10.7148	1.25919	-34.0338	HCA2	11018	0	0	0	0.09	
-11021	O1	SLES	1	-11.0725	-0.556027	-33.1459	OC30A	11018	11022	0	0	-0.34	
-11022	C1	SLES	1	-10.8564	0.143654	-31.8662	CTL2	11021	11023	11024	11025	-0.18	
-11023	H11	SLES	1	-10.2468	1.03943	-32.0833	HAL2	11022	0	0	0	0.09	
-11024	H12	SLES	1	-11.8885	0.467185	-31.6187	HAL2	11022	0	0	0	0.09	
-11025	C2	SLES	1	-10.2326	-0.638354	-30.6432	CTL2	11022	11026	11027	11028	-0.18	
-11026	H21	SLES	1	-9.99267	-1.67814	-30.9596	HAL2	11025	0	0	0	0.09	
-11027	H22	SLES	1	-10.9863	-0.69397	-29.8275	HAL2	11025	0	0	0	0.09	
-11028	C3	SLES	1	-8.89973	0.0594998	-30.0821	CTL2	11025	11029	11030	11031	-0.18	
-11029	H31	SLES	1	-8.01532	-0.521482	-30.4265	HAL2	11028	0	0	0	0.09	
-11030	H32	SLES	1	-8.82112	1.08084	-30.5051	HAL2	11028	0	0	0	0.09	
-11031	C4	SLES	1	-8.86846	0.154062	-28.5002	CTL2	11028	11032	11033	11034	-0.18	
-11032	H41	SLES	1	-8.20414	-0.642749	-28.1054	HAL2	11031	0	0	0	0.09	
-11033	H42	SLES	1	-9.89103	-0.0250876	-28.1037	HAL2	11031	0	0	0	0.09	
-11034	C5	SLES	1	-8.35157	1.57057	-27.9796	CTL2	11031	11035	11036	11037	-0.18	
-11035	H51	SLES	1	-7.81358	2.08666	-28.8052	HAL2	11034	0	0	0	0.09	
-11036	H52	SLES	1	-9.22953	2.19641	-27.6995	HAL2	11034	0	0	0	0.09	
-11037	C6	SLES	1	-7.38868	1.45415	-26.7383	CTL2	11034	11038	11039	11040	-0.18	
-11038	H61	SLES	1	-6.40994	1.04495	-27.0755	HAL2	11037	0	0	0	0.09	
-11039	H62	SLES	1	-7.20948	2.47309	-26.3223	HAL2	11037	0	0	0	0.09	
-11040	C7	SLES	1	-7.9623	0.538559	-25.611	CTL2	11037	11041	11042	11043	-0.18	
-11041	H71	SLES	1	-7.76751	-0.524965	-25.8731	HAL2	11040	0	0	0	0.09	
-11042	H72	SLES	1	-9.06429	0.681438	-25.5515	HAL2	11040	0	0	0	0.09	
-11043	C8	SLES	1	-7.33905	0.837306	-24.2247	CTL2	11040	11044	11045	11046	-0.18	
-11044	H81	SLES	1	-6.233	0.917817	-24.3323	HAL2	11043	0	0	0	0.09	
-11045	H82	SLES	1	-7.72126	1.8169	-23.8573	HAL2	11043	0	0	0	0.09	
-11046	C9	SLES	1	-7.66744	-0.258374	-23.1797	CTL2	11043	11047	11048	11049	-0.18	
-11047	H91	SLES	1	-7.31131	-1.24228	-23.5611	HAL2	11046	0	0	0	0.09	
-11048	H92	SLES	1	-8.77179	-0.318827	-23.0522	HAL2	11046	0	0	0	0.09	
-11049	C10	SLES	1	-7.0148	0.0152456	-21.804	CTL2	11046	11050	11051	11052	-0.18	
-11050	H10	SLES	1	-5.90838	0.0525571	-21.9273	HAL2	11049	0	0	0	0.09	
-11051	H10	SLES	1	-7.35316	1.00887	-21.4321	HAL2	11049	0	0	0	0.09	
-11052	C11	SLES	1	-7.37091	-1.06788	-20.7514	CTL2	11049	11053	11054	11055	-0.18	
-11053	H11	SLES	1	-7.02439	-2.05864	-21.1248	HAL2	11052	0	0	0	0.09	
-11054	H11	SLES	1	-8.47882	-1.11387	-20.6447	HAL2	11052	0	0	0	0.09	
-11055	C12	SLES	1	-6.74474	-0.812951	-19.3558	CTL3	11052	11056	11057	11058	-0.27	
-11056	H12	SLES	1	-6.09056	-1.66411	-19.0644	HAL3	11055	0	0	0	0.09	
-11057	H12	SLES	1	-7.54257	-0.700378	-18.5889	HAL3	11055	0	0	0	0.09	
-11058	H12	SLES	1	-6.1331	0.115399	-19.3697	HAL3	11055	0	0	0	0.09	
-11059	NA	SLES	1	-11.0366	9.66726	-41.6752	NA	0	0	0	0	1	
-11060	S	SLES	1	-7.85445	7.89466	-41.3883	SL	11061	11062	11063	11064	1.33	
-11061	OS1	SLES	1	-8.78413	8.38802	-40.0846	OSL	11060	11065	0	0	-0.28	
-11062	OS2	SLES	1	-8.69896	7.0327	-42.1892	O2L	11060	0	0	0	-0.65	
-11063	OS3	SLES	1	-7.53208	9.09542	-42.1305	O2L	11060	0	0	0	-0.65	
-11064	OS4	SLES	1	-6.63286	7.19379	-41.0265	O2L	11060	0	0	0	-0.65	
-11065	C2	SLES	1	-8.24199	7.81823	-38.819	CC32A	11061	11066	11067	11068	-0.11	
-11066	H2A	SLES	1	-8.16947	6.69696	-38.8874	HCA2	11065	0	0	0	0.09	
-11067	H2B	SLES	1	-7.21272	8.24023	-38.6494	HCA2	11065	0	0	0	0.09	
-11068	C1	SLES	1	-9.20057	8.22438	-37.6016	CC32A	11065	11069	11070	11071	-0.01	
-11069	H1B	SLES	1	-10.2412	7.88388	-37.8087	HCA2	11068	0	0	0	0.09	
-11070	H1A	SLES	1	-9.20363	9.33204	-37.4742	HCA2	11068	0	0	0	0.09	
-11071	O1	SLES	1	-8.94064	7.70078	-36.2466	OC30A	11068	11072	0	0	-0.34	
-11072	C2	SLES	1	-7.61867	7.17741	-35.9994	CC32A	11071	11073	11074	11075	-0.01	
-11073	H2A	SLES	1	-7.56255	6.35062	-36.7344	HCA2	11072	0	0	0	0.09	
-11074	H2B	SLES	1	-6.96341	8.00879	-36.3441	HCA2	11072	0	0	0	0.09	
-11075	C1	SLES	1	-7.1312	6.66873	-34.6063	CC32A	11072	11076	11077	11078	-0.01	
-11076	H1B	SLES	1	-7.33665	5.58023	-34.5115	HCA2	11075	0	0	0	0.09	
-11077	H1A	SLES	1	-6.03848	6.83279	-34.5187	HCA2	11075	0	0	0	0.09	
-11078	O1	SLES	1	-7.68825	7.14253	-33.3382	OC30A	11075	11079	0	0	-0.34	
-11079	C1	SLES	1	-6.74919	7.13052	-32.2015	CTL2	11078	11080	11081	11082	-0.18	
-11080	H11	SLES	1	-5.85144	6.57397	-32.5263	HAL2	11079	0	0	0	0.09	
-11081	H12	SLES	1	-6.49108	8.20676	-32.1218	HAL2	11079	0	0	0	0.09	
-11082	C2	SLES	1	-7.22896	6.58948	-30.7968	CTL2	11079	11083	11084	11085	-0.18	
-11083	H21	SLES	1	-8.27961	6.23241	-30.8832	HAL2	11082	0	0	0	0.09	
-11084	H22	SLES	1	-7.21035	7.4243	-30.0624	HAL2	11082	0	0	0	0.09	
-11085	C3	SLES	1	-6.31064	5.38952	-30.2535	CTL2	11082	11086	11087	11088	-0.18	
-11086	H31	SLES	1	-6.85302	4.4279	-30.3927	HAL2	11085	0	0	0	0.09	
-11087	H32	SLES	1	-5.38073	5.3454	-30.8547	HAL2	11085	0	0	0	0.09	
-11088	C4	SLES	1	-5.92699	5.54641	-28.7236	CTL2	11085	11089	11090	11091	-0.18	
-11089	H41	SLES	1	-6.56795	4.86965	-28.1209	HAL2	11088	0	0	0	0.09	
-11090	H42	SLES	1	-6.13247	6.58982	-28.401	HAL2	11088	0	0	0	0.09	
-11091	C5	SLES	1	-4.39482	5.20753	-28.4366	CTL2	11088	11092	11093	11094	-0.18	
-11092	H51	SLES	1	-3.98642	4.62209	-29.2898	HAL2	11091	0	0	0	0.09	
-11093	H52	SLES	1	-3.8196	6.15904	-28.368	HAL2	11091	0	0	0	0.09	
-11094	C6	SLES	1	-4.18623	4.38615	-27.1087	CTL2	11091	11095	11096	11097	-0.18	
-11095	H61	SLES	1	-4.54982	3.34571	-27.2648	HAL2	11094	0	0	0	0.09	
-11096	H62	SLES	1	-3.09583	4.33784	-26.8804	HAL2	11094	0	0	0	0.09	
-11097	C7	SLES	1	-4.93403	5.00919	-25.8877	CTL2	11094	11098	11099	11100	-0.18	
-11098	H71	SLES	1	-6.00256	4.70111	-25.921	HAL2	11097	0	0	0	0.09	
-11099	H72	SLES	1	-4.89386	6.11867	-25.9638	HAL2	11097	0	0	0	0.09	
-11100	C8	SLES	1	-4.32696	4.57397	-24.5306	CTL2	11097	11101	11102	11103	-0.18	
-11101	H81	SLES	1	-4.15699	3.47291	-24.5441	HAL2	11100	0	0	0	0.09	
-11102	H82	SLES	1	-3.34016	5.07289	-24.3967	HAL2	11100	0	0	0	0.09	
-11103	C9	SLES	1	-5.24135	4.93035	-23.3318	CTL2	11100	11104	11105	11106	-0.18	
-11104	H91	SLES	1	-6.23753	4.45531	-23.4812	HAL2	11103	0	0	0	0.09	
-11105	H92	SLES	1	-5.38792	6.0336	-23.3027	HAL2	11103	0	0	0	0.09	
-11106	C10	SLES	1	-4.65784	4.46281	-21.9775	CTL2	11103	11107	11108	11109	-0.18	
-11107	H10	SLES	1	-4.53295	3.35612	-21.9979	HAL2	11106	0	0	0	0.09	
-11108	H10	SLES	1	-3.65211	4.91995	-21.8376	HAL2	11106	0	0	0	0.09	
-11109	C11	SLES	1	-5.56135	4.84851	-20.7763	CTL2	11106	11110	11111	11112	-0.18	
-11110	H11	SLES	1	-6.56374	4.38334	-20.9174	HAL2	11109	0	0	0	0.09	
-11111	H11	SLES	1	-5.69792	5.95407	-20.7706	HAL2	11109	0	0	0	0.09	
-11112	C12	SLES	1	-4.99516	4.40793	-19.4015	CTL3	11109	11113	11114	11115	-0.27	
-11113	H12	SLES	1	-5.70913	3.72507	-18.8904	HAL3	11112	0	0	0	0.09	
-11114	H12	SLES	1	-4.82534	5.29441	-18.7514	HAL3	11112	0	0	0	0.09	
-11115	H12	SLES	1	-4.02832	3.87515	-19.5338	HAL3	11112	0	0	0	0.09	
-11116	NA	SLES	1	1.47028	13.147	-42.1554	NA	0	0	0	0	1	
-11117	S	SLES	1	-0.333661	10.0061	-41.6747	SL	11118	11119	11120	11121	1.33	
-11118	OS1	SLES	1	0.450092	10.8441	-40.4537	OSL	11117	11122	0	0	-0.28	
-11119	OS2	SLES	1	-1.30527	10.9201	-42.2386	O2L	11117	0	0	0	-0.65	
-11120	OS3	SLES	1	0.678221	9.69271	-42.6618	O2L	11117	0	0	0	-0.65	
-11121	OS4	SLES	1	-0.995194	8.78639	-41.2399	O2L	11117	0	0	0	-0.65	
-11122	C2	SLES	1	0.126875	10.2463	-39.1276	CC32A	11118	11123	11124	11125	-0.11	
-11123	H2A	SLES	1	-0.987016	10.2103	-38.9691	HCA2	11122	0	0	0	0.09	
-11124	H2B	SLES	1	0.532888	9.19719	-39.1002	HCA2	11122	0	0	0	0.09	
-11125	C1	SLES	1	0.808987	11.1207	-37.9717	CC32A	11122	11126	11127	11128	-0.01	
-11126	H1B	SLES	1	0.475615	12.181	-38.0517	HCA2	11125	0	0	0	0.09	
-11127	H1A	SLES	1	1.91874	11.0844	-38.0731	HCA2	11125	0	0	0	0.09	
-11128	O1	SLES	1	0.560367	10.798	-36.5533	OC30A	11125	11129	0	0	-0.34	
-11129	C2	SLES	1	0.0452923	9.47956	-36.272	CC32A	11128	11130	11131	11132	-0.01	
-11130	H2A	SLES	1	-0.91466	9.49	-36.8245	HCA2	11129	0	0	0	0.09	
-11131	H2B	SLES	1	0.762815	8.82162	-36.812	HCA2	11129	0	0	0	0.09	
-11132	C1	SLES	1	-0.190132	8.92715	-34.8309	CC32A	11129	11133	11134	11135	-0.01	
-11133	H1B	SLES	1	-1.22782	9.15813	-34.5055	HCA2	11132	0	0	0	0.09	
-11134	H1A	SLES	1	-0.0556527	7.82692	-34.8343	HCA2	11132	0	0	0	0.09	
-11135	O1	SLES	1	0.552339	9.39594	-33.6597	OC30A	11132	11136	0	0	-0.34	
-11136	C1	SLES	1	0.732925	8.39338	-32.5937	CTL2	11135	11137	11138	11139	-0.18	
-11137	H11	SLES	1	0.0866783	7.53239	-32.8432	HAL2	11136	0	0	0	0.09	
-11138	H12	SLES	1	1.79182	8.10011	-32.7487	HAL2	11136	0	0	0	0.09	
-11139	C2	SLES	1	0.506929	8.80645	-31.0855	CTL2	11136	11140	11141	11142	-0.18	
-11140	H21	SLES	1	0.182153	9.87021	-31.0437	HAL2	11139	0	0	0	0.09	
-11141	H22	SLES	1	1.47163	8.72124	-30.539	HAL2	11139	0	0	0	0.09	
-11142	C3	SLES	1	-0.594099	7.89325	-30.356	CTL2	11139	11143	11144	11145	-0.18	
-11143	H31	SLES	1	-1.54149	8.47034	-30.2682	HAL2	11142	0	0	0	0.09	
-11144	H32	SLES	1	-0.796164	7.00138	-30.982	HAL2	11142	0	0	0	0.09	
-11145	C4	SLES	1	-0.146448	7.41731	-28.9119	CTL2	11142	11146	11147	11148	-0.18	
-11146	H41	SLES	1	-0.66104	8.04158	-28.1519	HAL2	11145	0	0	0	0.09	
-11147	H42	SLES	1	0.94804	7.57354	-28.7992	HAL2	11145	0	0	0	0.09	
-11148	C5	SLES	1	-0.481357	5.88152	-28.64	CTL2	11145	11149	11150	11151	-0.18	
-11149	H51	SLES	1	-1.24317	5.54028	-29.3753	HAL2	11148	0	0	0	0.09	
-11150	H52	SLES	1	0.440524	5.27606	-28.7965	HAL2	11148	0	0	0	0.09	
-11151	C6	SLES	1	-1.0248	5.62022	-27.1847	CTL2	11148	11152	11153	11154	-0.18	
-11152	H61	SLES	1	-2.05988	6.02213	-27.1063	HAL2	11151	0	0	0	0.09	
-11153	H62	SLES	1	-1.06955	4.52027	-27.007	HAL2	11151	0	0	0	0.09	
-11154	C7	SLES	1	-0.138164	6.27777	-26.0803	CTL2	11151	11155	11156	11157	-0.18	
-11155	H71	SLES	1	-0.403546	7.35488	-25.9956	HAL2	11154	0	0	0	0.09	
-11156	H72	SLES	1	0.930456	6.21004	-26.3833	HAL2	11154	0	0	0	0.09	
-11157	C8	SLES	1	-0.313804	5.60597	-24.6956	CTL2	11154	11158	11159	11160	-0.18	
-11158	H81	SLES	1	-1.40072	5.46894	-24.4925	HAL2	11157	0	0	0	0.09	
-11159	H82	SLES	1	0.161949	4.59907	-24.7167	HAL2	11157	0	0	0	0.09	
-11160	C9	SLES	1	0.31408	6.43875	-23.5499	CTL2	11157	11161	11162	11163	-0.18	
-11161	H91	SLES	1	-0.141055	7.45521	-23.5483	HAL2	11160	0	0	0	0.09	
-11162	H92	SLES	1	1.40539	6.55145	-23.7392	HAL2	11160	0	0	0	0.09	
-11163	C10	SLES	1	0.107213	5.79155	-22.16	CTL2	11160	11164	11165	11166	-0.18	
-11164	H10	SLES	1	-0.984826	5.70007	-21.9604	HAL2	11163	0	0	0	0.09	
-11165	H10	SLES	1	0.542535	4.76663	-22.1677	HAL2	11163	0	0	0	0.09	
-11166	C11	SLES	1	0.763837	6.61248	-21.0186	CTL2	11163	11167	11168	11169	-0.18	
-11167	H11	SLES	1	0.320262	7.63439	-21.0107	HAL2	11166	0	0	0	0.09	
-11168	H11	SLES	1	1.85224	6.7165	-21.2319	HAL2	11166	0	0	0	0.09	
-11169	C12	SLES	1	0.588167	5.98061	-19.6134	CTL3	11166	11170	11171	11172	-0.27	
-11170	H12	SLES	1	0.0520024	6.68322	-18.938	HAL3	11169	0	0	0	0.09	
-11171	H12	SLES	1	1.58031	5.74791	-19.1675	HAL3	11169	0	0	0	0.09	
-11172	H12	SLES	1	0.00134515	5.03885	-19.6831	HAL3	11169	0	0	0	0.09	
-11173	NA	SLES	1	9.43385	4.13755	-42.9647	NA	0	0	0	0	1	
-11174	S	SLES	1	6.7865	6.38816	-41.8348	SL	11175	11176	11177	11178	1.33	
-11175	OS1	SLES	1	7.52755	5.23762	-40.8681	OSL	11174	11179	0	0	-0.28	
-11176	OS2	SLES	1	7.84089	7.25459	-42.3196	O2L	11174	0	0	0	-0.65	
-11177	OS3	SLES	1	6.19605	5.66468	-42.9413	O2L	11174	0	0	0	-0.65	
-11178	OS4	SLES	1	5.7683	7.17699	-41.1599	O2L	11174	0	0	0	-0.65	
-11179	C2	SLES	1	7.10945	5.40957	-39.4482	CC32A	11175	11180	11181	11182	-0.11	
-11180	H2A	SLES	1	7.32029	6.45786	-39.0964	HCA2	11179	0	0	0	0.09	
-11181	H2B	SLES	1	6.00324	5.21649	-39.3758	HCA2	11179	0	0	0	0.09	
-11182	C1	SLES	1	7.90259	4.36231	-38.5317	CC32A	11179	11183	11184	11185	-0.01	
-11183	H1B	SLES	1	9.00058	4.49344	-38.6695	HCA2	11182	0	0	0	0.09	
-11184	H1A	SLES	1	7.62626	3.32104	-38.819	HCA2	11182	0	0	0	0.09	
-11185	O1	SLES	1	7.74372	4.39157	-37.0648	OC30A	11182	11186	0	0	-0.34	
-11186	C2	SLES	1	6.58733	5.08802	-36.5546	CC32A	11185	11187	11188	11189	-0.01	
-11187	H2A	SLES	1	6.75923	6.11571	-36.9303	HCA2	11186	0	0	0	0.09	
-11188	H2B	SLES	1	5.75555	4.62853	-37.1346	HCA2	11186	0	0	0	0.09	
-11189	C1	SLES	1	6.20341	5.14465	-35.0424	CC32A	11186	11190	11191	11192	-0.01	
-11190	H1B	SLES	1	6.67067	6.03594	-34.5699	HCA2	11189	0	0	0	0.09	
-11191	H1A	SLES	1	5.10226	5.22861	-34.9474	HCA2	11189	0	0	0	0.09	
-11192	O1	SLES	1	6.58958	4.11476	-34.0765	OC30A	11189	11193	0	0	-0.34	
-11193	C1	SLES	1	5.65192	3.93016	-32.9537	CTL2	11192	11194	11195	11196	-0.18	
-11194	H11	SLES	1	4.93035	4.7663	-32.9908	HAL2	11193	0	0	0	0.09	
-11195	H12	SLES	1	5.13189	2.99779	-33.2562	HAL2	11193	0	0	0	0.09	
-11196	C2	SLES	1	6.21213	3.77818	-31.4842	CTL2	11193	11197	11198	11199	-0.18	
-11197	H21	SLES	1	7.32057	3.87698	-31.5047	HAL2	11196	0	0	0	0.09	
-11198	H22	SLES	1	5.96591	2.76153	-31.1069	HAL2	11196	0	0	0	0.09	
-11199	C3	SLES	1	5.60675	4.87402	-30.4787	CTL2	11196	11200	11201	11202	-0.18	
-11200	H31	SLES	1	6.37511	5.65715	-30.2926	HAL2	11199	0	0	0	0.09	
-11201	H32	SLES	1	4.73415	5.36107	-30.9578	HAL2	11199	0	0	0	0.09	
-11202	C4	SLES	1	5.15385	4.25806	-29.0903	CTL2	11199	11203	11204	11205	-0.18	
-11203	H41	SLES	1	5.92614	4.48657	-28.3264	HAL2	11202	0	0	0	0.09	
-11204	H42	SLES	1	5.08407	3.15313	-29.1866	HAL2	11202	0	0	0	0.09	
-11205	C5	SLES	1	3.74693	4.82499	-28.5964	CTL2	11202	11206	11207	11208	-0.18	
-11206	H51	SLES	1	3.52096	5.76513	-29.1464	HAL2	11205	0	0	0	0.09	
-11207	H52	SLES	1	2.95127	4.08509	-28.8422	HAL2	11205	0	0	0	0.09	
-11208	C6	SLES	1	3.71265	5.11897	-27.0492	CTL2	11205	11209	11210	11211	-0.18	
-11209	H61	SLES	1	4.328	6.02214	-26.8378	HAL2	11208	0	0	0	0.09	
-11210	H62	SLES	1	2.66271	5.34056	-26.7459	HAL2	11208	0	0	0	0.09	
-11211	C7	SLES	1	4.24764	3.92671	-26.1944	CTL2	11208	11212	11213	11214	-0.18	
-11212	H71	SLES	1	5.35972	3.95756	-26.1847	HAL2	11211	0	0	0	0.09	
-11213	H72	SLES	1	3.93465	2.96979	-26.6684	HAL2	11211	0	0	0	0.09	
-11214	C8	SLES	1	3.73063	3.95972	-24.7346	CTL2	11211	11215	11216	11217	-0.18	
-11215	H81	SLES	1	3.84057	4.99301	-24.3326	HAL2	11214	0	0	0	0.09	
-11216	H82	SLES	1	2.64737	3.70068	-24.7263	HAL2	11214	0	0	0	0.09	
-11217	C9	SLES	1	4.49391	2.97462	-23.8141	CTL2	11214	11218	11219	11220	-0.18	
-11218	H91	SLES	1	5.58073	3.21572	-23.8461	HAL2	11217	0	0	0	0.09	
-11219	H92	SLES	1	4.36032	1.93917	-24.2007	HAL2	11217	0	0	0	0.09	
-11220	C10	SLES	1	4.00783	3.03193	-22.3465	CTL2	11217	11221	11222	11223	-0.18	
-11221	H10	SLES	1	4.163	4.062	-21.952	HAL2	11220	0	0	0	0.09	
-11222	H10	SLES	1	2.91648	2.8127	-22.316	HAL2	11220	0	0	0	0.09	
-11223	C11	SLES	1	4.75319	2.02228	-21.4338	CTL2	11220	11224	11225	11226	-0.18	
-11224	H11	SLES	1	5.84335	2.25	-21.4623	HAL2	11223	0	0	0	0.09	
-11225	H11	SLES	1	4.61002	0.995909	-21.8424	HAL2	11223	0	0	0	0.09	
-11226	C12	SLES	1	4.27661	2.04368	-19.9583	CTL3	11223	11227	11228	11229	-0.27	
-11227	H12	SLES	1	5.12365	2.29404	-19.2822	HAL3	11226	0	0	0	0.09	
-11228	H12	SLES	1	3.87349	1.04844	-19.6679	HAL3	11226	0	0	0	0.09	
-11229	H12	SLES	1	3.47691	2.80373	-19.8208	HAL3	11226	0	0	0	0.09	
-11230	NA	SLES	1	5.20754	-3.64274	-43.7229	NA	0	0	0	0	1	
-11231	S	SLES	1	8.20739	-2.47511	-41.9943	SL	11232	11233	11234	11235	1.33	
-11232	OS1	SLES	1	6.73651	-2.76579	-41.2464	OSL	11231	11236	0	0	-0.28	
-11233	OS2	SLES	1	8.59443	-3.7172	-42.6307	O2L	11231	0	0	0	-0.65	
-11234	OS3	SLES	1	7.95506	-1.46452	-43.0001	O2L	11231	0	0	0	-0.65	
-11235	OS4	SLES	1	9.26149	-2.02845	-41.0978	O2L	11231	0	0	0	-0.65	
-11236	C2	SLES	1	6.88609	-2.68849	-39.7659	CC32A	11232	11237	11238	11239	-0.11	
-11237	H2A	SLES	1	7.6886	-3.39335	-39.4105	HCA2	11236	0	0	0	0.09	
-11238	H2B	SLES	1	7.17686	-1.63683	-39.4907	HCA2	11236	0	0	0	0.09	
-11239	C1	SLES	1	5.49182	-3.06337	-39.0721	CC32A	11236	11240	11241	11242	-0.01	
-11240	H1B	SLES	1	5.15756	-4.07035	-39.4128	HCA2	11239	0	0	0	0.09	
-11241	H1A	SLES	1	4.71526	-2.31358	-39.3513	HCA2	11239	0	0	0	0.09	
-11242	O1	SLES	1	5.39684	-3.15883	-37.6025	OC30A	11239	11243	0	0	-0.34	
-11243	C2	SLES	1	6.44858	-2.52413	-36.8451	CC32A	11242	11244	11245	11246	-0.01	
-11244	H2A	SLES	1	7.3431	-3.07496	-37.1962	HCA2	11243	0	0	0	0.09	
-11245	H2B	SLES	1	6.46775	-1.49752	-37.2753	HCA2	11243	0	0	0	0.09	
-11246	C1	SLES	1	6.46845	-2.43984	-35.2864	CC32A	11243	11247	11248	11249	-0.01	
-11247	H1B	SLES	1	7.00532	-3.31983	-34.8699	HCA2	11246	0	0	0	0.09	
-11248	H1A	SLES	1	7.00203	-1.51905	-34.9765	HCA2	11246	0	0	0	0.09	
-11249	O1	SLES	1	5.25733	-2.47053	-34.4647	OC30A	11246	11250	0	0	-0.34	
-11250	C1	SLES	1	5.34825	-1.73103	-33.1924	CTL2	11249	11251	11252	11253	-0.18	
-11251	H11	SLES	1	6.40966	-1.45921	-33.0485	HAL2	11250	0	0	0	0.09	
-11252	H12	SLES	1	4.77526	-0.812025	-33.434	HAL2	11250	0	0	0	0.09	
-11253	C2	SLES	1	4.78338	-2.38151	-31.868	CTL2	11250	11254	11255	11256	-0.18	
-11254	H21	SLES	1	4.40059	-3.40118	-32.0972	HAL2	11253	0	0	0	0.09	
-11255	H22	SLES	1	3.9303	-1.77017	-31.5004	HAL2	11253	0	0	0	0.09	
-11256	C3	SLES	1	5.8931	-2.4859	-30.7121	CTL2	11253	11257	11258	11259	-0.18	
-11257	H31	SLES	1	6.2414	-3.54029	-30.6398	HAL2	11256	0	0	0	0.09	
-11258	H32	SLES	1	6.76368	-1.85863	-30.9893	HAL2	11256	0	0	0	0.09	
-11259	C4	SLES	1	5.35659	-2.02341	-29.2942	CTL2	11256	11260	11261	11262	-0.18	
-11260	H41	SLES	1	5.13246	-2.92289	-28.6836	HAL2	11259	0	0	0	0.09	
-11261	H42	SLES	1	4.41015	-1.45678	-29.4292	HAL2	11259	0	0	0	0.09	
-11262	C5	SLES	1	6.40163	-1.10748	-28.5108	CTL2	11259	11263	11264	11265	-0.18	
-11263	H51	SLES	1	7.41034	-1.24161	-28.9602	HAL2	11262	0	0	0	0.09	
-11264	H52	SLES	1	6.11137	-0.0390918	-28.6342	HAL2	11262	0	0	0	0.09	
-11265	C6	SLES	1	6.4799	-1.44266	-26.9736	CTL2	11262	11266	11267	11268	-0.18	
-11266	H61	SLES	1	6.99775	-2.41904	-26.8411	HAL2	11265	0	0	0	0.09	
-11267	H62	SLES	1	7.08791	-0.659778	-26.4628	HAL2	11265	0	0	0	0.09	
-11268	C7	SLES	1	5.07421	-1.51583	-26.2976	CTL2	11265	11269	11270	11271	-0.18	
-11269	H71	SLES	1	4.62518	-2.51314	-26.5013	HAL2	11268	0	0	0	0.09	
-11270	H72	SLES	1	4.41286	-0.74274	-26.7485	HAL2	11268	0	0	0	0.09	
-11271	C8	SLES	1	5.13658	-1.29558	-24.7656	CTL2	11268	11272	11273	11274	-0.18	
-11272	H81	SLES	1	5.96235	-1.9123	-24.3423	HAL2	11271	0	0	0	0.09	
-11273	H82	SLES	1	5.36679	-0.225189	-24.5609	HAL2	11271	0	0	0	0.09	
-11274	C9	SLES	1	3.8102	-1.67229	-24.0591	CTL2	11271	11275	11276	11277	-0.18	
-11275	H91	SLES	1	3.56547	-2.73427	-24.2885	HAL2	11274	0	0	0	0.09	
-11276	H92	SLES	1	2.99063	-1.03607	-24.4628	HAL2	11274	0	0	0	0.09	
-11277	C10	SLES	1	3.88009	-1.49133	-22.5242	CTL2	11274	11278	11279	11280	-0.18	
-11278	H10	SLES	1	4.68461	-2.14543	-22.1172	HAL2	11277	0	0	0	0.09	
-11279	H10	SLES	1	4.14653	-0.434814	-22.2944	HAL2	11277	0	0	0	0.09	
-11280	C11	SLES	1	2.54041	-1.84014	-21.8232	CTL2	11277	11281	11282	11283	-0.18	
-11281	H11	SLES	1	2.28182	-2.89967	-22.0504	HAL2	11280	0	0	0	0.09	
-11282	H11	SLES	1	1.73589	-1.19613	-22.2462	HAL2	11280	0	0	0	0.09	
-11283	C12	SLES	1	2.57309	-1.65282	-20.2842	CTL3	11280	11284	11285	11286	-0.27	
-11284	H12	SLES	1	2.34787	-2.61469	-19.7729	HAL3	11283	0	0	0	0.09	
-11285	H12	SLES	1	1.81745	-0.899218	-19.9704	HAL3	11283	0	0	0	0.09	
-11286	H12	SLES	1	3.57731	-1.30474	-19.9578	HAL3	11283	0	0	0	0.09	
-11287	NA	SLES	1	1.28925	-4.13078	-43.97	NA	0	0	0	0	1	
-11288	S	SLES	1	-0.571288	-6.80354	-42.3131	SL	11289	11290	11291	11292	1.33	
-11289	OS1	SLES	1	0.241587	-5.57775	-41.5106	OSL	11288	11293	0	0	-0.28	
-11290	OS2	SLES	1	-1.53049	-6.15571	-43.1836	O2L	11288	0	0	0	-0.65	
-11291	OS3	SLES	1	0.423834	-7.49526	-43.1055	O2L	11288	0	0	0	-0.65	
-11292	OS4	SLES	1	-1.25222	-7.74684	-41.4408	O2L	11288	0	0	0	-0.65	
-11293	C2	SLES	1	-0.0795072	-5.61165	-40.0559	CC32A	11289	11294	11295	11296	-0.11	
-11294	H2A	SLES	1	-1.19218	-5.55909	-39.8935	HCA2	11293	0	0	0	0.09	
-11295	H2B	SLES	1	0.305959	-6.57815	-39.6275	HCA2	11293	0	0	0	0.09	
-11296	C1	SLES	1	0.631789	-4.37513	-39.3273	CC32A	11293	11297	11298	11299	-0.01	
-11297	H1B	SLES	1	0.318617	-3.4202	-39.8087	HCA2	11296	0	0	0	0.09	
-11298	H1A	SLES	1	1.73948	-4.47238	-39.4091	HCA2	11296	0	0	0	0.09	
-11299	O1	SLES	1	0.391675	-4.1213	-37.8935	OC30A	11296	11300	0	0	-0.34	
-11300	C2	SLES	1	-0.146384	-5.21797	-37.1251	CC32A	11299	11301	11302	11303	-0.01	
-11301	H2A	SLES	1	-1.11166	-5.39966	-37.637	HCA2	11300	0	0	0	0.09	
-11302	H2B	SLES	1	0.552315	-6.0489	-37.3715	HCA2	11300	0	0	0	0.09	
-11303	C1	SLES	1	-0.377609	-5.16766	-35.5819	CC32A	11300	11304	11305	11306	-0.01	
-11304	H1B	SLES	1	-1.40708	-4.80618	-35.3685	HCA2	11303	0	0	0	0.09	
-11305	H1A	SLES	1	-0.264939	-6.1871	-35.1616	HCA2	11303	0	0	0	0.09	
-11306	O1	SLES	1	0.386178	-4.30077	-34.6831	OC30A	11303	11307	0	0	-0.34	
-11307	C1	SLES	1	0.558045	-4.81945	-33.3136	CTL2	11306	11308	11309	11310	-0.18	
-11308	H11	SLES	1	-0.10766	-5.69551	-33.2109	HAL2	11307	0	0	0	0.09	
-11309	H12	SLES	1	1.60926	-5.17328	-33.3458	HAL2	11307	0	0	0	0.09	
-11310	C2	SLES	1	0.356026	-3.85272	-32.0804	CTL2	11307	11311	11312	11313	-0.18	
-11311	H21	SLES	1	0.0527893	-2.84789	-32.4508	HAL2	11310	0	0	0	0.09	
-11312	H22	SLES	1	1.32451	-3.74242	-31.5452	HAL2	11310	0	0	0	0.09	
-11313	C3	SLES	1	-0.755149	-4.38993	-31.0532	CTL2	11310	11314	11315	11316	-0.18	
-11314	H31	SLES	1	-1.68998	-3.80259	-31.1925	HAL2	11313	0	0	0	0.09	
-11315	H32	SLES	1	-0.981329	-5.44934	-31.2871	HAL2	11313	0	0	0	0.09	
-11316	C4	SLES	1	-0.301927	-4.28312	-29.5381	CTL2	11313	11317	11318	11319	-0.18	
-11317	H41	SLES	1	-0.796113	-3.40309	-29.0761	HAL2	11316	0	0	0	0.09	
-11318	H42	SLES	1	0.796553	-4.11992	-29.4964	HAL2	11316	0	0	0	0.09	
-11319	C5	SLES	1	-0.664259	-5.58799	-28.695	CTL2	11316	11320	11321	11322	-0.18	
-11320	H51	SLES	1	-1.44031	-6.16893	-29.2406	HAL2	11319	0	0	0	0.09	
-11321	H52	SLES	1	0.243792	-6.2274	-28.6082	HAL2	11319	0	0	0	0.09	
-11322	C6	SLES	1	-1.19752	-5.25676	-27.2503	CTL2	11319	11323	11324	11325	-0.18	
-11323	H61	SLES	1	-2.22358	-4.83271	-27.3306	HAL2	11322	0	0	0	0.09	
-11324	H62	SLES	1	-1.26214	-6.20223	-26.6626	HAL2	11322	0	0	0	0.09	
-11325	C7	SLES	1	-0.286577	-4.24463	-26.486	CTL2	11322	11326	11327	11328	-0.18	
-11326	H71	SLES	1	-0.529723	-3.21232	-26.8222	HAL2	11325	0	0	0	0.09	
-11327	H72	SLES	1	0.777272	-4.44754	-26.7418	HAL2	11325	0	0	0	0.09	
-11328	C8	SLES	1	-0.460979	-4.32751	-24.9491	CTL2	11325	11329	11330	11331	-0.18	
-11329	H81	SLES	1	-1.54821	-4.35157	-24.7067	HAL2	11328	0	0	0	0.09	
-11330	H82	SLES	1	-0.00546232	-5.27524	-24.5818	HAL2	11328	0	0	0	0.09	
-11331	C9	SLES	1	0.195175	-3.13206	-24.2138	CTL2	11328	11332	11333	11334	-0.18	
-11332	H91	SLES	1	-0.239744	-2.18346	-24.6028	HAL2	11331	0	0	0	0.09	
-11333	H92	SLES	1	1.28646	-3.12526	-24.4341	HAL2	11331	0	0	0	0.09	
-11334	C10	SLES	1	-0.00990787	-3.18956	-22.6814	CTL2	11331	11335	11336	11337	-0.18	
-11335	H10	SLES	1	-1.1014	-3.17279	-22.4597	HAL2	11334	0	0	0	0.09	
-11336	H10	SLES	1	0.404972	-4.14787	-22.2947	HAL2	11334	0	0	0	0.09	
-11337	C11	SLES	1	0.6747	-2.00732	-21.9455	CTL2	11334	11338	11339	11340	-0.18	
-11338	H11	SLES	1	0.251512	-1.05153	-22.3308	HAL2	11337	0	0	0	0.09	
-11339	H11	SLES	1	1.76265	-2.01768	-22.1846	HAL2	11337	0	0	0	0.09	
-11340	C12	SLES	1	0.501269	-2.04548	-20.405	CTL3	11337	11341	11342	11343	-0.27	
-11341	H12	SLES	1	-0.0138196	-1.12525	-20.0512	HAL3	11340	0	0	0	0.09	
-11342	H12	SLES	1	1.49322	-2.1106	-19.9059	HAL3	11340	0	0	0	0.09	
-11343	H12	SLES	1	-0.104743	-2.92815	-20.1054	HAL3	11340	0	0	0	0.09	
-11344	NA	SLES	1	-5.51399	-0.890773	-43.8279	NA	0	0	0	0	1	
-11345	S	SLES	1	-2.71715	1.20251	-42.7573	SL	11346	11347	11348	11349	1.33	
-11346	OS1	SLES	1	-3.76317	0.413531	-41.7129	OSL	11345	11350	0	0	-0.28	
-11347	OS2	SLES	1	-2.12707	0.178813	-43.5947	O2L	11345	0	0	0	-0.65	
-11348	OS3	SLES	1	-3.53875	2.08299	-43.5612	O2L	11345	0	0	0	-0.65	
-11349	OS4	SLES	1	-1.67063	1.96727	-42.0982	O2L	11345	0	0	0	-0.65	
-11350	C2	SLES	1	-3.26535	0.511894	-40.3119	CC32A	11346	11351	11352	11353	-0.11	
-11351	H2A	SLES	1	-2.21359	0.117998	-40.2356	HCA2	11350	0	0	0	0.09	
-11352	H2B	SLES	1	-3.27198	1.59469	-40.0057	HCA2	11350	0	0	0	0.09	
-11353	C1	SLES	1	-4.22848	-0.32907	-39.347	CC32A	11350	11354	11355	11356	-0.01	
-11354	H1B	SLES	1	-4.29304	-1.38364	-39.7013	HCA2	11353	0	0	0	0.09	
-11355	H1A	SLES	1	-5.25136	0.114599	-39.3512	HCA2	11353	0	0	0	0.09	
-11356	O1	SLES	1	-3.8994	-0.47648	-37.916	OC30A	11353	11357	0	0	-0.34	
-11357	C2	SLES	1	-2.95271	0.466539	-37.3709	CC32A	11356	11358	11359	11360	-0.01	
-11358	H2A	SLES	1	-2.0523	0.260951	-37.9823	HCA2	11357	0	0	0	0.09	
-11359	H2B	SLES	1	-3.38237	1.44502	-37.6829	HCA2	11357	0	0	0	0.09	
-11360	C1	SLES	1	-2.55455	0.525757	-35.8625	CC32A	11357	11361	11362	11363	-0.01	
-11361	H1B	SLES	1	-1.67109	-0.124579	-35.6819	HCA2	11360	0	0	0	0.09	
-11362	H1A	SLES	1	-2.28885	1.56805	-35.5948	HCA2	11360	0	0	0	0.09	
-11363	O1	SLES	1	-3.43003	0.0686151	-34.7821	OC30A	11360	11364	0	0	-0.34	
-11364	C1	SLES	1	-3.25577	0.77266	-33.4983	CTL2	11363	11365	11366	11367	-0.18	
-11365	H11	SLES	1	-2.34243	1.38857	-33.5857	HAL2	11364	0	0	0	0.09	
-11366	H12	SLES	1	-4.13905	1.4443	-33.4975	HAL2	11364	0	0	0	0.09	
-11367	C2	SLES	1	-3.21066	-0.0544206	-32.1529	CTL2	11364	11368	11369	11370	-0.18	
-11368	H21	SLES	1	-3.28603	-1.13943	-32.3893	HAL2	11367	0	0	0	0.09	
-11369	H22	SLES	1	-4.08884	0.221904	-31.5292	HAL2	11367	0	0	0	0.09	
-11370	C3	SLES	1	-1.8662	0.20717	-31.3148	CTL2	11367	11371	11372	11373	-0.18	
-11371	H31	SLES	1	-1.18721	-0.665607	-31.4394	HAL2	11370	0	0	0	0.09	
-11372	H32	SLES	1	-1.35219	1.09901	-31.7254	HAL2	11370	0	0	0	0.09	
-11373	C4	SLES	1	-2.13363	0.433866	-29.7691	CTL2	11370	11374	11375	11376	-0.18	
-11374	H41	SLES	1	-1.88443	-0.498374	-29.2205	HAL2	11373	0	0	0	0.09	
-11375	H42	SLES	1	-3.21345	0.644878	-29.6126	HAL2	11373	0	0	0	0.09	
-11376	C5	SLES	1	-1.27786	1.63837	-29.1677	CTL2	11373	11377	11378	11379	-0.18	
-11377	H51	SLES	1	-0.435211	1.86504	-29.8576	HAL2	11376	0	0	0	0.09	
-11378	H52	SLES	1	-1.92205	2.54502	-29.1049	HAL2	11376	0	0	0	0.09	
-11379	C6	SLES	1	-0.695577	1.32383	-27.7382	CTL2	11376	11380	11381	11382	-0.18	
-11380	H61	SLES	1	0.127784	0.581298	-27.8372	HAL2	11379	0	0	0	0.09	
-11381	H62	SLES	1	-0.264795	2.25854	-27.309	HAL2	11379	0	0	0	0.09	
-11382	C7	SLES	1	-1.77207	0.762736	-26.7561	CTL2	11379	11383	11384	11385	-0.18	
-11383	H71	SLES	1	-1.90824	-0.32435	-26.9496	HAL2	11382	0	0	0	0.09	
-11384	H72	SLES	1	-2.74278	1.27065	-26.9512	HAL2	11382	0	0	0	0.09	
-11385	C8	SLES	1	-1.3866	0.964691	-25.2694	CTL2	11382	11386	11387	11388	-0.18	
-11386	H81	SLES	1	-0.324694	0.660395	-25.1239	HAL2	11385	0	0	0	0.09	
-11387	H82	SLES	1	-1.47281	2.04559	-25.0148	HAL2	11385	0	0	0	0.09	
-11388	C9	SLES	1	-2.28414	0.145005	-24.3088	CTL2	11385	11389	11390	11391	-0.18	
-11389	H91	SLES	1	-2.22035	-0.932528	-24.583	HAL2	11388	0	0	0	0.09	
-11390	H92	SLES	1	-3.34167	0.469411	-24.4348	HAL2	11388	0	0	0	0.09	
-11391	C10	SLES	1	-1.8783	0.31258	-22.8253	CTL2	11388	11392	11393	11394	-0.18	
-11392	H10	SLES	1	-0.827764	-0.0338305	-22.6943	HAL2	11391	0	0	0	0.09	
-11393	H10	SLES	1	-1.92048	1.39239	-22.5565	HAL2	11391	0	0	0	0.09	
-11394	C11	SLES	1	-2.79843	-0.485352	-21.8637	CTL2	11391	11395	11396	11397	-0.18	
-11395	H11	SLES	1	-2.74746	-1.56536	-22.1323	HAL2	11394	0	0	0	0.09	
-11396	H11	SLES	1	-3.84985	-0.148154	-22.0112	HAL2	11394	0	0	0	0.09	
-11397	C12	SLES	1	-2.42739	-0.3246	-20.3667	CTL3	11394	11398	11399	11400	-0.27	
-11398	H12	SLES	1	-2.18482	-1.31412	-19.9202	HAL3	11397	0	0	0	0.09	
-11399	H12	SLES	1	-3.27747	0.119626	-19.8034	HAL3	11397	0	0	0	0.09	
-11400	H12	SLES	1	-1.54315	0.340263	-20.2563	HAL3	11397	0	0	0	0.09	
+1	NA	SLES	1	9.17645	-10.7206	41.8682	NA	0	0	0	0	1	
+2	S	SLES	1	7.28471	-7.61138	41.5453	SL	3	4	5	6	1.33	
+3	OS1	SLES	1	7.84361	-8.5181	40.2519	OSL	2	7	0	0	-0.28	
+4	OS2	SLES	1	6.43972	-8.4912	42.3259	O2L	2	0	0	0	-0.65	
+5	OS3	SLES	1	8.45489	-7.24267	42.3143	O2L	2	0	0	0	-0.65	
+6	OS4	SLES	1	6.5437	-6.4181	41.1692	O2L	2	0	0	0	-0.65	
+7	C2	SLES	1	7.28073	-7.99677	38.9745	CC32A	3	8	9	10	-0.11	
+8	H2A	SLES	1	6.15622	-7.96926	39.018	HCA2	7	0	0	0	0.09	
+9	H2B	SLES	1	7.66486	-6.95112	38.8154	HCA2	7	0	0	0	0.09	
+10	C1	SLES	1	7.75176	-8.93601	37.7655	CC32A	7	11	12	13	-0.01	
+11	H1B	SLES	1	7.44868	-9.98985	37.9639	HCA2	10	0	0	0	0.09	
+12	H1A	SLES	1	8.8612	-8.89454	37.6626	HCA2	10	0	0	0	0.09	
+13	O1	SLES	1	7.24829	-8.69464	36.3994	OC30A	10	14	0	0	-0.34	
+14	C2	SLES	1	6.67805	-7.39419	36.1421	CC32A	13	15	16	17	-0.01	
+15	H2A	SLES	1	5.8336	-7.37258	36.8585	HCA2	14	0	0	0	0.09	
+16	H2B	SLES	1	7.47471	-6.70687	36.5058	HCA2	14	0	0	0	0.09	
+17	C1	SLES	1	6.18122	-6.92479	34.7385	CC32A	14	18	19	20	-0.01	
+18	H1B	SLES	1	5.10418	-7.17342	34.6193	HCA2	17	0	0	0	0.09	
+19	H1A	SLES	1	6.30332	-5.82623	34.6556	HCA2	17	0	0	0	0.09	
+20	O1	SLES	1	6.70488	-7.46004	33.4806	OC30A	17	21	0	0	-0.34	
+21	C1	SLES	1	6.68046	-6.52004	32.3449	CTL2	20	22	23	24	-0.18	
+22	H11	SLES	1	6.08139	-5.64588	32.6582	HAL2	21	0	0	0	0.09	
+23	H12	SLES	1	7.74701	-6.21896	32.2894	HAL2	21	0	0	0	0.09	
+24	C2	SLES	1	6.19027	-7.01839	30.9281	CTL2	21	25	26	27	-0.18	
+25	H21	SLES	1	5.87371	-8.08263	31.0054	HAL2	24	0	0	0	0.09	
+26	H22	SLES	1	7.03973	-6.96501	30.2124	HAL2	24	0	0	0	0.09	
+27	C3	SLES	1	4.96685	-6.14774	30.3592	CTL2	24	28	29	30	-0.18	
+28	H31	SLES	1	4.02485	-6.72841	30.4765	HAL2	27	0	0	0	0.09	
+29	H32	SLES	1	4.87226	-5.22149	30.9603	HAL2	27	0	0	0	0.09	
+30	C4	SLES	1	5.14208	-5.75521	28.8336	CTL2	27	31	32	33	-0.18	
+31	H41	SLES	1	4.50502	-6.42157	28.2153	HAL2	30	0	0	0	0.09	
+32	H42	SLES	1	6.19977	-5.9182	28.534	HAL2	30	0	0	0	0.09	
+33	C5	SLES	1	4.74859	-4.23727	28.5406	CTL2	30	34	35	36	-0.18	
+34	H51	SLES	1	4.12855	-3.85424	29.381	HAL2	33	0	0	0	0.09	
+35	H52	SLES	1	5.67761	-3.62434	28.4938	HAL2	33	0	0	0	0.09	
+36	C6	SLES	1	3.94911	-4.05916	27.1951	CTL2	33	37	38	39	-0.18	
+37	H61	SLES	1	2.92085	-4.46436	27.3277	HAL2	36	0	0	0	0.09	
+38	H62	SLES	1	3.86228	-2.97113	26.9668	HAL2	36	0	0	0	0.09	
+39	C7	SLES	1	4.62845	-4.77913	25.9874	CTL2	36	40	41	42	-0.18	
+40	H71	SLES	1	4.36272	-5.85918	26.0128	HAL2	39	0	0	0	0.09	
+41	H72	SLES	1	5.73347	-4.69477	26.0882	HAL2	39	0	0	0	0.09	
+42	C8	SLES	1	4.19943	-4.18735	24.6217	CTL2	39	43	44	45	-0.18	
+43	H81	SLES	1	3.09242	-4.06157	24.6109	HAL2	42	0	0	0	0.09	
+44	H82	SLES	1	4.6613	-3.18114	24.4999	HAL2	42	0	0	0	0.09	
+45	C9	SLES	1	4.61856	-5.08448	23.4301	CTL2	42	46	47	48	-0.18	
+46	H91	SLES	1	4.18057	-6.09914	23.5679	HAL2	45	0	0	0	0.09	
+47	H92	SLES	1	5.72717	-5.18676	23.4253	HAL2	45	0	0	0	0.09	
+48	C10	SLES	1	4.15813	-4.51755	22.0663	CTL2	45	49	50	51	-0.18	
+49	H10	SLES	1	3.04715	-4.43705	22.0623	HAL2	48	0	0	0	0.09	
+50	H10	SLES	1	4.57764	-3.49408	21.9376	HAL2	48	0	0	0	0.09	
+51	C11	SLES	1	4.60617	-5.40262	20.8731	CTL2	48	52	53	54	-0.18	
+52	H11	SLES	1	4.17848	-6.42308	21.0029	HAL2	51	0	0	0	0.09	
+53	H11	SLES	1	5.71616	-5.49487	20.8918	HAL2	51	0	0	0	0.09	
+54	C12	SLES	1	4.17382	-4.85188	19.4895	CTL3	51	55	56	57	-0.27	
+55	H12	SLES	1	3.53156	-5.59161	18.9626	HAL3	54	0	0	0	0.09	
+56	H12	SLES	1	5.06696	-4.64552	18.8593	HAL3	54	0	0	0	0.09	
+57	H12	SLES	1	3.59998	-3.90737	19.6109	HAL3	54	0	0	0	0.09	
+58	NA	SLES	1	-18.3966	-8.88801	39.1746	NA	0	0	0	0	1	
+59	S	SLES	1	-19.5052	-5.71846	37.734	SL	60	61	62	63	1.33	
+60	OS1	SLES	1	-18.3475	-6.71661	37.048	OSL	59	64	0	0	-0.28	
+61	OS2	SLES	1	-20.7063	-6.51688	37.866	O2L	59	0	0	0	-0.65	
+62	OS3	SLES	1	-19.0043	-5.36241	39.0451	O2L	59	0	0	0	-0.65	
+63	OS4	SLES	1	-19.7921	-4.51474	36.9704	O2L	59	0	0	0	-0.65	
+64	C2	SLES	1	-17.9991	-6.23897	35.6802	CC32A	60	65	66	67	-0.11	
+65	H2A	SLES	1	-18.922	-6.15876	35.0406	HCA2	64	0	0	0	0.09	
+66	H2B	SLES	1	-17.5263	-5.22152	35.7668	HCA2	64	0	0	0	0.09	
+67	C1	SLES	1	-16.9642	-7.26115	35.0095	CC32A	64	68	69	70	-0.01	
+68	H1B	SLES	1	-17.3962	-8.28833	35.003	HCA2	67	0	0	0	0.09	
+69	H1A	SLES	1	-16.0133	-7.27502	35.5915	HCA2	67	0	0	0	0.09	
+70	O1	SLES	1	-16.5344	-7.07016	33.6107	OC30A	67	71	0	0	-0.34	
+71	C2	SLES	1	-16.7484	-5.76089	33.0427	CC32A	70	72	73	74	-0.01	
+72	H2A	SLES	1	-17.8497	-5.66347	33.1097	HCA2	71	0	0	0	0.09	
+73	H2B	SLES	1	-16.2824	-5.09171	33.8006	HCA2	71	0	0	0	0.09	
+74	C1	SLES	1	-16.2754	-5.3447	31.6143	CC32A	71	75	76	77	-0.01	
+75	H1B	SLES	1	-17.0819	-5.55072	30.8773	HCA2	74	0	0	0	0.09	
+76	H1A	SLES	1	-16.054	-4.25866	31.6041	HCA2	74	0	0	0	0.09	
+77	O1	SLES	1	-15.1419	-5.96881	30.9299	OC30A	74	78	0	0	-0.34	
+78	C1	SLES	1	-14.4196	-5.09017	29.9917	CTL2	77	79	80	81	-0.18	
+79	H11	SLES	1	-15.0263	-4.17463	29.8697	HAL2	78	0	0	0	0.09	
+80	H12	SLES	1	-13.5136	-4.84061	30.5818	HAL2	78	0	0	0	0.09	
+81	C2	SLES	1	-13.9988	-5.64039	28.5717	CTL2	78	82	83	84	-0.18	
+82	H21	SLES	1	-14.3701	-6.68376	28.4604	HAL2	81	0	0	0	0.09	
+83	H22	SLES	1	-12.8889	-5.66318	28.5072	HAL2	81	0	0	0	0.09	
+84	C3	SLES	1	-14.5779	-4.74709	27.3695	CTL2	81	85	86	87	-0.18	
+85	H31	SLES	1	-15.4401	-5.27786	26.9079	HAL2	84	0	0	0	0.09	
+86	H32	SLES	1	-14.9498	-3.78697	27.7795	HAL2	84	0	0	0	0.09	
+87	C4	SLES	1	-13.5002	-4.44421	26.2475	CTL2	84	88	89	90	-0.18	
+88	H41	SLES	1	-13.6852	-5.11314	25.3812	HAL2	87	0	0	0	0.09	
+89	H42	SLES	1	-12.487	-4.67014	26.6442	HAL2	87	0	0	0	0.09	
+90	C5	SLES	1	-13.537	-2.9278	25.7536	CTL2	87	91	92	93	-0.18	
+91	H51	SLES	1	-14.5085	-2.47333	26.0486	HAL2	90	0	0	0	0.09	
+92	H52	SLES	1	-12.7251	-2.36052	26.2635	HAL2	90	0	0	0	0.09	
+93	C6	SLES	1	-13.3603	-2.78554	24.1948	CTL2	90	94	95	96	-0.18	
+94	H61	SLES	1	-14.2887	-3.13659	23.6909	HAL2	93	0	0	0	0.09	
+95	H62	SLES	1	-13.2197	-1.70834	23.9432	HAL2	93	0	0	0	0.09	
+96	C7	SLES	1	-12.1448	-3.59825	23.6467	CTL2	93	97	98	99	-0.18	
+97	H71	SLES	1	-12.4454	-4.66242	23.5245	HAL2	96	0	0	0	0.09	
+98	H72	SLES	1	-11.3161	-3.55835	24.3883	HAL2	96	0	0	0	0.09	
+99	C8	SLES	1	-11.632	-3.06102	22.2873	CTL2	96	100	101	102	-0.18	
+100	H81	SLES	1	-12.5017	-2.88644	21.6132	HAL2	99	0	0	0	0.09	
+101	H82	SLES	1	-11.122	-2.08442	22.451	HAL2	99	0	0	0	0.09	
+102	C9	SLES	1	-10.6461	-4.03793	21.5988	CTL2	99	103	104	105	-0.18	
+103	H91	SLES	1	-11.1471	-5.02319	21.4623	HAL2	102	0	0	0	0.09	
+104	H92	SLES	1	-9.76412	-4.18997	22.261	HAL2	102	0	0	0	0.09	
+105	C10	SLES	1	-10.1612	-3.52397	20.2226	CTL2	102	106	107	108	-0.18	
+106	H10	SLES	1	-11.0413	-3.39402	19.5522	HAL2	105	0	0	0	0.09	
+107	H10	SLES	1	-9.6798	-2.52862	20.3551	HAL2	105	0	0	0	0.09	
+108	C11	SLES	1	-9.15036	-4.49024	19.5499	CTL2	105	109	110	111	-0.18	
+109	H11	SLES	1	-9.63876	-5.48217	19.4133	HAL2	108	0	0	0	0.09	
+110	H11	SLES	1	-8.28069	-4.63108	20.2316	HAL2	108	0	0	0	0.09	
+111	C12	SLES	1	-8.63231	-3.99474	18.1749	CTL3	108	112	113	114	-0.27	
+112	H12	SLES	1	-8.88098	-4.73179	17.3797	HAL3	111	0	0	0	0.09	
+113	H12	SLES	1	-7.5282	-3.86235	18.2027	HAL3	111	0	0	0	0.09	
+114	H12	SLES	1	-9.09952	-3.02033	17.9134	HAL3	111	0	0	0	0.09	
+115	NA	SLES	1	-9.57901	23.0156	36.4775	NA	0	0	0	0	1	
+116	S	SLES	1	-10.7404	24.6138	33.4038	SL	117	118	119	120	1.33	
+117	OS1	SLES	1	-9.85053	23.195	33.4552	OSL	116	121	0	0	-0.28	
+118	OS2	SLES	1	-11.9373	24.3736	34.1831	O2L	116	0	0	0	-0.65	
+119	OS3	SLES	1	-9.92708	25.623	34.0493	O2L	116	0	0	0	-0.65	
+120	OS4	SLES	1	-11.1008	25.0509	32.0646	O2L	116	0	0	0	-0.65	
+121	C2	SLES	1	-9.78852	22.5753	32.1016	CC32A	117	122	123	124	-0.11	
+122	H2A	SLES	1	-10.8242	22.4111	31.6922	HCA2	121	0	0	0	0.09	
+123	H2B	SLES	1	-9.23156	23.2716	31.4151	HCA2	121	0	0	0	0.09	
+124	C1	SLES	1	-9.01617	21.1751	32.1947	CC32A	121	125	126	127	-0.01	
+125	H1B	SLES	1	-9.51596	20.5154	32.9409	HCA2	124	0	0	0	0.09	
+126	H1A	SLES	1	-7.96133	21.3439	32.514	HCA2	124	0	0	0	0.09	
+127	O1	SLES	1	-8.90421	20.3094	31.0048	OC30A	124	128	0	0	-0.34	
+128	C2	SLES	1	-9.14105	20.9357	29.7264	CC32A	127	129	130	131	-0.01	
+129	H2A	SLES	1	-10.187	21.2832	29.836	HCA2	128	0	0	0	0.09	
+130	H2B	SLES	1	-8.46402	21.8187	29.7629	HCA2	128	0	0	0	0.09	
+131	C1	SLES	1	-8.97665	20.2053	28.3564	CC32A	128	132	133	134	-0.01	
+132	H1B	SLES	1	-9.94367	19.7447	28.0584	HCA2	131	0	0	0	0.09	
+133	H1A	SLES	1	-8.68054	20.9415	27.5825	HCA2	131	0	0	0	0.09	
+134	O1	SLES	1	-8.08119	19.0647	28.1566	OC30A	131	135	0	0	-0.34	
+135	C1	SLES	1	-7.52707	18.938	26.7961	CTL2	134	136	137	138	-0.18	
+136	H11	SLES	1	-8.07329	19.6523	26.1539	HAL2	135	0	0	0	0.09	
+137	H12	SLES	1	-6.49374	19.3132	26.9468	HAL2	135	0	0	0	0.09	
+138	C2	SLES	1	-7.48584	17.5214	26.0976	CTL2	135	139	140	141	-0.18	
+139	H21	SLES	1	-7.95184	16.7687	26.7721	HAL2	138	0	0	0	0.09	
+140	H22	SLES	1	-6.42521	17.228	25.9379	HAL2	138	0	0	0	0.09	
+141	C3	SLES	1	-8.25396	17.5083	24.6875	CTL2	138	142	143	144	-0.18	
+142	H31	SLES	1	-9.23713	17.0033	24.8164	HAL2	141	0	0	0	0.09	
+143	H32	SLES	1	-8.44724	18.5529	24.3716	HAL2	141	0	0	0	0.09	
+144	C4	SLES	1	-7.44133	16.7677	23.5459	CTL2	141	145	146	147	-0.18	
+145	H41	SLES	1	-7.87043	15.7547	23.3983	HAL2	144	0	0	0	0.09	
+146	H42	SLES	1	-6.38471	16.6482	23.8689	HAL2	144	0	0	0	0.09	
+147	C5	SLES	1	-7.47328	17.5555	22.1591	CTL2	144	148	149	150	-0.18	
+148	H51	SLES	1	-8.31369	18.2842	22.1747	HAL2	147	0	0	0	0.09	
+149	H52	SLES	1	-6.5251	18.1292	22.046	HAL2	147	0	0	0	0.09	
+150	C6	SLES	1	-7.64731	16.6034	20.9163	CTL2	147	151	152	153	-0.18	
+151	H61	SLES	1	-8.69051	16.2155	20.8997	HAL2	150	0	0	0	0.09	
+152	H62	SLES	1	-7.48554	17.1926	19.9834	HAL2	150	0	0	0	0.09	
+153	C7	SLES	1	-6.65564	15.3974	20.934	CTL2	150	154	155	156	-0.18	
+154	H71	SLES	1	-7.05721	14.6074	21.6067	HAL2	153	0	0	0	0.09	
+155	H72	SLES	1	-5.67877	15.7355	21.346	HAL2	153	0	0	0	0.09	
+156	C8	SLES	1	-6.42746	14.7917	19.5267	CTL2	153	157	158	159	-0.18	
+157	H81	SLES	1	-7.41224	14.6623	19.0218	HAL2	156	0	0	0	0.09	
+158	H82	SLES	1	-5.81996	15.5008	18.9195	HAL2	156	0	0	0	0.09	
+159	C9	SLES	1	-5.70331	13.4231	19.5818	CTL2	156	160	161	162	-0.18	
+160	H91	SLES	1	-6.29653	12.7236	20.2135	HAL2	159	0	0	0	0.09	
+161	H92	SLES	1	-4.70767	13.5585	20.0612	HAL2	159	0	0	0	0.09	
+162	C10	SLES	1	-5.50789	12.7954	18.1814	CTL2	159	163	164	165	-0.18	
+163	H10	SLES	1	-6.50526	12.6382	17.7109	HAL2	162	0	0	0	0.09	
+164	H10	SLES	1	-4.93381	13.5038	17.5422	HAL2	162	0	0	0	0.09	
+165	C11	SLES	1	-4.75511	11.4396	18.2377	CTL2	162	166	167	168	-0.18	
+166	H11	SLES	1	-5.33666	10.7325	18.8725	HAL2	165	0	0	0	0.09	
+167	H11	SLES	1	-3.76608	11.5985	18.7251	HAL2	165	0	0	0	0.09	
+168	C12	SLES	1	-4.52865	10.7922	16.847	CTL3	165	169	170	171	-0.27	
+169	H12	SLES	1	-5.00853	9.78958	16.8046	HAL3	168	0	0	0	0.09	
+170	H12	SLES	1	-3.44062	10.673	16.6487	HAL3	168	0	0	0	0.09	
+171	H12	SLES	1	-4.96686	11.4288	16.0477	HAL3	168	0	0	0	0.09	
+172	NA	SLES	1	25.8807	18.0046	30.9533	NA	0	0	0	0	1	
+173	S	SLES	1	23.3125	20.2822	29.7014	SL	174	175	176	177	1.33	
+174	OS1	SLES	1	23.5698	18.7328	29.1177	OSL	173	178	0	0	-0.28	
+175	OS2	SLES	1	23.0417	20.1454	31.1175	O2L	173	0	0	0	-0.65	
+176	OS3	SLES	1	24.5556	20.9982	29.5048	O2L	173	0	0	0	-0.65	
+177	OS4	SLES	1	22.2228	20.9963	29.0555	O2L	173	0	0	0	-0.65	
+178	C2	SLES	1	22.4784	18.3468	28.1795	CC32A	174	179	180	181	-0.11	
+179	H2A	SLES	1	21.4732	18.4512	28.6753	HCA2	178	0	0	0	0.09	
+180	H2B	SLES	1	22.5169	19.0302	27.2863	HCA2	178	0	0	0	0.09	
+181	C1	SLES	1	22.6945	16.8306	27.7104	CC32A	178	182	183	184	-0.01	
+182	H1B	SLES	1	22.7452	16.1619	28.6004	HCA2	181	0	0	0	0.09	
+183	H1A	SLES	1	23.6483	16.7421	27.1398	HCA2	181	0	0	0	0.09	
+184	O1	SLES	1	21.6921	16.1698	26.8523	OC30A	181	185	0	0	-0.34	
+185	C2	SLES	1	20.7733	17.0336	26.1505	CC32A	184	186	187	188	-0.01	
+186	H2A	SLES	1	20.2637	17.5487	26.9882	HCA2	185	0	0	0	0.09	
+187	H2B	SLES	1	21.4576	17.7545	25.6491	HCA2	185	0	0	0	0.09	
+188	C1	SLES	1	19.7087	16.5239	25.1287	CC32A	185	189	190	191	-0.01	
+189	H1B	SLES	1	18.7541	16.3099	25.657	HCA2	188	0	0	0	0.09	
+190	H1A	SLES	1	19.5255	17.3095	24.3686	HCA2	188	0	0	0	0.09	
+191	O1	SLES	1	19.8578	15.2845	24.3642	OC30A	188	192	0	0	-0.34	
+192	C1	SLES	1	19.2025	15.284	23.0434	CTL2	191	193	194	195	-0.18	
+193	H11	SLES	1	18.5649	16.1853	22.9956	HAL2	192	0	0	0	0.09	
+194	H12	SLES	1	20.0723	15.4274	22.3695	HAL2	192	0	0	0	0.09	
+195	C2	SLES	1	18.3712	14.0216	22.5835	CTL2	192	196	197	198	-0.18	
+196	H21	SLES	1	18.3688	13.2685	23.403	HAL2	195	0	0	0	0.09	
+197	H22	SLES	1	18.8677	13.5644	21.6997	HAL2	195	0	0	0	0.09	
+198	C3	SLES	1	16.8546	14.3885	22.2044	CTL2	195	199	200	201	-0.18	
+199	H31	SLES	1	16.1864	14.0634	23.0327	HAL2	198	0	0	0	0.09	
+200	H32	SLES	1	16.7629	15.4885	22.1055	HAL2	198	0	0	0	0.09	
+201	C4	SLES	1	16.3708	13.7088	20.8568	CTL2	198	202	203	204	-0.18	
+202	H41	SLES	1	15.7341	12.8337	21.1038	HAL2	201	0	0	0	0.09	
+203	H42	SLES	1	17.2563	13.3402	20.2955	HAL2	201	0	0	0	0.09	
+204	C5	SLES	1	15.5465	14.7083	19.926	CTL2	201	205	206	207	-0.18	
+205	H51	SLES	1	15.1971	15.5692	20.5376	HAL2	204	0	0	0	0.09	
+206	H52	SLES	1	16.2206	15.1037	19.1322	HAL2	204	0	0	0	0.09	
+207	C6	SLES	1	14.2996	14.0266	19.2464	CTL2	204	208	209	210	-0.18	
+208	H61	SLES	1	13.5169	13.8504	20.018	HAL2	207	0	0	0	0.09	
+209	H62	SLES	1	13.8783	14.7217	18.483	HAL2	207	0	0	0	0.09	
+210	C7	SLES	1	14.6515	12.6695	18.5588	CTL2	207	211	212	213	-0.18	
+211	H71	SLES	1	14.68	11.8685	19.3304	HAL2	210	0	0	0	0.09	
+212	H72	SLES	1	15.6641	12.7441	18.1034	HAL2	210	0	0	0	0.09	
+213	C8	SLES	1	13.6322	12.2747	17.4612	CTL2	210	214	215	216	-0.18	
+214	H81	SLES	1	12.5996	12.4191	17.8541	HAL2	213	0	0	0	0.09	
+215	H82	SLES	1	13.7636	12.9477	16.5834	HAL2	213	0	0	0	0.09	
+216	C9	SLES	1	13.7977	10.8045	17.0012	CTL2	213	217	218	219	-0.18	
+217	H91	SLES	1	13.6955	10.134	17.8845	HAL2	216	0	0	0	0.09	
+218	H92	SLES	1	14.8204	10.6681	16.583	HAL2	216	0	0	0	0.09	
+219	C10	SLES	1	12.7567	10.3934	15.9331	CTL2	216	220	221	222	-0.18	
+220	H10	SLES	1	11.7339	10.5075	16.3593	HAL2	219	0	0	0	0.09	
+221	H10	SLES	1	12.8433	11.0774	15.0587	HAL2	219	0	0	0	0.09	
+222	C11	SLES	1	12.9448	8.92997	15.4525	CTL2	219	223	224	225	-0.18	
+223	H11	SLES	1	12.8504	8.24941	16.3294	HAL2	222	0	0	0	0.09	
+224	H11	SLES	1	13.9748	8.81624	15.0438	HAL2	222	0	0	0	0.09	
+225	C12	SLES	1	11.9259	8.49238	14.3685	CTL3	222	226	227	228	-0.27	
+226	H12	SLES	1	11.3349	7.61943	14.7235	HAL3	225	0	0	0	0.09	
+227	H12	SLES	1	12.4558	8.20511	13.4335	HAL3	225	0	0	0	0.09	
+228	H12	SLES	1	11.2253	9.32418	14.1374	HAL3	225	0	0	0	0.09	
+229	NA	SLES	1	31.7862	-18.4893	24.4922	NA	0	0	0	0	1	
+230	S	SLES	1	30.195	-15.6206	26.1012	SL	231	232	233	234	1.33	
+231	OS1	SLES	1	29.8421	-16.1533	24.5523	OSL	230	235	0	0	-0.28	
+232	OS2	SLES	1	29.9438	-16.74	26.9851	O2L	230	0	0	0	-0.65	
+233	OS3	SLES	1	31.6066	-15.298	26.1043	O2L	230	0	0	0	-0.65	
+234	OS4	SLES	1	29.4227	-14.4663	26.532	O2L	230	0	0	0	-0.65	
+235	C2	SLES	1	28.6524	-15.4331	24.0173	CC32A	231	236	237	238	-0.11	
+236	H2A	SLES	1	27.7748	-15.544	24.7136	HCA2	235	0	0	0	0.09	
+237	H2B	SLES	1	28.9079	-14.3412	23.9241	HCA2	235	0	0	0	0.09	
+238	C1	SLES	1	28.2776	-16.0258	22.5771	CC32A	235	239	240	241	-0.01	
+239	H1B	SLES	1	28.1102	-17.125	22.6514	HCA2	238	0	0	0	0.09	
+240	H1A	SLES	1	29.1105	-15.8369	21.8604	HCA2	238	0	0	0	0.09	
+241	O1	SLES	1	27.0721	-15.5509	21.8706	OC30A	238	242	0	0	-0.34	
+242	C2	SLES	1	26.5118	-14.2992	22.32	CC32A	241	243	244	245	-0.01	
+243	H2A	SLES	1	26.2582	-14.5308	23.373	HCA2	242	0	0	0	0.09	
+244	H2B	SLES	1	27.3951	-13.6218	22.3043	HCA2	242	0	0	0	0.09	
+245	C1	SLES	1	25.2983	-13.5942	21.6359	CC32A	242	246	247	248	-0.01	
+246	H1B	SLES	1	24.3516	-13.9318	22.1113	HCA2	245	0	0	0	0.09	
+247	H1A	SLES	1	25.3904	-12.4975	21.7676	HCA2	245	0	0	0	0.09	
+248	O1	SLES	1	24.9527	-13.7787	20.2255	OC30A	245	249	0	0	-0.34	
+249	C1	SLES	1	24.2965	-12.6225	19.588	CTL2	248	250	251	252	-0.18	
+250	H11	SLES	1	24.0346	-11.9118	20.3928	HAL2	249	0	0	0	0.09	
+251	H12	SLES	1	25.1331	-12.1971	18.9962	HAL2	249	0	0	0	0.09	
+252	C2	SLES	1	23.0425	-12.8518	18.6546	CTL2	249	253	254	255	-0.18	
+253	H21	SLES	1	22.7921	-13.9362	18.6404	HAL2	252	0	0	0	0.09	
+254	H22	SLES	1	23.3035	-12.5471	17.6175	HAL2	252	0	0	0	0.09	
+255	C3	SLES	1	21.7553	-12.023	19.1389	CTL2	252	256	257	258	-0.18	
+256	H31	SLES	1	21.0445	-12.7186	19.638	HAL2	255	0	0	0	0.09	
+257	H32	SLES	1	22.0719	-11.2673	19.8851	HAL2	255	0	0	0	0.09	
+258	C4	SLES	1	21.007	-11.2894	17.9497	CTL2	255	259	260	261	-0.18	
+259	H41	SLES	1	20.102	-11.8728	17.68	HAL2	258	0	0	0	0.09	
+260	H42	SLES	1	21.6737	-11.2616	17.0609	HAL2	258	0	0	0	0.09	
+261	C5	SLES	1	20.5763	-9.79906	18.3212	CTL2	258	262	263	264	-0.18	
+262	H51	SLES	1	20.5909	-9.68191	19.4273	HAL2	261	0	0	0	0.09	
+263	H52	SLES	1	21.3197	-9.08905	17.8921	HAL2	261	0	0	0	0.09	
+264	C6	SLES	1	19.1424	-9.42358	17.7879	CTL2	261	265	266	267	-0.18	
+265	H61	SLES	1	18.3782	-9.96227	18.3918	HAL2	264	0	0	0	0.09	
+266	H62	SLES	1	18.9799	-8.32909	17.9261	HAL2	264	0	0	0	0.09	
+267	C7	SLES	1	18.9446	-9.78033	16.2806	CTL2	264	268	269	270	-0.18	
+268	H71	SLES	1	18.7036	-10.8629	16.1927	HAL2	267	0	0	0	0.09	
+269	H72	SLES	1	19.8964	-9.59481	15.7347	HAL2	267	0	0	0	0.09	
+270	C8	SLES	1	17.8129	-8.95735	15.6162	CTL2	267	271	272	273	-0.18	
+271	H81	SLES	1	16.921	-8.95907	16.284	HAL2	270	0	0	0	0.09	
+272	H82	SLES	1	18.1515	-7.90296	15.497	HAL2	270	0	0	0	0.09	
+273	C9	SLES	1	17.4083	-9.51894	14.2301	CTL2	270	274	275	276	-0.18	
+274	H91	SLES	1	17.098	-10.5823	14.3456	HAL2	273	0	0	0	0.09	
+275	H92	SLES	1	18.2931	-9.49085	13.5549	HAL2	273	0	0	0	0.09	
+276	C10	SLES	1	16.2515	-8.72404	13.5794	CTL2	273	277	278	279	-0.18	
+277	H10	SLES	1	15.3588	-8.77159	14.2438	HAL2	276	0	0	0	0.09	
+278	H10	SLES	1	16.5527	-7.65624	13.4838	HAL2	276	0	0	0	0.09	
+279	C11	SLES	1	15.8697	-9.27028	12.178	CTL2	276	280	281	282	-0.18	
+280	H11	SLES	1	15.5627	-10.3363	12.28	HAL2	279	0	0	0	0.09	
+281	H11	SLES	1	16.77	-9.23746	11.5228	HAL2	279	0	0	0	0.09	
+282	C12	SLES	1	14.7231	-8.48356	11.4917	CTL3	279	283	284	285	-0.27	
+283	H12	SLES	1	13.8652	-9.15854	11.2781	HAL3	282	0	0	0	0.09	
+284	H12	SLES	1	15.0759	-8.0443	10.5326	HAL3	282	0	0	0	0.09	
+285	H12	SLES	1	14.3706	-7.65996	12.1501	HAL3	282	0	0	0	0.09	
+286	NA	SLES	1	0.219584	-39.4918	19.8098	NA	0	0	0	0	1	
+287	S	SLES	1	-1.53923	-36.919	21.7171	SL	288	289	290	291	1.33	
+288	OS1	SLES	1	-0.73187	-36.6426	20.2751	OSL	287	292	0	0	-0.28	
+289	OS2	SLES	1	-2.53461	-37.9338	21.4397	O2L	287	0	0	0	-0.65	
+290	OS3	SLES	1	-0.550768	-37.4381	22.6391	O2L	287	0	0	0	-0.65	
+291	OS4	SLES	1	-2.17668	-35.7424	22.286	O2L	287	0	0	0	-0.65	
+292	C2	SLES	1	-1.01378	-35.2652	19.7815	CC32A	288	293	294	295	-0.11	
+293	H2A	SLES	1	-2.12265	-35.0971	19.6851	HCA2	292	0	0	0	0.09	
+294	H2B	SLES	1	-0.596626	-34.528	20.5223	HCA2	292	0	0	0	0.09	
+295	C1	SLES	1	-0.310107	-35.0582	18.3575	CC32A	292	296	297	298	-0.01	
+296	H1B	SLES	1	-0.656154	-35.843	17.646	HCA2	295	0	0	0	0.09	
+297	H1A	SLES	1	0.796874	-35.1349	18.4664	HCA2	295	0	0	0	0.09	
+298	O1	SLES	1	-0.51777	-33.8073	17.6026	OC30A	295	299	0	0	-0.34	
+299	C2	SLES	1	-1.01189	-32.6764	18.3507	CC32A	298	300	301	302	-0.01	
+300	H2A	SLES	1	-1.98621	-33.0561	18.7159	HCA2	299	0	0	0	0.09	
+301	H2B	SLES	1	-0.302342	-32.627	19.2071	HCA2	299	0	0	0	0.09	
+302	C1	SLES	1	-1.20345	-31.2501	17.7455	CC32A	299	303	304	305	-0.01	
+303	H1B	SLES	1	-2.23442	-31.1492	17.3419	HCA2	302	0	0	0	0.09	
+304	H1A	SLES	1	-1.05802	-30.4924	18.5414	HCA2	302	0	0	0	0.09	
+305	O1	SLES	1	-0.43495	-30.7522	16.6035	OC30A	302	306	0	0	-0.34	
+306	C1	SLES	1	-0.216071	-29.2942	16.5874	CTL2	305	307	308	309	-0.18	
+307	H11	SLES	1	-0.859992	-28.8592	17.3731	HAL2	306	0	0	0	0.09	
+308	H12	SLES	1	0.841242	-29.2297	16.9178	HAL2	306	0	0	0	0.09	
+309	C2	SLES	1	-0.406157	-28.4899	15.2408	CTL2	306	310	311	312	-0.18	
+310	H21	SLES	1	-0.740414	-29.1896	14.4424	HAL2	309	0	0	0	0.09	
+311	H22	SLES	1	0.573502	-28.0627	14.9336	HAL2	309	0	0	0	0.09	
+312	C3	SLES	1	-1.4782	-27.3025	15.3795	CTL2	309	313	314	315	-0.18	
+313	H31	SLES	1	-2.4287	-27.6152	14.8926	HAL2	312	0	0	0	0.09	
+314	H32	SLES	1	-1.68779	-27.1286	16.4538	HAL2	312	0	0	0	0.09	
+315	C4	SLES	1	-0.987643	-25.9449	14.7249	CTL2	312	316	317	318	-0.18	
+316	H41	SLES	1	-1.48817	-25.818	13.7423	HAL2	315	0	0	0	0.09	
+317	H42	SLES	1	0.107819	-26.0008	14.5464	HAL2	315	0	0	0	0.09	
+318	C5	SLES	1	-1.29973	-24.6746	15.638	CTL2	315	319	320	321	-0.18	
+319	H51	SLES	1	-2.07729	-24.9469	16.3854	HAL2	318	0	0	0	0.09	
+320	H52	SLES	1	-0.376264	-24.391	16.1927	HAL2	318	0	0	0	0.09	
+321	C6	SLES	1	-1.80173	-23.4321	14.81	CTL2	318	322	323	324	-0.18	
+322	H61	SLES	1	-2.83837	-23.6277	14.4548	HAL2	321	0	0	0	0.09	
+323	H62	SLES	1	-1.83067	-22.5397	15.478	HAL2	321	0	0	0	0.09	
+324	C7	SLES	1	-0.892806	-23.117	13.58	CTL2	321	325	326	327	-0.18	
+325	H71	SLES	1	-1.16669	-23.7967	12.743	HAL2	324	0	0	0	0.09	
+326	H72	SLES	1	0.168034	-23.3158	13.851	HAL2	324	0	0	0	0.09	
+327	C8	SLES	1	-1.02489	-21.6499	13.1006	CTL2	324	328	329	330	-0.18	
+328	H81	SLES	1	-2.10461	-21.3804	13.0462	HAL2	327	0	0	0	0.09	
+329	H82	SLES	1	-0.539742	-20.9787	13.8454	HAL2	327	0	0	0	0.09	
+330	C9	SLES	1	-0.375283	-21.42	11.713	CTL2	327	331	332	333	-0.18	
+331	H91	SLES	1	-0.840438	-22.1125	10.9751	HAL2	330	0	0	0	0.09	
+332	H92	SLES	1	0.709429	-21.6629	11.7755	HAL2	330	0	0	0	0.09	
+333	C10	SLES	1	-0.538696	-19.9655	11.212	CTL2	330	334	335	336	-0.18	
+334	H10	SLES	1	-1.62408	-19.7299	11.1271	HAL2	333	0	0	0	0.09	
+335	H10	SLES	1	-0.0934228	-19.271	11.96	HAL2	333	0	0	0	0.09	
+336	C11	SLES	1	0.13965	-19.7312	9.83616	CTL2	333	337	338	339	-0.18	
+337	H11	SLES	1	-0.313838	-20.4232	9.09011	HAL2	336	0	0	0	0.09	
+338	H11	SLES	1	1.22091	-19.9852	9.92146	HAL2	336	0	0	0	0.09	
+339	C12	SLES	1	0.0076712	-18.2771	9.31383	CTL3	336	340	341	342	-0.27	
+340	H12	SLES	1	-0.517453	-18.2648	8.3333	HAL3	339	0	0	0	0.09	
+341	H12	SLES	1	1.01358	-17.8207	9.18291	HAL3	339	0	0	0	0.09	
+342	H12	SLES	1	-0.571268	-17.6583	10.0336	HAL3	339	0	0	0	0.09	
+343	NA	SLES	1	-34.8873	-21.0097	17.1332	NA	0	0	0	0	1	
+344	S	SLES	1	-35.5025	-17.4687	16.4752	SL	345	346	347	348	1.33	
+345	OS1	SLES	1	-34.0284	-18.2318	16.2471	OSL	344	349	0	0	-0.28	
+346	OS2	SLES	1	-36.4616	-18.1799	15.6556	O2L	344	0	0	0	-0.65	
+347	OS3	SLES	1	-35.8308	-17.637	17.8754	O2L	344	0	0	0	-0.65	
+348	OS4	SLES	1	-35.5091	-16.0557	16.132	O2L	344	0	0	0	-0.65	
+349	C2	SLES	1	-33.0798	-17.3227	15.5442	CC32A	345	350	351	352	-0.11	
+350	H2A	SLES	1	-33.5227	-16.9588	14.5754	HCA2	349	0	0	0	0.09	
+351	H2B	SLES	1	-32.8764	-16.4367	16.2074	HCA2	349	0	0	0	0.09	
+352	C1	SLES	1	-31.713	-18.1055	15.2529	CC32A	349	353	354	355	-0.01	
+353	H1B	SLES	1	-31.9234	-19.0319	14.6703	HCA2	352	0	0	0	0.09	
+354	H1A	SLES	1	-31.2255	-18.389	16.2147	HCA2	352	0	0	0	0.09	
+355	O1	SLES	1	-30.6389	-17.458	14.4751	OC30A	352	356	0	0	-0.34	
+356	C2	SLES	1	-30.7036	-16.0212	14.3573	CC32A	355	357	358	359	-0.01	
+357	H2A	SLES	1	-31.6731	-15.8809	13.8402	HCA2	356	0	0	0	0.09	
+358	H2B	SLES	1	-30.8123	-15.6984	15.4171	HCA2	356	0	0	0	0.09	
+359	C1	SLES	1	-29.6099	-15.1561	13.6553	CC32A	356	360	361	362	-0.01	
+360	H1B	SLES	1	-29.863	-15.0319	12.5798	HCA2	359	0	0	0	0.09	
+361	H1A	SLES	1	-29.575	-14.1549	14.1297	HCA2	359	0	0	0	0.09	
+362	O1	SLES	1	-28.2105	-15.5695	13.5396	OC30A	359	363	0	0	-0.34	
+363	C1	SLES	1	-27.2348	-14.4646	13.5046	CTL2	362	364	365	366	-0.18	
+364	H11	SLES	1	-27.8079	-13.5274	13.3845	HAL2	363	0	0	0	0.09	
+365	H12	SLES	1	-26.827	-14.5024	14.5359	HAL2	363	0	0	0	0.09	
+366	C2	SLES	1	-26.051	-14.4997	12.4589	CTL2	363	367	368	369	-0.18	
+367	H21	SLES	1	-26.1527	-15.4079	11.8235	HAL2	366	0	0	0	0.09	
+368	H22	SLES	1	-25.0863	-14.5719	13.0074	HAL2	366	0	0	0	0.09	
+369	C3	SLES	1	-26.0246	-13.2005	11.5157	CTL2	366	370	371	372	-0.18	
+370	H31	SLES	1	-26.4239	-13.4734	10.5135	HAL2	369	0	0	0	0.09	
+371	H32	SLES	1	-26.6902	-12.4268	11.9476	HAL2	369	0	0	0	0.09	
+372	C4	SLES	1	-24.5721	-12.5904	11.3416	CTL2	369	373	374	375	-0.18	
+373	H41	SLES	1	-24.1711	-12.8931	10.3518	HAL2	372	0	0	0	0.09	
+374	H42	SLES	1	-23.9039	-13.0097	12.1244	HAL2	372	0	0	0	0.09	
+375	C5	SLES	1	-24.5577	-10.9987	11.4464	CTL2	372	376	377	378	-0.18	
+376	H51	SLES	1	-25.5909	-10.6154	11.2944	HAL2	375	0	0	0	0.09	
+377	H52	SLES	1	-24.2312	-10.7055	12.4703	HAL2	375	0	0	0	0.09	
+378	C6	SLES	1	-23.6032	-10.3227	10.3912	CTL2	375	379	380	381	-0.18	
+379	H61	SLES	1	-24.061	-10.4087	9.38028	HAL2	378	0	0	0	0.09	
+380	H62	SLES	1	-23.5063	-9.23843	10.6329	HAL2	378	0	0	0	0.09	
+381	C7	SLES	1	-22.1806	-10.9659	10.3624	CTL2	378	382	383	384	-0.18	
+382	H71	SLES	1	-22.2146	-11.8943	9.75023	HAL2	381	0	0	0	0.09	
+383	H72	SLES	1	-21.8876	-11.248	11.3982	HAL2	381	0	0	0	0.09	
+384	C8	SLES	1	-21.1076	-10.0153	9.77552	CTL2	381	385	386	387	-0.18	
+385	H81	SLES	1	-21.5013	-9.55458	8.84058	HAL2	384	0	0	0	0.09	
+386	H82	SLES	1	-20.9082	-9.19726	10.5047	HAL2	384	0	0	0	0.09	
+387	C9	SLES	1	-19.7788	-10.7463	9.45884	CTL2	384	388	389	390	-0.18	
+388	H91	SLES	1	-19.9839	-11.5827	8.75261	HAL2	387	0	0	0	0.09	
+389	H92	SLES	1	-19.3717	-11.1825	10.3988	HAL2	387	0	0	0	0.09	
+390	C10	SLES	1	-18.7169	-9.80944	8.83599	CTL2	387	391	392	393	-0.18	
+391	H10	SLES	1	-19.1149	-9.39101	7.88348	HAL2	390	0	0	0	0.09	
+392	H10	SLES	1	-18.5275	-8.96095	9.53186	HAL2	390	0	0	0	0.09	
+393	C11	SLES	1	-17.3772	-10.5378	8.5486	CTL2	390	394	395	396	-0.18	
+394	H11	SLES	1	-17.5707	-11.3812	7.84692	HAL2	393	0	0	0	0.09	
+395	H11	SLES	1	-16.9923	-10.9698	9.50057	HAL2	393	0	0	0	0.09	
+396	C12	SLES	1	-16.2855	-9.62083	7.93865	CTL3	393	397	398	399	-0.27	
+397	H12	SLES	1	-15.9658	-10.0081	6.94612	HAL3	396	0	0	0	0.09	
+398	H12	SLES	1	-15.3969	-9.58084	8.60655	HAL3	396	0	0	0	0.09	
+399	H12	SLES	1	-16.6765	-8.58839	7.80693	HAL3	396	0	0	0	0.09	
+400	NA	SLES	1	-36.2046	20.8507	14.372	NA	0	0	0	0	1	
+401	S	SLES	1	-35.0513	22.0228	11.1091	SL	402	403	404	405	1.33	
+402	OS1	SLES	1	-34.2586	20.8747	12.0369	OSL	401	406	0	0	-0.28	
+403	OS2	SLES	1	-36.3865	21.5111	10.8791	O2L	401	0	0	0	-0.65	
+404	OS3	SLES	1	-35.1162	23.2209	11.9197	O2L	401	0	0	0	-0.65	
+405	OS4	SLES	1	-34.4088	22.3193	9.83875	O2L	401	0	0	0	-0.65	
+406	C2	SLES	1	-33.152	20.2541	11.2556	CC32A	402	407	408	409	-0.11	
+407	H2A	SLES	1	-33.5399	19.8243	10.2903	HCA2	406	0	0	0	0.09	
+408	H2B	SLES	1	-32.3911	21.0491	11.0207	HCA2	406	0	0	0	0.09	
+409	C1	SLES	1	-32.4722	19.0955	12.1282	CC32A	406	410	411	412	-0.01	
+410	H1B	SLES	1	-33.2425	18.3519	12.4369	HCA2	409	0	0	0	0.09	
+411	H1A	SLES	1	-32.0075	19.5323	13.0429	HCA2	409	0	0	0	0.09	
+412	O1	SLES	1	-31.4098	18.2539	11.5443	OC30A	409	413	0	0	-0.34	
+413	C2	SLES	1	-30.7562	18.766	10.364	CC32A	412	414	415	416	-0.01	
+414	H2A	SLES	1	-31.6023	18.8427	9.65322	HCA2	413	0	0	0	0.09	
+415	H2B	SLES	1	-30.4593	19.7912	10.6802	HCA2	413	0	0	0	0.09	
+416	C1	SLES	1	-29.5508	18.0635	9.66351	CC32A	413	417	418	419	-0.01	
+417	H1B	SLES	1	-29.925	17.3671	8.88179	HCA2	416	0	0	0	0.09	
+418	H1A	SLES	1	-28.9114	18.8293	9.18032	HCA2	416	0	0	0	0.09	
+419	O1	SLES	1	-28.6184	17.1791	10.3646	OC30A	416	420	0	0	-0.34	
+420	C1	SLES	1	-27.2487	17.1589	9.81914	CTL2	419	421	422	423	-0.18	
+421	H11	SLES	1	-27.2744	17.6957	8.85358	HAL2	420	0	0	0	0.09	
+422	H12	SLES	1	-26.7107	17.7853	10.5603	HAL2	420	0	0	0	0.09	
+423	C2	SLES	1	-26.4992	15.7797	9.63911	CTL2	420	424	425	426	-0.18	
+424	H21	SLES	1	-27.1808	14.9526	9.93934	HAL2	423	0	0	0	0.09	
+425	H22	SLES	1	-25.6159	15.7576	10.3142	HAL2	423	0	0	0	0.09	
+426	C3	SLES	1	-26.0135	15.5362	8.12808	CTL2	423	427	428	429	-0.18	
+427	H31	SLES	1	-26.6967	14.8043	7.64247	HAL2	426	0	0	0	0.09	
+428	H32	SLES	1	-26.0835	16.4899	7.56792	HAL2	426	0	0	0	0.09	
+429	C4	SLES	1	-24.5275	14.9927	8.03466	CTL2	426	430	431	432	-0.18	
+430	H41	SLES	1	-24.5558	13.9008	7.83692	HAL2	429	0	0	0	0.09	
+431	H42	SLES	1	-24.0191	15.1509	9.01009	HAL2	429	0	0	0	0.09	
+432	C5	SLES	1	-23.6822	15.7096	6.88739	CTL2	429	433	434	435	-0.18	
+433	H51	SLES	1	-24.3807	16.2041	6.17682	HAL2	432	0	0	0	0.09	
+434	H52	SLES	1	-23.0448	16.4996	7.34636	HAL2	432	0	0	0	0.09	
+435	C6	SLES	1	-22.7635	14.7111	6.08708	CTL2	432	436	437	438	-0.18	
+436	H61	SLES	1	-23.4021	14.0735	5.43539	HAL2	435	0	0	0	0.09	
+437	H62	SLES	1	-22.0791	15.2966	5.42955	HAL2	435	0	0	0	0.09	
+438	C7	SLES	1	-21.9107	13.7935	7.01927	CTL2	435	439	440	441	-0.18	
+439	H71	SLES	1	-22.5412	12.9464	7.36982	HAL2	438	0	0	0	0.09	
+440	H72	SLES	1	-21.5921	14.3768	7.91171	HAL2	438	0	0	0	0.09	
+441	C8	SLES	1	-20.6546	13.2266	6.31186	CTL2	438	442	443	444	-0.18	
+442	H81	SLES	1	-20.9451	12.8407	5.30782	HAL2	441	0	0	0	0.09	
+443	H82	SLES	1	-19.9178	14.0488	6.16454	HAL2	441	0	0	0	0.09	
+444	C9	SLES	1	-19.9855	12.0856	7.11848	CTL2	441	445	446	447	-0.18	
+445	H91	SLES	1	-20.7315	11.2769	7.29086	HAL2	444	0	0	0	0.09	
+446	H92	SLES	1	-19.6704	12.4794	8.11103	HAL2	444	0	0	0	0.09	
+447	C10	SLES	1	-18.7532	11.4894	6.39775	CTL2	444	448	449	450	-0.18	
+448	H10	SLES	1	-19.0725	11.0744	5.4146	HAL2	447	0	0	0	0.09	
+449	H10	SLES	1	-18.0162	12.3017	6.20525	HAL2	447	0	0	0	0.09	
+450	C11	SLES	1	-18.0674	10.368	7.2224	CTL2	447	451	452	453	-0.18	
+451	H11	SLES	1	-18.8065	9.55495	7.4064	HAL2	450	0	0	0	0.09	
+452	H11	SLES	1	-17.7662	10.7831	8.21128	HAL2	450	0	0	0	0.09	
+453	C12	SLES	1	-16.8178	9.76087	6.53362	CTL3	450	454	455	456	-0.27	
+454	H12	SLES	1	-16.9574	8.66913	6.3725	HAL3	453	0	0	0	0.09	
+455	H12	SLES	1	-15.9155	9.91326	7.1661	HAL3	453	0	0	0	0.09	
+456	H12	SLES	1	-16.6454	10.2453	5.54785	HAL3	453	0	0	0	0.09	
+457	NA	SLES	1	0.8224	43.1403	9.50385	NA	0	0	0	0	1	
+458	S	SLES	1	-0.883646	42.376	6.36447	SL	459	460	461	462	1.33	
+459	OS1	SLES	1	-0.118056	41.2383	7.32719	OSL	458	463	0	0	-0.28	
+460	OS2	SLES	1	-1.88559	43.0081	7.19757	O2L	458	0	0	0	-0.65	
+461	OS3	SLES	1	0.131235	43.3412	5.99702	O2L	458	0	0	0	-0.65	
+462	OS4	SLES	1	-1.50569	41.8323	5.16783	O2L	458	0	0	0	-0.65	
+463	C2	SLES	1	-0.415238	39.863	6.83661	CC32A	459	464	465	466	-0.11	
+464	H2A	SLES	1	-1.52658	39.6925	6.78169	HCA2	463	0	0	0	0.09	
+465	H2B	SLES	1	0.0222038	39.7491	5.80612	HCA2	463	0	0	0	0.09	
+466	C1	SLES	1	0.247277	38.7924	7.82694	CC32A	463	467	468	469	-0.01	
+467	H1B	SLES	1	-0.118209	38.9604	8.86617	HCA2	466	0	0	0	0.09	
+468	H1A	SLES	1	1.35699	38.8998	7.81461	HCA2	466	0	0	0	0.09	
+469	O1	SLES	1	0.0169625	37.3494	7.62047	OC30A	466	470	0	0	-0.34	
+470	C2	SLES	1	-0.456655	36.9515	6.31666	CC32A	469	471	472	473	-0.01	
+471	H2A	SLES	1	-1.41979	37.4946	6.25128	HCA2	470	0	0	0	0.09	
+472	H2B	SLES	1	0.277017	37.4391	5.63599	HCA2	470	0	0	0	0.09	
+473	C1	SLES	1	-0.666757	35.4663	5.88379	CC32A	470	474	475	476	-0.01	
+474	H1B	SLES	1	-1.70893	35.1531	6.11138	HCA2	473	0	0	0	0.09	
+475	H1A	SLES	1	-0.499374	35.3763	4.79178	HCA2	473	0	0	0	0.09	
+476	O1	SLES	1	0.0683415	34.3461	6.47333	OC30A	473	477	0	0	-0.34	
+477	C1	SLES	1	0.2853	33.1995	5.57207	CTL2	476	478	479	480	-0.18	
+478	H11	SLES	1	-0.336328	33.3685	4.67419	HAL2	477	0	0	0	0.09	
+479	H12	SLES	1	1.35156	33.3377	5.29774	HAL2	477	0	0	0	0.09	
+480	C2	SLES	1	0.0560771	31.7305	6.10672	CTL2	477	481	482	483	-0.18	
+481	H21	SLES	1	-0.300189	31.7775	7.16013	HAL2	480	0	0	0	0.09	
+482	H22	SLES	1	1.02616	31.187	6.09726	HAL2	480	0	0	0	0.09	
+483	C3	SLES	1	-1.01268	30.9158	5.22784	CTL2	480	484	485	486	-0.18	
+484	H31	SLES	1	-1.9764	30.8698	5.78229	HAL2	483	0	0	0	0.09	
+485	H32	SLES	1	-1.19167	31.4611	4.2798	HAL2	483	0	0	0	0.09	
+486	C4	SLES	1	-0.542299	29.4401	4.89142	CTL2	483	487	488	489	-0.18	
+487	H41	SLES	1	-1.07081	28.7321	5.56347	HAL2	486	0	0	0	0.09	
+488	H42	SLES	1	0.54767	29.3505	5.08885	HAL2	486	0	0	0	0.09	
+489	C5	SLES	1	-0.829373	29.0343	3.3756	CTL2	486	490	491	492	-0.18	
+490	H51	SLES	1	-1.58502	29.731	2.95007	HAL2	489	0	0	0	0.09	
+491	H52	SLES	1	0.109291	29.1461	2.78623	HAL2	489	0	0	0	0.09	
+492	C6	SLES	1	-1.35599	27.5573	3.22481	CTL2	489	493	494	495	-0.18	
+493	H61	SLES	1	-2.40217	27.5049	3.60142	HAL2	492	0	0	0	0.09	
+494	H62	SLES	1	-1.36667	27.2854	2.14343	HAL2	492	0	0	0	0.09	
+495	C7	SLES	1	-0.482857	26.5211	4.0008	CTL2	492	496	497	498	-0.18	
+496	H71	SLES	1	-0.779901	26.5271	5.07295	HAL2	495	0	0	0	0.09	
+497	H72	SLES	1	0.585475	26.8263	3.93862	HAL2	495	0	0	0	0.09	
+498	C8	SLES	1	-0.629961	25.0824	3.44593	CTL2	495	499	500	501	-0.18	
+499	H81	SLES	1	-1.71104	24.859	3.29506	HAL2	498	0	0	0	0.09	
+500	H82	SLES	1	-0.124369	25.0209	2.45536	HAL2	498	0	0	0	0.09	
+501	C9	SLES	1	-0.020463	24.0179	4.39239	CTL2	498	502	503	504	-0.18	
+502	H91	SLES	1	-0.505851	24.0998	5.39141	HAL2	501	0	0	0	0.09	
+503	H92	SLES	1	1.06582	24.2256	4.52034	HAL2	501	0	0	0	0.09	
+504	C10	SLES	1	-0.199487	22.5759	3.86154	CTL2	501	505	506	507	-0.18	
+505	H10	SLES	1	-1.28707	22.3597	3.75559	HAL2	504	0	0	0	0.09	
+506	H10	SLES	1	0.266314	22.4992	2.85299	HAL2	504	0	0	0	0.09	
+507	C11	SLES	1	0.439068	21.5149	4.79667	CTL2	504	508	509	510	-0.18	
+508	H11	SLES	1	-0.0348915	21.591	5.802	HAL2	507	0	0	0	0.09	
+509	H11	SLES	1	1.52256	21.7456	4.91384	HAL2	507	0	0	0	0.09	
+510	C12	SLES	1	0.290858	20.0591	4.28333	CTL3	507	511	512	513	-0.27	
+511	H12	SLES	1	-0.262067	19.442	5.02547	HAL3	510	0	0	0	0.09	
+512	H12	SLES	1	1.29219	19.6034	4.11913	HAL3	510	0	0	0	0.09	
+513	H12	SLES	1	-0.267871	20.0426	3.32225	HAL3	510	0	0	0	0.09	
+514	NA	SLES	1	38.1359	22.1641	2.54621	NA	0	0	0	0	1	
+515	S	SLES	1	35.2067	24.3349	2.30529	SL	516	517	518	519	1.33	
+516	OS1	SLES	1	35.1531	22.6616	2.23722	OSL	515	520	0	0	-0.28	
+517	OS2	SLES	1	35.8271	24.6725	3.56964	O2L	515	0	0	0	-0.65	
+518	OS3	SLES	1	36.0574	24.7554	1.21169	O2L	515	0	0	0	-0.65	
+519	OS4	SLES	1	33.9097	24.9841	2.20104	O2L	515	0	0	0	-0.65	
+520	C2	SLES	1	33.741	22.1881	2.28131	CC32A	516	521	522	523	-0.11	
+521	H2A	SLES	1	33.2149	22.5921	3.19084	HCA2	520	0	0	0	0.09	
+522	H2B	SLES	1	33.2114	22.5578	1.35986	HCA2	520	0	0	0	0.09	
+523	C1	SLES	1	33.7197	20.5867	2.31166	CC32A	520	524	525	526	-0.01	
+524	H1B	SLES	1	34.3186	20.2159	3.17512	HCA2	523	0	0	0	0.09	
+525	H1A	SLES	1	34.1594	20.1834	1.36979	HCA2	523	0	0	0	0.09	
+526	O1	SLES	1	32.4408	19.8648	2.45705	OC30A	523	527	0	0	-0.34	
+527	C2	SLES	1	31.2412	20.6114	2.16364	CC32A	526	528	529	530	-0.01	
+528	H2A	SLES	1	31.2946	21.4268	2.91135	HCA2	527	0	0	0	0.09	
+529	H2B	SLES	1	31.4613	21.0327	1.15699	HCA2	527	0	0	0	0.09	
+530	C1	SLES	1	29.808	19.9923	2.17098	CC32A	527	531	532	533	-0.01	
+531	H1B	SLES	1	29.3587	20.0984	3.18236	HCA2	530	0	0	0	0.09	
+532	H1A	SLES	1	29.1722	20.5328	1.44146	HCA2	530	0	0	0	0.09	
+533	O1	SLES	1	29.5445	18.5735	1.92498	OC30A	530	534	0	0	-0.34	
+534	C1	SLES	1	28.2395	18.2802	1.30471	CTL2	533	535	536	537	-0.18	
+535	H11	SLES	1	27.6491	19.214	1.33057	HAL2	534	0	0	0	0.09	
+536	H12	SLES	1	28.5385	18.0773	0.255563	HAL2	534	0	0	0	0.09	
+537	C2	SLES	1	27.3644	17.0844	1.85294	CTL2	534	538	539	540	-0.18	
+538	H21	SLES	1	27.8835	16.6213	2.72178	HAL2	537	0	0	0	0.09	
+539	H22	SLES	1	27.2702	16.3117	1.05877	HAL2	537	0	0	0	0.09	
+540	C3	SLES	1	25.8977	17.5535	2.30794	CTL2	537	541	542	543	-0.18	
+541	H31	SLES	1	25.8618	17.6001	3.41917	HAL2	540	0	0	0	0.09	
+542	H32	SLES	1	25.7076	18.5736	1.91864	HAL2	540	0	0	0	0.09	
+543	C4	SLES	1	24.7511	16.5859	1.79674	CTL2	540	544	545	546	-0.18	
+544	H41	SLES	1	24.4281	15.9359	2.63654	HAL2	543	0	0	0	0.09	
+545	H42	SLES	1	25.1559	15.9324	0.99417	HAL2	543	0	0	0	0.09	
+546	C5	SLES	1	23.4861	17.377	1.23211	CTL2	543	547	548	549	-0.18	
+547	H51	SLES	1	23.5179	18.4251	1.60336	HAL2	546	0	0	0	0.09	
+548	H52	SLES	1	23.5433	17.406	0.119987	HAL2	546	0	0	0	0.09	
+549	C6	SLES	1	22.1157	16.727	1.65768	CTL2	546	550	551	552	-0.18	
+550	H61	SLES	1	21.9463	16.9147	2.74172	HAL2	549	0	0	0	0.09	
+551	H62	SLES	1	21.2905	17.2186	1.09135	HAL2	549	0	0	0	0.09	
+552	C7	SLES	1	22.0674	15.1888	1.39349	CTL2	549	553	554	555	-0.18	
+553	H71	SLES	1	22.5859	14.6614	2.22468	HAL2	552	0	0	0	0.09	
+554	H72	SLES	1	22.6137	14.9641	0.450392	HAL2	552	0	0	0	0.09	
+555	C8	SLES	1	20.6203	14.648	1.27966	CTL2	552	556	557	558	-0.18	
+556	H81	SLES	1	20.0097	15.0631	2.11406	HAL2	555	0	0	0	0.09	
+557	H82	SLES	1	20.1754	14.9981	0.320417	HAL2	555	0	0	0	0.09	
+558	C9	SLES	1	20.5611	13.1007	1.33036	CTL2	555	559	560	561	-0.18	
+559	H91	SLES	1	21.0328	12.75	2.27634	HAL2	558	0	0	0	0.09	
+560	H92	SLES	1	21.1485	12.687	0.479856	HAL2	558	0	0	0	0.09	
+561	C10	SLES	1	19.1146	12.5568	1.25649	CTL2	558	562	563	564	-0.18	
+562	H10	SLES	1	18.533	12.9519	2.12042	HAL2	561	0	0	0	0.09	
+563	H10	SLES	1	18.6349	12.9252	0.321518	HAL2	561	0	0	0	0.09	
+564	C11	SLES	1	19.0611	11.0061	1.27652	CTL2	561	565	566	567	-0.18	
+565	H11	SLES	1	19.5359	10.6429	2.21661	HAL2	564	0	0	0	0.09	
+566	H11	SLES	1	19.6588	10.6155	0.421467	HAL2	564	0	0	0	0.09	
+567	C12	SLES	1	17.6246	10.4291	1.18694	CTL3	564	568	569	570	-0.27	
+568	H12	SLES	1	17.4018	9.80621	2.08123	HAL3	567	0	0	0	0.09	
+569	H12	SLES	1	17.5184	9.79585	0.278593	HAL3	567	0	0	0	0.09	
+570	H12	SLES	1	16.8793	11.2524	1.13403	HAL3	567	0	0	0	0.09	
+571	NA	SLES	1	39.7082	-18.8357	-4.53388	NA	0	0	0	0	1	
+572	S	SLES	1	39.4996	-16.5509	-1.69013	SL	573	574	575	576	1.33	
+573	OS1	SLES	1	38.2605	-16.8126	-2.78709	OSL	572	577	0	0	-0.28	
+574	OS2	SLES	1	39.8177	-17.8426	-1.11752	O2L	572	0	0	0	-0.65	
+575	OS3	SLES	1	40.6242	-16.064	-2.46142	O2L	572	0	0	0	-0.65	
+576	OS4	SLES	1	39.1788	-15.6058	-0.632654	O2L	572	0	0	0	-0.65	
+577	C2	SLES	1	37.0086	-16.1542	-2.31842	CC32A	573	578	579	580	-0.11	
+578	H2A	SLES	1	36.739	-16.5049	-1.28327	HCA2	577	0	0	0	0.09	
+579	H2B	SLES	1	37.1777	-15.042	-2.29381	HCA2	577	0	0	0	0.09	
+580	C1	SLES	1	35.8174	-16.4981	-3.33258	CC32A	577	581	582	583	-0.01	
+581	H1B	SLES	1	35.7062	-17.6029	-3.42622	HCA2	580	0	0	0	0.09	
+582	H1A	SLES	1	36.0409	-16.0729	-4.33878	HCA2	580	0	0	0	0.09	
+583	O1	SLES	1	34.4426	-16.047	-3.04187	OC30A	580	584	0	0	-0.34	
+584	C2	SLES	1	34.3027	-14.9847	-2.07521	CC32A	583	585	586	587	-0.01	
+585	H2A	SLES	1	34.7421	-15.4454	-1.16882	HCA2	584	0	0	0	0.09	
+586	H2B	SLES	1	35.0061	-14.2138	-2.46275	HCA2	584	0	0	0	0.09	
+587	C1	SLES	1	32.9405	-14.3152	-1.70996	CC32A	584	588	589	590	-0.01	
+588	H1B	SLES	1	32.476	-14.8522	-0.85442	HCA2	587	0	0	0	0.09	
+589	H1A	SLES	1	33.1182	-13.2619	-1.41381	HCA2	587	0	0	0	0.09	
+590	O1	SLES	1	31.7995	-14.2638	-2.62564	OC30A	587	591	0	0	-0.34	
+591	C1	SLES	1	30.9162	-13.0955	-2.45613	CTL2	590	592	593	594	-0.18	
+592	H11	SLES	1	31.2178	-12.592	-1.51983	HAL2	591	0	0	0	0.09	
+593	H12	SLES	1	31.2243	-12.464	-3.31491	HAL2	591	0	0	0	0.09	
+594	C2	SLES	1	29.3486	-13.292	-2.47121	CTL2	591	595	596	597	-0.18	
+595	H21	SLES	1	29.118	-14.3755	-2.57943	HAL2	594	0	0	0	0.09	
+596	H22	SLES	1	28.9264	-12.7623	-3.35316	HAL2	594	0	0	0	0.09	
+597	C3	SLES	1	28.6463	-12.7373	-1.13795	CTL2	594	598	599	600	-0.18	
+598	H31	SLES	1	28.3748	-13.5985	-0.487544	HAL2	597	0	0	0	0.09	
+599	H32	SLES	1	29.3702	-12.1075	-0.583437	HAL2	597	0	0	0	0.09	
+600	C4	SLES	1	27.3429	-11.8849	-1.43262	CTL2	597	601	602	603	-0.18	
+601	H41	SLES	1	26.4496	-12.5116	-1.2292	HAL2	600	0	0	0	0.09	
+602	H42	SLES	1	27.3261	-11.6036	-2.50763	HAL2	600	0	0	0	0.09	
+603	C5	SLES	1	27.263	-10.5592	-0.548863	CTL2	600	604	605	606	-0.18	
+604	H51	SLES	1	27.9546	-10.6578	0.316901	HAL2	603	0	0	0	0.09	
+605	H52	SLES	1	27.6035	-9.69362	-1.16187	HAL2	603	0	0	0	0.09	
+606	C6	SLES	1	25.8117	-10.2666	-0.0110433	CTL2	603	607	608	609	-0.18	
+607	H61	SLES	1	25.5656	-11.002	0.787615	HAL2	606	0	0	0	0.09	
+608	H62	SLES	1	25.7921	-9.24815	0.442534	HAL2	606	0	0	0	0.09	
+609	C7	SLES	1	24.7244	-10.3461	-1.12897	CTL2	606	610	611	612	-0.18	
+610	H71	SLES	1	24.4561	-11.4123	-1.299	HAL2	609	0	0	0	0.09	
+611	H72	SLES	1	25.1463	-9.94272	-2.07638	HAL2	609	0	0	0	0.09	
+612	C8	SLES	1	23.4413	-9.55539	-0.770852	CTL2	609	613	614	615	-0.18	
+613	H81	SLES	1	23.1455	-9.79611	0.276013	HAL2	612	0	0	0	0.09	
+614	H82	SLES	1	23.6594	-8.46442	-0.824631	HAL2	612	0	0	0	0.09	
+615	C9	SLES	1	22.2604	-9.88308	-1.71863	CTL2	612	616	617	618	-0.18	
+616	H91	SLES	1	22.0624	-10.9786	-1.68669	HAL2	615	0	0	0	0.09	
+617	H92	SLES	1	22.5468	-9.61612	-2.76086	HAL2	615	0	0	0	0.09	
+618	C10	SLES	1	20.9654	-9.12547	-1.3413	CTL2	615	619	620	621	-0.18	
+619	H10	SLES	1	20.6657	-9.41025	-0.306953	HAL2	618	0	0	0	0.09	
+620	H10	SLES	1	21.1685	-8.03063	-1.35146	HAL2	618	0	0	0	0.09	
+621	C11	SLES	1	19.7934	-9.43247	-2.3109	CTL2	618	622	623	624	-0.18	
+622	H11	SLES	1	19.5896	-10.5276	-2.29198	HAL2	621	0	0	0	0.09	
+623	H11	SLES	1	20.1043	-9.16287	-3.34608	HAL2	621	0	0	0	0.09	
+624	C12	SLES	1	18.4844	-8.67466	-1.9689	CTL3	621	625	626	627	-0.27	
+625	H12	SLES	1	17.6607	-9.39566	-1.77177	HAL3	624	0	0	0	0.09	
+626	H12	SLES	1	18.1856	-8.01787	-2.81546	HAL3	624	0	0	0	0.09	
+627	H12	SLES	1	18.6273	-8.04398	-1.06448	HAL3	624	0	0	0	0.09	
+628	NA	SLES	1	7.9743	-42.3663	-9.67424	NA	0	0	0	0	1	
+629	S	SLES	1	6.63316	-41.8709	-6.31174	SL	630	631	632	633	1.33	
+630	OS1	SLES	1	7.00635	-40.6304	-7.37432	OSL	629	634	0	0	-0.28	
+631	OS2	SLES	1	5.66513	-42.7099	-6.98737	O2L	629	0	0	0	-0.65	
+632	OS3	SLES	1	7.86267	-42.607	-6.10414	O2L	629	0	0	0	-0.65	
+633	OS4	SLES	1	6.09913	-41.4293	-5.03339	O2L	629	0	0	0	-0.65	
+634	C2	SLES	1	6.51734	-39.3283	-6.83979	CC32A	630	635	636	637	-0.11	
+635	H2A	SLES	1	5.41485	-39.3789	-6.61817	HCA2	634	0	0	0	0.09	
+636	H2B	SLES	1	7.0707	-39.1032	-5.88618	HCA2	634	0	0	0	0.09	
+637	C1	SLES	1	6.79995	-38.1746	-7.91445	CC32A	634	638	639	640	-0.01	
+638	H1B	SLES	1	6.32576	-38.4386	-8.88769	HCA2	637	0	0	0	0.09	
+639	H1A	SLES	1	7.89825	-38.0607	-8.06912	HCA2	637	0	0	0	0.09	
+640	O1	SLES	1	6.32028	-36.8004	-7.6706	OC30A	637	641	0	0	-0.34	
+641	C2	SLES	1	5.97486	-36.4694	-6.30908	CC32A	640	642	643	644	-0.01	
+642	H2A	SLES	1	5.15945	-37.1898	-6.10191	HCA2	641	0	0	0	0.09	
+643	H2B	SLES	1	6.8832	-36.7846	-5.74792	HCA2	641	0	0	0	0.09	
+644	C1	SLES	1	5.53982	-35.0439	-5.84427	CC32A	641	645	646	647	-0.01	
+645	H1B	SLES	1	4.43421	-34.9485	-5.91182	HCA2	644	0	0	0	0.09	
+646	H1A	SLES	1	5.84538	-34.8939	-4.78941	HCA2	644	0	0	0	0.09	
+647	O1	SLES	1	5.94208	-33.8167	-6.53339	OC30A	644	648	0	0	-0.34	
+648	C1	SLES	1	6.05733	-32.6265	-5.67077	CTL2	647	649	650	651	-0.18	
+649	H11	SLES	1	5.62133	-32.891	-4.69041	HAL2	648	0	0	0	0.09	
+650	H12	SLES	1	7.15836	-32.5445	-5.55999	HAL2	648	0	0	0	0.09	
+651	C2	SLES	1	5.46407	-31.2462	-6.15972	CTL2	648	652	653	654	-0.18	
+652	H21	SLES	1	4.97265	-31.3902	-7.14793	HAL2	651	0	0	0	0.09	
+653	H22	SLES	1	6.29718	-30.522	-6.29394	HAL2	651	0	0	0	0.09	
+654	C3	SLES	1	4.3964	-30.6353	-5.12755	CTL2	651	655	656	657	-0.18	
+655	H31	SLES	1	3.37168	-30.7949	-5.53099	HAL2	654	0	0	0	0.09	
+656	H32	SLES	1	4.47151	-31.1801	-4.16535	HAL2	654	0	0	0	0.09	
+657	C4	SLES	1	4.60826	-29.0874	-4.86021	CTL2	654	658	659	660	-0.18	
+658	H41	SLES	1	3.85614	-28.5156	-5.44284	HAL2	657	0	0	0	0.09	
+659	H42	SLES	1	5.61726	-28.79	-5.21858	HAL2	657	0	0	0	0.09	
+660	C5	SLES	1	4.47332	-28.7064	-3.31703	CTL2	657	661	662	663	-0.18	
+661	H51	SLES	1	3.94268	-29.527	-2.78547	HAL2	660	0	0	0	0.09	
+662	H52	SLES	1	5.49201	-28.6153	-2.87554	HAL2	660	0	0	0	0.09	
+663	C6	SLES	1	3.69161	-27.3589	-3.08366	CTL2	660	664	665	666	-0.18	
+664	H61	SLES	1	2.612	-27.5238	-3.29889	HAL2	663	0	0	0	0.09	
+665	H62	SLES	1	3.7869	-27.066	-2.01194	HAL2	663	0	0	0	0.09	
+666	C7	SLES	1	4.21677	-26.1917	-3.97813	CTL2	663	667	668	669	-0.18	
+667	H71	SLES	1	3.7718	-26.2843	-4.9936	HAL2	666	0	0	0	0.09	
+668	H72	SLES	1	5.32168	-26.2784	-4.078	HAL2	666	0	0	0	0.09	
+669	C8	SLES	1	3.87002	-24.796	-3.40231	CTL2	666	670	671	672	-0.18	
+670	H81	SLES	1	2.8005	-24.7863	-3.09018	HAL2	669	0	0	0	0.09	
+671	H82	SLES	1	4.49395	-24.61	-2.49858	HAL2	669	0	0	0	0.09	
+672	C9	SLES	1	4.10897	-23.6576	-4.42567	CTL2	669	673	674	675	-0.18	
+673	H91	SLES	1	3.50743	-23.8599	-5.34086	HAL2	672	0	0	0	0.09	
+674	H92	SLES	1	5.18378	-23.6503	-4.71587	HAL2	672	0	0	0	0.09	
+675	C10	SLES	1	3.72709	-22.2657	-3.86881	CTL2	672	676	677	678	-0.18	
+676	H10	SLES	1	2.64607	-22.2656	-3.60013	HAL2	675	0	0	0	0.09	
+677	H10	SLES	1	4.31209	-22.0721	-2.94127	HAL2	675	0	0	0	0.09	
+678	C11	SLES	1	3.99654	-21.1246	-4.88534	CTL2	675	679	680	681	-0.18	
+679	H11	SLES	1	3.40401	-21.3192	-5.80846	HAL2	678	0	0	0	0.09	
+680	H11	SLES	1	5.07485	-21.1402	-5.16454	HAL2	678	0	0	0	0.09	
+681	C12	SLES	1	3.63922	-19.7137	-4.35036	CTL3	678	682	683	684	-0.27	
+682	H12	SLES	1	2.87115	-19.2376	-4.99895	HAL3	681	0	0	0	0.09	
+683	H12	SLES	1	4.54292	-19.0653	-4.3366	HAL3	681	0	0	0	0.09	
+684	H12	SLES	1	3.23658	-19.7823	-3.31629	HAL3	681	0	0	0	0.09	
+685	NA	SLES	1	-29.9519	-29.9267	-12.6237	NA	0	0	0	0	1	
+686	S	SLES	1	-31.4179	-26.7246	-11.6502	SL	687	688	689	690	1.33	
+687	OS1	SLES	1	-29.7848	-27.0866	-11.5533	OSL	686	691	0	0	-0.28	
+688	OS2	SLES	1	-31.7957	-26.9101	-13.0359	O2L	686	0	0	0	-0.65	
+689	OS3	SLES	1	-32.0962	-27.6982	-10.8204	O2L	686	0	0	0	-0.65	
+690	OS4	SLES	1	-31.7637	-25.3798	-11.2183	O2L	686	0	0	0	-0.65	
+691	C2	SLES	1	-29.0033	-25.8617	-11.223	CC32A	687	692	693	694	-0.11	
+692	H2A	SLES	1	-29.2124	-25.0443	-11.9681	HCA2	691	0	0	0	0.09	
+693	H2B	SLES	1	-29.3087	-25.5083	-10.1992	HCA2	691	0	0	0	0.09	
+694	C1	SLES	1	-27.4403	-26.2123	-11.2302	CC32A	691	695	696	697	-0.01	
+695	H1B	SLES	1	-27.1536	-26.6456	-12.2161	HCA2	694	0	0	0	0.09	
+696	H1A	SLES	1	-27.2146	-26.9566	-10.4314	HCA2	694	0	0	0	0.09	
+697	O1	SLES	1	-26.4402	-25.1458	-11.0299	OC30A	694	698	0	0	-0.34	
+698	C2	SLES	1	-26.916	-23.9169	-10.4418	CC32A	697	699	700	701	-0.01	
+699	H2A	SLES	1	-27.6671	-23.5869	-11.1859	HCA2	698	0	0	0	0.09	
+700	H2B	SLES	1	-27.4468	-24.2765	-9.53163	HCA2	698	0	0	0	0.09	
+701	C1	SLES	1	-25.9909	-22.7159	-10.069	CC32A	698	702	703	704	-0.01	
+702	H1B	SLES	1	-25.9207	-22.0153	-10.9294	HCA2	701	0	0	0	0.09	
+703	H1A	SLES	1	-26.4247	-22.1743	-9.20463	HCA2	701	0	0	0	0.09	
+704	O1	SLES	1	-24.5705	-22.8654	-9.74825	OC30A	701	705	0	0	-0.34	
+705	C1	SLES	1	-24.0354	-21.8651	-8.80636	CTL2	704	706	707	708	-0.18	
+706	H11	SLES	1	-24.8078	-21.0838	-8.68711	HAL2	705	0	0	0	0.09	
+707	H12	SLES	1	-23.9804	-22.4569	-7.86933	HAL2	705	0	0	0	0.09	
+708	C2	SLES	1	-22.6372	-21.1886	-9.09529	CTL2	705	709	710	711	-0.18	
+709	H21	SLES	1	-22.2423	-21.5673	-10.0646	HAL2	708	0	0	0	0.09	
+710	H22	SLES	1	-21.9217	-21.4819	-8.29609	HAL2	708	0	0	0	0.09	
+711	C3	SLES	1	-22.7299	-19.5867	-9.15719	CTL2	708	712	713	714	-0.18	
+712	H31	SLES	1	-22.688	-19.2632	-10.2211	HAL2	711	0	0	0	0.09	
+713	H32	SLES	1	-23.7059	-19.265	-8.74235	HAL2	711	0	0	0	0.09	
+714	C4	SLES	1	-21.5677	-18.8671	-8.35494	CTL2	711	715	716	717	-0.18	
+715	H41	SLES	1	-20.8035	-18.5067	-9.07481	HAL2	714	0	0	0	0.09	
+716	H42	SLES	1	-21.0811	-19.6028	-7.67887	HAL2	714	0	0	0	0.09	
+717	C5	SLES	1	-22.0913	-17.6343	-7.48837	CTL2	714	718	719	720	-0.18	
+718	H51	SLES	1	-23.0905	-17.3235	-7.86587	HAL2	717	0	0	0	0.09	
+719	H52	SLES	1	-22.2116	-17.9602	-6.42993	HAL2	717	0	0	0	0.09	
+720	C6	SLES	1	-21.1205	-16.3947	-7.53545	CTL2	717	721	722	723	-0.18	
+721	H61	SLES	1	-21.1875	-15.9193	-8.53976	HAL2	720	0	0	0	0.09	
+722	H62	SLES	1	-21.4525	-15.6459	-6.77874	HAL2	720	0	0	0	0.09	
+723	C7	SLES	1	-19.6338	-16.7789	-7.25194	CTL2	720	724	725	726	-0.18	
+724	H71	SLES	1	-19.1792	-17.1817	-8.18404	HAL2	723	0	0	0	0.09	
+725	H72	SLES	1	-19.6059	-17.5814	-6.48151	HAL2	723	0	0	0	0.09	
+726	C8	SLES	1	-18.7903	-15.5767	-6.7594	CTL2	723	727	728	729	-0.18	
+727	H81	SLES	1	-18.9966	-14.6961	-7.4101	HAL2	726	0	0	0	0.09	
+728	H82	SLES	1	-19.0984	-15.317	-5.72103	HAL2	726	0	0	0	0.09	
+729	C9	SLES	1	-17.2698	-15.8739	-6.77696	CTL2	726	730	731	732	-0.18	
+730	H91	SLES	1	-16.9681	-16.1622	-7.80952	HAL2	729	0	0	0	0.09	
+731	H92	SLES	1	-17.0609	-16.7364	-6.10469	HAL2	729	0	0	0	0.09	
+732	C10	SLES	1	-16.4206	-14.663	-6.32316	CTL2	729	733	734	735	-0.18	
+733	H10	SLES	1	-16.6118	-13.8069	-7.0097	HAL2	732	0	0	0	0.09	
+734	H10	SLES	1	-16.7369	-14.3602	-5.29932	HAL2	732	0	0	0	0.09	
+735	C11	SLES	1	-14.9003	-14.974	-6.31256	CTL2	732	736	737	738	-0.18	
+736	H11	SLES	1	-14.5875	-15.2697	-7.3401	HAL2	735	0	0	0	0.09	
+737	H11	SLES	1	-14.7164	-15.8419	-5.63882	HAL2	735	0	0	0	0.09	
+738	C12	SLES	1	-14.0222	-13.7842	-5.84582	CTL3	735	739	740	741	-0.27	
+739	H12	SLES	1	-13.3031	-13.4979	-6.6447	HAL3	738	0	0	0	0.09	
+740	H12	SLES	1	-13.4477	-14.0619	-4.93469	HAL3	738	0	0	0	0.09	
+741	H12	SLES	1	-14.6579	-12.9034	-5.60903	HAL3	738	0	0	0	0.09	
+742	NA	SLES	1	-40.0515	10.811	-15.2015	NA	0	0	0	0	1	
+743	S	SLES	1	-37.3206	12.357	-17.0731	SL	744	745	746	747	1.33	
+744	OS1	SLES	1	-37.1137	11.401	-15.7127	OSL	743	748	0	0	-0.28	
+745	OS2	SLES	1	-38.0313	11.5447	-18.0388	O2L	743	0	0	0	-0.65	
+746	OS3	SLES	1	-38.1499	13.4701	-16.6608	O2L	743	0	0	0	-0.65	
+747	OS4	SLES	1	-36.0836	12.8511	-17.6562	O2L	743	0	0	0	-0.65	
+748	C2	SLES	1	-35.6687	11.1002	-15.5081	CC32A	744	749	750	751	-0.11	
+749	H2A	SLES	1	-35.2272	10.6273	-16.4293	HCA2	748	0	0	0	0.09	
+750	H2B	SLES	1	-35.129	12.0654	-15.2997	HCA2	748	0	0	0	0.09	
+751	C1	SLES	1	-35.5052	10.1088	-14.2607	CC32A	748	752	753	754	-0.01	
+752	H1B	SLES	1	-36.1109	9.18814	-14.4262	HCA2	751	0	0	0	0.09	
+753	H1A	SLES	1	-35.8593	10.609	-13.3293	HCA2	751	0	0	0	0.09	
+754	O1	SLES	1	-34.1756	9.57524	-13.9068	OC30A	751	755	0	0	-0.34	
+755	C2	SLES	1	-33.0346	10.2775	-14.4432	CC32A	754	756	757	758	-0.01	
+756	H2A	SLES	1	-33.1984	10.1737	-15.5337	HCA2	755	0	0	0	0.09	
+757	H2B	SLES	1	-33.2411	11.3309	-14.1481	HCA2	755	0	0	0	0.09	
+758	C1	SLES	1	-31.5538	9.91834	-14.1033	CC32A	755	759	760	761	-0.01	
+759	H1B	SLES	1	-31.167	9.18323	-14.8423	HCA2	758	0	0	0	0.09	
+760	H1A	SLES	1	-30.9334	10.8353	-14.1565	HCA2	758	0	0	0	0.09	
+761	O1	SLES	1	-31.1521	9.26089	-12.8586	OC30A	758	762	0	0	-0.34	
+762	C1	SLES	1	-29.7966	9.59672	-12.3856	CTL2	761	763	764	765	-0.18	
+763	H11	SLES	1	-29.2944	10.1489	-13.2005	HAL2	762	0	0	0	0.09	
+764	H12	SLES	1	-30.0233	10.3056	-11.5626	HAL2	762	0	0	0	0.09	
+765	C2	SLES	1	-28.8462	8.45009	-11.8581	CTL2	762	766	767	768	-0.18	
+766	H21	SLES	1	-29.3644	7.47055	-11.9619	HAL2	765	0	0	0	0.09	
+767	H22	SLES	1	-28.6434	8.6173	-10.7776	HAL2	765	0	0	0	0.09	
+768	C3	SLES	1	-27.4521	8.3923	-12.6528	CTL2	765	769	770	771	-0.18	
+769	H31	SLES	1	-27.4762	7.5357	-13.3627	HAL2	768	0	0	0	0.09	
+770	H32	SLES	1	-27.3352	9.32155	-13.2453	HAL2	768	0	0	0	0.09	
+771	C4	SLES	1	-26.1991	8.23155	-11.6955	CTL2	768	772	773	774	-0.18	
+772	H41	SLES	1	-25.8615	7.17442	-11.7195	HAL2	771	0	0	0	0.09	
+773	H42	SLES	1	-26.503	8.47023	-10.6535	HAL2	771	0	0	0	0.09	
+774	C5	SLES	1	-24.9836	9.17766	-12.1104	CTL2	771	775	776	777	-0.18	
+775	H51	SLES	1	-25.1279	9.51475	-13.1606	HAL2	774	0	0	0	0.09	
+776	H52	SLES	1	-24.9875	10.0804	-11.4577	HAL2	774	0	0	0	0.09	
+777	C6	SLES	1	-23.5834	8.46575	-11.9916	CTL2	774	778	779	780	-0.18	
+778	H61	SLES	1	-23.486	7.71796	-12.8103	HAL2	777	0	0	0	0.09	
+779	H62	SLES	1	-22.7784	9.22593	-12.1236	HAL2	777	0	0	0	0.09	
+780	C7	SLES	1	-23.384	7.7475	-10.6195	CTL2	777	781	782	783	-0.18	
+781	H71	SLES	1	-23.894	6.75918	-10.6499	HAL2	780	0	0	0	0.09	
+782	H72	SLES	1	-23.8601	8.3552	-9.81798	HAL2	780	0	0	0	0.09	
+783	C8	SLES	1	-21.8903	7.5324	-10.27	CTL2	780	784	785	786	-0.18	
+784	H81	SLES	1	-21.362	7.12735	-11.1634	HAL2	783	0	0	0	0.09	
+785	H82	SLES	1	-21.4313	8.51459	-10.0147	HAL2	783	0	0	0	0.09	
+786	C9	SLES	1	-21.695	6.55794	-9.08149	CTL2	783	787	788	789	-0.18	
+787	H91	SLES	1	-22.1801	5.5856	-9.32568	HAL2	786	0	0	0	0.09	
+788	H92	SLES	1	-22.1996	6.97708	-8.18195	HAL2	786	0	0	0	0.09	
+789	C10	SLES	1	-20.2037	6.30912	-8.75357	CTL2	786	790	791	792	-0.18	
+790	H10	SLES	1	-19.7039	5.868	-9.64593	HAL2	789	0	0	0	0.09	
+791	H10	SLES	1	-19.7129	7.28354	-8.53089	HAL2	789	0	0	0	0.09	
+792	C11	SLES	1	-20.0123	5.35697	-7.54331	CTL2	789	793	794	795	-0.18	
+793	H11	SLES	1	-20.4989	4.38167	-7.77366	HAL2	792	0	0	0	0.09	
+794	H11	SLES	1	-20.529	5.79351	-6.65823	HAL2	792	0	0	0	0.09	
+795	C12	SLES	1	-18.5271	5.10051	-7.17869	CTL3	792	796	797	798	-0.27	
+796	H12	SLES	1	-18.2943	4.01493	-7.24687	HAL3	795	0	0	0	0.09	
+797	H12	SLES	1	-18.3191	5.44311	-6.14104	HAL3	795	0	0	0	0.09	
+798	H12	SLES	1	-17.857	5.65094	-7.87453	HAL3	795	0	0	0	0.09	
+799	NA	SLES	1	-7.21407	38.9448	-19.5791	NA	0	0	0	0	1	
+800	S	SLES	1	-7.75447	36.0852	-21.7885	SL	801	802	803	804	1.33	
+801	OS1	SLES	1	-7.20034	35.9716	-20.2113	OSL	800	805	0	0	-0.28	
+802	OS2	SLES	1	-9.03273	36.763	-21.7243	O2L	800	0	0	0	-0.65	
+803	OS3	SLES	1	-6.7953	36.9091	-22.494	O2L	800	0	0	0	-0.65	
+804	OS4	SLES	1	-7.90442	34.8084	-22.468	O2L	800	0	0	0	-0.65	
+805	C2	SLES	1	-7.16735	34.5465	-19.7772	CC32A	801	806	807	808	-0.11	
+806	H2A	SLES	1	-8.17828	34.0685	-19.9065	HCA2	805	0	0	0	0.09	
+807	H2B	SLES	1	-6.42016	33.9964	-20.4139	HCA2	805	0	0	0	0.09	
+808	C1	SLES	1	-6.72685	34.4712	-18.239	CC32A	805	809	810	811	-0.01	
+809	H1B	SLES	1	-7.41522	35.0884	-17.6169	HCA2	808	0	0	0	0.09	
+810	H1A	SLES	1	-5.68913	34.8618	-18.1218	HCA2	808	0	0	0	0.09	
+811	O1	SLES	1	-6.71154	33.1744	-17.5347	OC30A	808	812	0	0	-0.34	
+812	C2	SLES	1	-6.70508	31.9912	-18.3609	CC32A	811	813	814	815	-0.01	
+813	H2A	SLES	1	-7.65612	32.1002	-18.9182	HCA2	812	0	0	0	0.09	
+814	H2B	SLES	1	-5.85775	32.1885	-19.0555	HCA2	812	0	0	0	0.09	
+815	C1	SLES	1	-6.59517	30.5388	-17.7991	CC32A	812	816	817	818	-0.01	
+816	H1B	SLES	1	-7.61239	30.1309	-17.6121	HCA2	815	0	0	0	0.09	
+817	H1A	SLES	1	-6.08622	29.8956	-18.5446	HCA2	815	0	0	0	0.09	
+818	O1	SLES	1	-5.95543	30.2178	-16.5222	OC30A	815	819	0	0	-0.34	
+819	C1	SLES	1	-5.33617	28.8814	-16.4537	CTL2	818	820	821	822	-0.18	
+820	H11	SLES	1	-5.66193	28.3249	-17.3511	HAL2	819	0	0	0	0.09	
+821	H12	SLES	1	-4.26129	29.1344	-16.5627	HAL2	819	0	0	0	0.09	
+822	C2	SLES	1	-5.54798	27.9865	-15.169	CTL2	819	823	824	825	-0.18	
+823	H21	SLES	1	-6.21798	28.5209	-14.4589	HAL2	822	0	0	0	0.09	
+824	H22	SLES	1	-4.56699	27.8365	-14.6673	HAL2	822	0	0	0	0.09	
+825	C3	SLES	1	-6.1867	26.5545	-15.5153	CTL2	822	826	827	828	-0.18	
+826	H31	SLES	1	-7.26303	26.5611	-15.2329	HAL2	825	0	0	0	0.09	
+827	H32	SLES	1	-6.12327	26.3855	-16.6088	HAL2	825	0	0	0	0.09	
+828	C4	SLES	1	-5.46633	25.3572	-14.7672	CTL2	825	829	830	831	-0.18	
+829	H41	SLES	1	-6.09185	25.0431	-13.9057	HAL2	828	0	0	0	0.09	
+830	H42	SLES	1	-4.48971	25.7094	-14.3707	HAL2	828	0	0	0	0.09	
+831	C5	SLES	1	-5.21692	24.1003	-15.7173	CTL2	828	832	833	834	-0.18	
+832	H51	SLES	1	-5.87786	24.1818	-16.6083	HAL2	831	0	0	0	0.09	
+833	H52	SLES	1	-4.161	24.1175	-16.0718	HAL2	831	0	0	0	0.09	
+834	C6	SLES	1	-5.49442	22.7249	-15.0011	CTL2	831	835	836	837	-0.18	
+835	H61	SLES	1	-6.59227	22.6021	-14.8644	HAL2	834	0	0	0	0.09	
+836	H62	SLES	1	-5.1355	21.8968	-15.656	HAL2	834	0	0	0	0.09	
+837	C7	SLES	1	-4.79247	22.6139	-13.6107	CTL2	834	838	839	840	-0.18	
+838	H71	SLES	1	-5.40769	23.1442	-12.8504	HAL2	837	0	0	0	0.09	
+839	H72	SLES	1	-3.80125	23.1171	-13.6623	HAL2	837	0	0	0	0.09	
+840	C8	SLES	1	-4.59051	21.1458	-13.1597	CTL2	837	841	842	843	-0.18	
+841	H81	SLES	1	-5.53682	20.581	-13.3237	HAL2	840	0	0	0	0.09	
+842	H82	SLES	1	-3.79762	20.6783	-13.7869	HAL2	840	0	0	0	0.09	
+843	C9	SLES	1	-4.18703	21.0352	-11.668	CTL2	840	844	845	846	-0.18	
+844	H91	SLES	1	-4.96588	21.5291	-11.0436	HAL2	843	0	0	0	0.09	
+845	H92	SLES	1	-3.22684	21.5764	-11.5107	HAL2	843	0	0	0	0.09	
+846	C10	SLES	1	-4.02228	19.5692	-11.2021	CTL2	843	847	848	849	-0.18	
+847	H10	SLES	1	-4.98958	19.0337	-11.3376	HAL2	846	0	0	0	0.09	
+848	H10	SLES	1	-3.25953	19.0684	-11.8404	HAL2	846	0	0	0	0.09	
+849	C11	SLES	1	-3.58828	19.4631	-9.7161	CTL2	846	850	851	852	-0.18	
+850	H11	SLES	1	-4.35765	19.9593	-9.08136	HAL2	849	0	0	0	0.09	
+851	H11	SLES	1	-2.63004	20.0151	-9.58199	HAL2	849	0	0	0	0.09	
+852	C12	SLES	1	-3.39834	18.0052	-9.22307	CTL3	849	853	854	855	-0.27	
+853	H12	SLES	1	-4.07933	17.7941	-8.36922	HAL3	852	0	0	0	0.09	
+854	H12	SLES	1	-2.34984	17.8439	-8.88845	HAL3	852	0	0	0	0.09	
+855	H12	SLES	1	-3.62346	17.2873	-10.0416	HAL3	852	0	0	0	0.09	
+856	NA	SLES	1	29.5652	20.0299	-26.015	NA	0	0	0	0	1	
+857	S	SLES	1	26.4572	21.912	-25.6299	SL	858	859	860	861	1.33	
+858	OS1	SLES	1	26.733	20.3952	-24.9736	OSL	857	862	0	0	-0.28	
+859	OS2	SLES	1	27.4934	22.7779	-25.1064	O2L	857	0	0	0	-0.65	
+860	OS3	SLES	1	26.6146	21.766	-27.0618	O2L	857	0	0	0	-0.65	
+861	OS4	SLES	1	25.148	22.4693	-25.3304	O2L	857	0	0	0	-0.65	
+862	C2	SLES	1	25.6272	20.0255	-24.0457	CC32A	858	863	864	865	-0.11	
+863	H2A	SLES	1	25.4948	20.8128	-23.2521	HCA2	862	0	0	0	0.09	
+864	H2B	SLES	1	24.675	19.9432	-24.6397	HCA2	862	0	0	0	0.09	
+865	C1	SLES	1	25.9601	18.617	-23.3593	CC32A	862	866	867	868	-0.01	
+866	H1B	SLES	1	26.9466	18.6702	-22.8438	HCA2	865	0	0	0	0.09	
+867	H1A	SLES	1	26.0028	17.8174	-24.1351	HCA2	865	0	0	0	0.09	
+868	O1	SLES	1	25.0679	18.07	-22.3187	OC30A	865	869	0	0	-0.34	
+869	C2	SLES	1	23.7375	18.625	-22.2522	CC32A	868	870	871	872	-0.01	
+870	H2A	SLES	1	23.9484	19.6911	-22.038	HCA2	869	0	0	0	0.09	
+871	H2B	SLES	1	23.3866	18.5333	-23.3047	HCA2	869	0	0	0	0.09	
+872	C1	SLES	1	22.6277	18.1095	-21.2827	CC32A	869	873	874	875	-0.01	
+873	H1B	SLES	1	22.6705	18.6772	-20.3277	HCA2	872	0	0	0	0.09	
+874	H1A	SLES	1	21.6337	18.2693	-21.7464	HCA2	872	0	0	0	0.09	
+875	O1	SLES	1	22.5875	16.7419	-20.7623	OC30A	872	876	0	0	-0.34	
+876	C1	SLES	1	21.2377	16.2254	-20.4702	CTL2	875	877	878	879	-0.18	
+877	H11	SLES	1	20.5401	17.0798	-20.5378	HAL2	876	0	0	0	0.09	
+878	H12	SLES	1	21.0678	15.5578	-21.3401	HAL2	876	0	0	0	0.09	
+879	C2	SLES	1	20.9773	15.4332	-19.1283	CTL2	876	880	881	882	-0.18	
+880	H21	SLES	1	21.9164	15.4086	-18.5314	HAL2	879	0	0	0	0.09	
+881	H22	SLES	1	20.701	14.3848	-19.3753	HAL2	879	0	0	0	0.09	
+882	C3	SLES	1	19.8103	16.0905	-18.2425	CTL2	879	883	884	885	-0.18	
+883	H31	SLES	1	20.2694	16.642	-17.392	HAL2	882	0	0	0	0.09	
+884	H32	SLES	1	19.2551	16.8226	-18.8622	HAL2	882	0	0	0	0.09	
+885	C4	SLES	1	18.7893	15.0215	-17.6707	CTL2	882	886	887	888	-0.18	
+886	H41	SLES	1	19.024	14.8359	-16.6018	HAL2	885	0	0	0	0.09	
+887	H42	SLES	1	18.9172	14.0642	-18.2205	HAL2	885	0	0	0	0.09	
+888	C5	SLES	1	17.2707	15.4931	-17.7977	CTL2	885	889	890	891	-0.18	
+889	H51	SLES	1	17.2444	16.5939	-17.9561	HAL2	888	0	0	0	0.09	
+890	H52	SLES	1	16.8137	15.008	-18.6903	HAL2	888	0	0	0	0.09	
+891	C6	SLES	1	16.4101	15.1405	-16.5263	CTL2	888	892	893	894	-0.18	
+892	H61	SLES	1	16.7114	15.8078	-15.6878	HAL2	891	0	0	0	0.09	
+893	H62	SLES	1	15.3355	15.3357	-16.7509	HAL2	891	0	0	0	0.09	
+894	C7	SLES	1	16.5736	13.6537	-16.0779	CTL2	891	895	896	897	-0.18	
+895	H71	SLES	1	17.5088	13.5548	-15.4834	HAL2	894	0	0	0	0.09	
+896	H72	SLES	1	16.6706	13.01	-16.9805	HAL2	894	0	0	0	0.09	
+897	C8	SLES	1	15.3807	13.1526	-15.2263	CTL2	894	898	899	900	-0.18	
+898	H81	SLES	1	15.1388	13.9171	-14.4528	HAL2	897	0	0	0	0.09	
+899	H82	SLES	1	14.4891	13.0337	-15.8833	HAL2	897	0	0	0	0.09	
+900	C9	SLES	1	15.6784	11.8022	-14.5275	CTL2	897	901	902	903	-0.18	
+901	H91	SLES	1	16.5874	11.914	-13.8938	HAL2	900	0	0	0	0.09	
+902	H92	SLES	1	15.8926	11.0321	-15.3025	HAL2	900	0	0	0	0.09	
+903	C10	SLES	1	14.5047	11.3166	-13.6444	CTL2	900	904	905	906	-0.18	
+904	H10	SLES	1	14.3054	12.0763	-12.8544	HAL2	903	0	0	0	0.09	
+905	H10	SLES	1	13.5899	11.2259	-14.2729	HAL2	903	0	0	0	0.09	
+906	C11	SLES	1	14.7943	9.94913	-12.9705	CTL2	903	907	908	909	-0.18	
+907	H11	SLES	1	15.7059	10.0469	-12.3377	HAL2	906	0	0	0	0.09	
+908	H11	SLES	1	15.0105	9.19719	-13.7635	HAL2	906	0	0	0	0.09	
+909	C12	SLES	1	13.629	9.42668	-12.0908	CTL3	906	910	911	912	-0.27	
+910	H12	SLES	1	13.9695	9.28797	-11.041	HAL3	909	0	0	0	0.09	
+911	H12	SLES	1	13.2616	8.45006	-12.4762	HAL3	909	0	0	0	0.09	
+912	H12	SLES	1	12.7849	10.1502	-12.0968	HAL3	909	0	0	0	0.09	
+913	NA	SLES	1	25.632	-15.8781	-32.295	NA	0	0	0	0	1	
+914	S	SLES	1	27.4889	-14.9565	-29.2861	SL	915	916	917	918	1.33	
+915	OS1	SLES	1	25.8414	-14.7284	-29.4889	OSL	914	919	0	0	-0.28	
+916	OS2	SLES	1	27.7296	-16.3737	-29.4623	O2L	914	0	0	0	-0.65	
+917	OS3	SLES	1	28.1323	-14.2121	-30.3484	O2L	914	0	0	0	-0.65	
+918	OS4	SLES	1	28.003	-14.5233	-27.9968	O2L	914	0	0	0	-0.65	
+919	C2	SLES	1	25.2173	-14.3024	-28.2046	CC32A	915	920	921	922	-0.11	
+920	H2A	SLES	1	25.4451	-15.0426	-27.3877	HCA2	919	0	0	0	0.09	
+921	H2B	SLES	1	25.6409	-13.3003	-27.9168	HCA2	919	0	0	0	0.09	
+922	C1	SLES	1	23.6319	-14.1837	-28.3995	CC32A	919	923	924	925	-0.01	
+923	H1B	SLES	1	23.222	-15.1515	-28.7699	HCA2	922	0	0	0	0.09	
+924	H1A	SLES	1	23.3995	-13.3868	-29.1439	HCA2	922	0	0	0	0.09	
+925	O1	SLES	1	22.7643	-13.8722	-27.247	OC30A	922	926	0	0	-0.34	
+926	C2	SLES	1	23.4088	-13.2974	-26.0908	CC32A	925	927	928	929	-0.01	
+927	H2A	SLES	1	24.1248	-14.0951	-25.812	HCA2	926	0	0	0	0.09	
+928	H2B	SLES	1	23.9744	-12.4453	-26.5305	HCA2	926	0	0	0	0.09	
+929	C1	SLES	1	22.6435	-12.8173	-24.8175	CC32A	926	930	931	932	-0.01	
+930	H1B	SLES	1	22.5729	-13.6512	-24.0856	HCA2	929	0	0	0	0.09	
+931	H1A	SLES	1	23.2	-11.9805	-24.3499	HCA2	929	0	0	0	0.09	
+932	O1	SLES	1	21.2469	-12.3793	-24.8372	OC30A	929	933	0	0	-0.34	
+933	C1	SLES	1	20.8954	-11.3708	-23.8206	CTL2	932	934	935	936	-0.18	
+934	H11	SLES	1	21.7498	-11.2994	-23.1233	HAL2	933	0	0	0	0.09	
+935	H12	SLES	1	20.8592	-10.4472	-24.4346	HAL2	933	0	0	0	0.09	
+936	C2	SLES	1	19.5533	-11.5219	-23.0008	CTL2	933	937	938	939	-0.18	
+937	H21	SLES	1	19.0431	-12.4625	-23.3069	HAL2	936	0	0	0	0.09	
+938	H22	SLES	1	18.8809	-10.6715	-23.2484	HAL2	936	0	0	0	0.09	
+939	C3	SLES	1	19.8014	-11.5525	-21.4146	CTL2	936	940	941	942	-0.18	
+940	H31	SLES	1	19.704	-12.6006	-21.0539	HAL2	939	0	0	0	0.09	
+941	H32	SLES	1	20.836	-11.2154	-21.2042	HAL2	939	0	0	0	0.09	
+942	C4	SLES	1	18.7883	-10.6359	-20.611	CTL2	939	943	944	945	-0.18	
+943	H41	SLES	1	18.0071	-11.2784	-20.1538	HAL2	942	0	0	0	0.09	
+944	H42	SLES	1	18.288	-9.93866	-21.3171	HAL2	942	0	0	0	0.09	
+945	C5	SLES	1	19.5036	-9.78782	-19.4648	CTL2	942	946	947	948	-0.18	
+946	H51	SLES	1	20.4942	-10.2421	-19.2414	HAL2	945	0	0	0	0.09	
+947	H52	SLES	1	19.6781	-8.7519	-19.8354	HAL2	945	0	0	0	0.09	
+948	C6	SLES	1	18.6621	-9.72102	-18.1349	CTL2	945	949	950	951	-0.18	
+949	H61	SLES	1	18.6929	-10.7155	-17.6357	HAL2	948	0	0	0	0.09	
+950	H62	SLES	1	19.1295	-8.97764	-17.4476	HAL2	948	0	0	0	0.09	
+951	C7	SLES	1	17.173	-9.32016	-18.3802	CTL2	948	952	953	954	-0.18	
+952	H71	SLES	1	16.6042	-10.2192	-18.7055	HAL2	951	0	0	0	0.09	
+953	H72	SLES	1	17.1285	-8.56997	-19.2009	HAL2	951	0	0	0	0.09	
+954	C8	SLES	1	16.4987	-8.72776	-17.1177	CTL2	951	955	956	957	-0.18	
+955	H81	SLES	1	16.7378	-9.37213	-16.2408	HAL2	954	0	0	0	0.09	
+956	H82	SLES	1	16.9167	-7.71372	-16.9238	HAL2	954	0	0	0	0.09	
+957	C9	SLES	1	14.9599	-8.62175	-17.2633	CTL2	954	958	959	960	-0.18	
+958	H91	SLES	1	14.5459	-9.63125	-17.4865	HAL2	957	0	0	0	0.09	
+959	H92	SLES	1	14.7218	-7.95522	-18.1227	HAL2	957	0	0	0	0.09	
+960	C10	SLES	1	14.2776	-8.06722	-15.9904	CTL2	957	961	962	963	-0.18	
+961	H10	SLES	1	14.4963	-8.7466	-15.1352	HAL2	960	0	0	0	0.09	
+962	H10	SLES	1	14.7068	-7.06731	-15.7539	HAL2	960	0	0	0	0.09	
+963	C11	SLES	1	12.7399	-7.93352	-16.1507	CTL2	960	964	965	966	-0.18	
+964	H11	SLES	1	12.3145	-8.93724	-16.3803	HAL2	963	0	0	0	0.09	
+965	H11	SLES	1	12.5262	-7.26781	-17.0179	HAL2	963	0	0	0	0.09	
+966	C12	SLES	1	12.0279	-7.36414	-14.8963	CTL3	963	967	968	969	-0.27	
+967	H12	SLES	1	11.2774	-8.091	-14.5146	HAL3	966	0	0	0	0.09	
+968	H12	SLES	1	11.5061	-6.41402	-15.1459	HAL3	966	0	0	0	0.09	
+969	H12	SLES	1	12.7666	-7.1615	-14.0904	HAL3	966	0	0	0	0.09	
+970	NA	SLES	1	-4.14759	-25.2172	-36.0413	NA	0	0	0	0	1	
+971	S	SLES	1	-6.74059	-25.821	-33.5389	SL	972	973	974	975	1.33	
+972	OS1	SLES	1	-5.45521	-24.7658	-33.3346	OSL	971	976	0	0	-0.28	
+973	OS2	SLES	1	-7.44935	-25.3771	-34.7213	O2L	971	0	0	0	-0.65	
+974	OS3	SLES	1	-6.15751	-27.1251	-33.775	O2L	971	0	0	0	-0.65	
+975	OS4	SLES	1	-7.65354	-25.8845	-32.4088	O2L	971	0	0	0	-0.65	
+976	C2	SLES	1	-5.63941	-23.962	-32.0934	CC32A	972	977	978	979	-0.11	
+977	H2A	SLES	1	-6.629	-23.4258	-32.1108	HCA2	976	0	0	0	0.09	
+978	H2B	SLES	1	-5.61812	-24.6589	-31.2102	HCA2	976	0	0	0	0.09	
+979	C1	SLES	1	-4.44967	-22.8966	-31.9707	CC32A	976	980	981	982	-0.01	
+980	H1B	SLES	1	-4.4134	-22.2617	-32.8858	HCA2	979	0	0	0	0.09	
+981	H1A	SLES	1	-3.47488	-23.4269	-31.8624	HCA2	979	0	0	0	0.09	
+982	O1	SLES	1	-4.45104	-21.9063	-30.8764	OC30A	979	983	0	0	-0.34	
+983	C2	SLES	1	-5.30013	-22.195	-29.7458	CC32A	982	984	985	986	-0.01	
+984	H2A	SLES	1	-6.30134	-22.2279	-30.2184	HCA2	983	0	0	0	0.09	
+985	H2B	SLES	1	-4.99641	-23.2316	-29.4764	HCA2	983	0	0	0	0.09	
+986	C1	SLES	1	-5.36188	-21.3152	-28.4576	CC32A	983	987	988	989	-0.01	
+987	H1B	SLES	1	-6.15235	-20.5414	-28.5693	HCA2	986	0	0	0	0.09	
+988	H1A	SLES	1	-5.6125	-21.9559	-27.5885	HCA2	986	0	0	0	0.09	
+989	O1	SLES	1	-4.25078	-20.4776	-28.0028	OC30A	986	990	0	0	-0.34	
+990	C1	SLES	1	-4.1743	-20.2819	-26.5434	CTL2	989	991	992	993	-0.18	
+991	H11	SLES	1	-5.1132	-20.6741	-26.1123	HAL2	990	0	0	0	0.09	
+992	H12	SLES	1	-3.34542	-20.9693	-26.2754	HAL2	990	0	0	0	0.09	
+993	C2	SLES	1	-3.88491	-18.8417	-25.9619	CTL2	990	994	995	996	-0.18	
+994	H21	SLES	1	-3.81093	-18.1169	-26.8033	HAL2	993	0	0	0	0.09	
+995	H22	SLES	1	-2.9061	-18.8549	-25.4343	HAL2	993	0	0	0	0.09	
+996	C3	SLES	1	-5.02503	-18.3487	-24.9443	CTL2	993	997	998	999	-0.18	
+997	H31	SLES	1	-5.67212	-17.6045	-25.4597	HAL2	996	0	0	0	0.09	
+998	H32	SLES	1	-5.6585	-19.214	-24.6646	HAL2	996	0	0	0	0.09	
+999	C4	SLES	1	-4.43792	-17.6936	-23.6258	CTL2	996	1000	1001	1002	-0.18	
+1000	H41	SLES	1	-4.51631	-16.5894	-23.7072	HAL2	999	0	0	0	0.09	
+1001	H42	SLES	1	-3.36139	-17.9547	-23.5367	HAL2	999	0	0	0	0.09	
+1002	C5	SLES	1	-5.19865	-18.1756	-22.3091	CTL2	999	1003	1004	1005	-0.18	
+1003	H51	SLES	1	-6.18146	-18.6105	-22.5961	HAL2	1002	0	0	0	0.09	
+1004	H52	SLES	1	-4.60061	-18.9765	-21.8173	HAL2	1002	0	0	0	0.09	
+1005	C6	SLES	1	-5.43914	-17.0095	-21.2776	CTL2	1002	1006	1007	1008	-0.18	
+1006	H61	SLES	1	-6.22762	-16.3312	-21.6742	HAL2	1005	0	0	0	0.09	
+1007	H62	SLES	1	-5.81026	-17.444	-20.32	HAL2	1005	0	0	0	0.09	
+1008	C7	SLES	1	-4.14858	-16.1782	-20.9921	CTL2	1005	1009	1010	1011	-0.18	
+1009	H71	SLES	1	-4.00588	-15.4374	-21.8098	HAL2	1008	0	0	0	0.09	
+1010	H72	SLES	1	-3.2694	-16.8603	-20.9892	HAL2	1008	0	0	0	0.09	
+1011	C8	SLES	1	-4.20956	-15.4276	-19.6383	CTL2	1008	1012	1013	1014	-0.18	
+1012	H81	SLES	1	-5.19825	-14.9222	-19.5463	HAL2	1011	0	0	0	0.09	
+1013	H82	SLES	1	-4.12187	-16.1657	-18.8088	HAL2	1011	0	0	0	0.09	
+1014	C9	SLES	1	-3.08569	-14.3707	-19.4966	CTL2	1011	1015	1016	1017	-0.18	
+1015	H91	SLES	1	-3.15595	-13.6502	-20.3429	HAL2	1014	0	0	0	0.09	
+1016	H92	SLES	1	-2.098	-14.8804	-19.5606	HAL2	1014	0	0	0	0.09	
+1017	C10	SLES	1	-3.16557	-13.5909	-18.1628	CTL2	1014	1018	1019	1020	-0.18	
+1018	H10	SLES	1	-4.14432	-13.0619	-18.1089	HAL2	1017	0	0	0	0.09	
+1019	H10	SLES	1	-3.11766	-14.3127	-17.3161	HAL2	1017	0	0	0	0.09	
+1020	C11	SLES	1	-2.02053	-12.5547	-18.0107	CTL2	1017	1021	1022	1023	-0.18	
+1021	H11	SLES	1	-2.07694	-11.8312	-18.8559	HAL2	1020	0	0	0	0.09	
+1022	H11	SLES	1	-1.04407	-13.086	-18.0832	HAL2	1020	0	0	0	0.09	
+1023	C12	SLES	1	-2.0632	-11.7676	-16.6754	CTL3	1020	1024	1025	1026	-0.27	
+1024	H12	SLES	1	-2.15467	-10.6767	-16.8725	HAL3	1023	0	0	0	0.09	
+1025	H12	SLES	1	-1.13301	-11.9455	-16.0919	HAL3	1023	0	0	0	0.09	
+1026	H12	SLES	1	-2.93292	-12.0911	-16.0629	HAL3	1023	0	0	0	0.09	
+1027	NA	SLES	1	-22.2581	1.4416	-38.139	NA	0	0	0	0	1	
+1028	S	SLES	1	-19.3728	3.68182	-38.0546	SL	1029	1030	1031	1032	1.33	
+1029	OS1	SLES	1	-19.8833	2.74652	-36.7615	OSL	1028	1033	0	0	-0.28	
+1030	OS2	SLES	1	-19.1099	2.76411	-39.1437	O2L	1028	0	0	0	-0.65	
+1031	OS3	SLES	1	-20.4869	4.54222	-38.3939	O2L	1028	0	0	0	-0.65	
+1032	OS4	SLES	1	-18.1906	4.4853	-37.7876	O2L	1028	0	0	0	-0.65	
+1033	C2	SLES	1	-18.88	2.7959	-35.6609	CC32A	1029	1034	1035	1036	-0.11	
+1034	H2A	SLES	1	-17.865	2.48413	-36.0345	HCA2	1033	0	0	0	0.09	
+1035	H2B	SLES	1	-18.8192	3.85308	-35.2802	HCA2	1033	0	0	0	0.09	
+1036	C1	SLES	1	-19.3431	1.82061	-34.4776	CC32A	1033	1037	1038	1039	-0.01	
+1037	H1B	SLES	1	-19.4896	0.788801	-34.8722	HCA2	1036	0	0	0	0.09	
+1038	H1A	SLES	1	-20.3058	2.17967	-34.0446	HCA2	1036	0	0	0	0.09	
+1039	O1	SLES	1	-18.4708	1.61	-33.306	OC30A	1036	1040	0	0	-0.34	
+1040	C2	SLES	1	-17.4339	2.58997	-33.0888	CC32A	1039	1041	1042	1043	-0.01	
+1041	H2A	SLES	1	-16.8376	2.4968	-34.0176	HCA2	1040	0	0	0	0.09	
+1042	H2B	SLES	1	-17.9995	3.54835	-33.1203	HCA2	1040	0	0	0	0.09	
+1043	C1	SLES	1	-16.478	2.58558	-31.8545	CC32A	1040	1044	1045	1046	-0.01	
+1044	H1B	SLES	1	-15.5637	1.99854	-32.0902	HCA2	1043	0	0	0	0.09	
+1045	H1A	SLES	1	-16.1803	3.62688	-31.6186	HCA2	1043	0	0	0	0.09	
+1046	O1	SLES	1	-16.8341	1.99185	-30.5648	OC30A	1043	1047	0	0	-0.34	
+1047	C1	SLES	1	-16.204	2.62503	-29.3918	CTL2	1046	1048	1049	1050	-0.18	
+1048	H11	SLES	1	-15.4303	3.31693	-29.7711	HAL2	1047	0	0	0	0.09	
+1049	H12	SLES	1	-17.0478	3.2218	-28.9878	HAL2	1047	0	0	0	0.09	
+1050	C2	SLES	1	-15.5925	1.72084	-28.2495	CTL2	1047	1051	1052	1053	-0.18	
+1051	H21	SLES	1	-15.701	0.650423	-28.5346	HAL2	1050	0	0	0	0.09	
+1052	H22	SLES	1	-16.167	1.88538	-27.3118	HAL2	1050	0	0	0	0.09	
+1053	C3	SLES	1	-14.0414	2.03652	-27.9792	CTL2	1050	1054	1055	1056	-0.18	
+1054	H31	SLES	1	-13.4239	1.23102	-28.4354	HAL2	1053	0	0	0	0.09	
+1055	H32	SLES	1	-13.7752	2.99112	-28.4752	HAL2	1053	0	0	0	0.09	
+1056	C4	SLES	1	-13.6901	2.14265	-26.4372	CTL2	1053	1057	1058	1059	-0.18	
+1057	H41	SLES	1	-13.1994	1.20073	-26.1145	HAL2	1056	0	0	0	0.09	
+1058	H42	SLES	1	-14.6303	2.25552	-25.8556	HAL2	1056	0	0	0	0.09	
+1059	C5	SLES	1	-12.7275	3.37182	-26.1096	CTL2	1056	1060	1061	1062	-0.18	
+1060	H51	SLES	1	-12.2365	3.70894	-27.0492	HAL2	1059	0	0	0	0.09	
+1061	H52	SLES	1	-13.339	4.21774	-25.7206	HAL2	1059	0	0	0	0.09	
+1062	C6	SLES	1	-11.6151	3.0155	-25.0528	CTL2	1059	1063	1064	1065	-0.18	
+1063	H61	SLES	1	-10.8614	2.34958	-25.5298	HAL2	1062	0	0	0	0.09	
+1064	H62	SLES	1	-11.097	3.9529	-24.7424	HAL2	1062	0	0	0	0.09	
+1065	C7	SLES	1	-12.1893	2.30836	-23.7845	CTL2	1062	1066	1067	1068	-0.18	
+1066	H71	SLES	1	-12.3366	1.22826	-24.0068	HAL2	1065	0	0	0	0.09	
+1067	H72	SLES	1	-13.1823	2.74761	-23.5411	HAL2	1065	0	0	0	0.09	
+1068	C8	SLES	1	-11.2606	2.44631	-22.5524	CTL2	1065	1069	1070	1071	-0.18	
+1069	H81	SLES	1	-10.2134	2.2201	-22.8585	HAL2	1068	0	0	0	0.09	
+1070	H82	SLES	1	-11.293	3.49844	-22.1883	HAL2	1068	0	0	0	0.09	
+1071	C9	SLES	1	-11.6662	1.49774	-21.3965	CTL2	1068	1072	1073	1074	-0.18	
+1072	H91	SLES	1	-11.6622	0.448382	-21.7696	HAL2	1071	0	0	0	0.09	
+1073	H92	SLES	1	-12.7027	1.74307	-21.0725	HAL2	1071	0	0	0	0.09	
+1074	C10	SLES	1	-10.7183	1.60334	-20.1784	CTL2	1071	1075	1076	1077	-0.18	
+1075	H10	SLES	1	-9.68524	1.33524	-20.4971	HAL2	1074	0	0	0	0.09	
+1076	H10	SLES	1	-10.7047	2.65705	-19.8185	HAL2	1074	0	0	0	0.09	
+1077	C11	SLES	1	-11.1454	0.674528	-19.0109	CTL2	1074	1078	1079	1080	-0.18	
+1078	H11	SLES	1	-11.1508	-0.378686	-19.374	HAL2	1077	0	0	0	0.09	
+1079	H11	SLES	1	-12.1853	0.93443	-18.7078	HAL2	1077	0	0	0	0.09	
+1080	C12	SLES	1	-10.2238	0.76967	-17.7674	CTL3	1077	1081	1082	1083	-0.27	
+1081	H12	SLES	1	-9.77655	-0.223309	-17.541	HAL3	1080	0	0	0	0.09	
+1082	H12	SLES	1	-10.8046	1.10732	-16.8809	HAL3	1080	0	0	0	0.09	
+1083	H12	SLES	1	-9.40147	1.4954	-17.9497	HAL3	1080	0	0	0	0.09	
+1084	NA	SLES	1	8.80826	9.52799	-42.234	NA	0	0	0	0	1	
+1085	S	SLES	1	5.24522	9.63762	-41.4321	SL	1086	1087	1088	1089	1.33	
+1086	OS1	SLES	1	6.44496	9.18608	-40.3531	OSL	1085	1090	0	0	-0.28	
+1087	OS2	SLES	1	5.57668	10.9762	-41.8746	O2L	1085	0	0	0	-0.65	
+1088	OS3	SLES	1	5.3357	8.71496	-42.5443	O2L	1085	0	0	0	-0.65	
+1089	OS4	SLES	1	3.89992	9.6172	-40.8805	O2L	1085	0	0	0	-0.65	
+1090	C2	SLES	1	5.87991	9.04718	-38.9814	CC32A	1086	1091	1092	1093	-0.11	
+1091	H2A	SLES	1	5.36279	9.99633	-38.6669	HCA2	1090	0	0	0	0.09	
+1092	H2B	SLES	1	5.12982	8.20838	-38.9873	HCA2	1090	0	0	0	0.09	
+1093	C1	SLES	1	7.06104	8.70943	-37.9534	CC32A	1090	1094	1095	1096	-0.01	
+1094	H1B	SLES	1	7.84915	9.49522	-38.0101	HCA2	1093	0	0	0	0.09	
+1095	H1A	SLES	1	7.51671	7.72449	-38.2091	HCA2	1093	0	0	0	0.09	
+1096	O1	SLES	1	6.78209	8.61913	-36.5071	OC30A	1093	1097	0	0	-0.34	
+1097	C2	SLES	1	5.40155	8.44215	-36.1258	CC32A	1096	1098	1099	1100	-0.01	
+1098	H2A	SLES	1	4.93472	9.35824	-36.5378	HCA2	1097	0	0	0	0.09	
+1099	H2B	SLES	1	5.09127	7.57137	-36.7461	HCA2	1097	0	0	0	0.09	
+1100	C1	SLES	1	4.9259	8.23314	-34.6536	CC32A	1097	1101	1102	1103	-0.01	
+1101	H1B	SLES	1	4.69467	9.21721	-34.1908	HCA2	1100	0	0	0	0.09	
+1102	H1A	SLES	1	4.00622	7.61444	-34.6505	HCA2	1100	0	0	0	0.09	
+1103	O1	SLES	1	5.77425	7.65589	-33.6096	OC30A	1100	1104	0	0	-0.34	
+1104	C1	SLES	1	5.05234	6.91791	-32.5569	CTL2	1103	1105	1106	1107	-0.18	
+1105	H11	SLES	1	3.97558	7.12582	-32.693	HAL2	1104	0	0	0	0.09	
+1106	H12	SLES	1	5.25196	5.86719	-32.8526	HAL2	1104	0	0	0	0.09	
+1107	C2	SLES	1	5.44616	7.1319	-31.0419	CTL2	1104	1108	1109	1110	-0.18	
+1108	H21	SLES	1	6.25146	7.89765	-30.9792	HAL2	1107	0	0	0	0.09	
+1109	H22	SLES	1	5.84803	6.17831	-30.6347	HAL2	1107	0	0	0	0.09	
+1110	C3	SLES	1	4.20199	7.60513	-30.1438	CTL2	1107	1111	1112	1113	-0.18	
+1111	H31	SLES	1	4.29928	8.69416	-29.9369	HAL2	1110	0	0	0	0.09	
+1112	H32	SLES	1	3.26472	7.45001	-30.7145	HAL2	1110	0	0	0	0.09	
+1113	C4	SLES	1	4.10031	6.82727	-28.7665	CTL2	1110	1114	1115	1116	-0.18	
+1114	H41	SLES	1	4.48995	7.47822	-27.9562	HAL2	1113	0	0	0	0.09	
+1115	H42	SLES	1	4.73864	5.91873	-28.8125	HAL2	1113	0	0	0	0.09	
+1116	C5	SLES	1	2.60603	6.39339	-28.4149	CTL2	1113	1117	1118	1119	-0.18	
+1117	H51	SLES	1	1.89935	6.99559	-29.0276	HAL2	1116	0	0	0	0.09	
+1118	H52	SLES	1	2.46626	5.32189	-28.6856	HAL2	1116	0	0	0	0.09	
+1119	C6	SLES	1	2.25295	6.58716	-26.892	CTL2	1116	1120	1121	1122	-0.18	
+1120	H61	SLES	1	2.15425	7.67506	-26.678	HAL2	1119	0	0	0	0.09	
+1121	H62	SLES	1	1.2686	6.10606	-26.6845	HAL2	1119	0	0	0	0.09	
+1122	C7	SLES	1	3.32823	5.97611	-25.9388	CTL2	1119	1123	1124	1125	-0.18	
+1123	H71	SLES	1	4.1756	6.69055	-25.8424	HAL2	1122	0	0	0	0.09	
+1124	H72	SLES	1	3.72053	5.03638	-26.3875	HAL2	1122	0	0	0	0.09	
+1125	C8	SLES	1	2.76828	5.66649	-24.528	CTL2	1122	1126	1127	1128	-0.18	
+1126	H81	SLES	1	2.17707	6.54075	-24.1709	HAL2	1125	0	0	0	0.09	
+1127	H82	SLES	1	2.08291	4.79087	-24.5927	HAL2	1125	0	0	0	0.09	
+1128	C9	SLES	1	3.88728	5.3589	-23.5016	CTL2	1125	1129	1130	1131	-0.18	
+1129	H91	SLES	1	4.58875	6.2229	-23.4593	HAL2	1128	0	0	0	0.09	
+1130	H92	SLES	1	4.45995	4.46812	-23.8452	HAL2	1128	0	0	0	0.09	
+1131	C10	SLES	1	3.3357	5.08745	-22.0819	CTL2	1128	1132	1133	1134	-0.18	
+1132	H10	SLES	1	2.78247	5.98735	-21.7285	HAL2	1131	0	0	0	0.09	
+1133	H10	SLES	1	2.61732	4.2378	-22.1272	HAL2	1131	0	0	0	0.09	
+1134	C11	SLES	1	4.45665	4.74958	-21.0635	CTL2	1131	1135	1136	1137	-0.18	
+1135	H11	SLES	1	5.16868	5.60512	-21.0167	HAL2	1134	0	0	0	0.09	
+1136	H11	SLES	1	5.01828	3.86017	-21.4302	HAL2	1134	0	0	0	0.09	
+1137	C12	SLES	1	3.93397	4.45579	-19.6334	CTL3	1134	1138	1139	1140	-0.27	
+1138	H12	SLES	1	4.37658	5.17114	-18.9056	HAL3	1137	0	0	0	0.09	
+1139	H12	SLES	1	4.20832	3.42246	-19.3263	HAL3	1137	0	0	0	0.09	
+1140	H12	SLES	1	2.82705	4.55381	-19.5981	HAL3	1137	0	0	0	0.09	
Index: tests/regression/Filling/SphericalSurface/testsuite-molecules-fill-spherical-surface.at
===================================================================
--- tests/regression/Filling/SphericalSurface/testsuite-molecules-fill-spherical-surface.at	(revision 1dbbebbd0643e4b6a024acbe95232cacda8a7a10)
+++ tests/regression/Filling/SphericalSurface/testsuite-molecules-fill-spherical-surface.at	(revision 2cc1cbe98dd0605266ded20ff583bfaf6b64fb77)
@@ -25,6 +25,6 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0)
 AT_CHECK([chmod u+w $file], 0)
-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 200 --min-distance 3.1 --Alignment-Axis "0,0,1"], 0, [stdout], [stderr])
-AT_CHECK([grep "200 out of 200 returned true from predicate" stdout], 0, [ignore], [ignore])
+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])
+AT_CHECK([grep "20 out of 20 returned true from predicate" stdout], 0, [ignore], [ignore])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/tensid.data], 0, [ignore], [ignore])
 
@@ -39,5 +39,5 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0)
 AT_CHECK([chmod u+w $file], 0)
-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 200 --min-distance 3.1 --Alignment-Axis "0,0,1" --undo], 0, [stdout], [stderr])
+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])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/$file], 0, [ignore], [ignore])
 
@@ -52,5 +52,5 @@
 AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/pre/tensid.potentials .], 0)
 AT_CHECK([chmod u+w $file], 0)
-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 200 --min-distance 3.1 --Alignment-Axis "0,0,1" --undo --redo], 0, [stdout], [stderr])
+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])
 AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/SphericalSurface/post/tensid.data], 0, [ignore], [ignore])
 
