@<TRIPOS>MOLECULE
119026008
191 196 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     5.5154     7.2585     1.9646	S.3	1	noname	-0.0918
2	S2     4.5627     6.4629     0.2665	S.3	1	noname	-0.0918
3	O1    12.2947     8.3658     3.0605	O.2	1	noname	-0.2912
4	O2    16.4437    11.8959    -0.6119	O.3	1	noname	-0.2148
5	O3    12.2061     8.9790    11.1226	O.3	1	noname	-0.2148
6	O4    12.3346    10.0597     9.1798	O.2	1	noname	-0.2507
7	O5    15.1653    12.0444     1.1905	O.2	1	noname	-0.2507
8	O6     5.2294     2.3616    -5.5238	O.2	1	noname	-0.2899
9	O7    19.2257     6.2203     5.9477	O.3	1	noname	-0.2148
10	O8    19.9106     8.2875     6.5572	O.2	1	noname	-0.2507
11	O9     0.9042     1.1235    -2.9925	O.2	1	noname	-0.2899
12	O10     9.0026     7.4699     3.7921	O.2	1	noname	-0.2899
13	O11     2.3283     2.5767     0.6646	O.3	1	noname	-0.3911
14	O12     8.8210     3.8107    -2.2390	O.2	1	noname	-0.2899
15	O13     7.2164     4.3364     0.1831	O.2	1	noname	-0.2897
16	O14    -0.0882     4.9984    -0.0179	O.2	1	noname	-0.2891
17	O15     1.2247     8.0933    -2.4932	O.2	1	noname	-0.2900
18	O16     3.1093    10.6655     0.9422	O.3	1	noname	-0.3915
19	O17     3.4169    11.9826    -3.2360	O.3	1	noname	-0.3945
20	O18     7.1873    12.4765    -2.8201	O.3	1	noname	-0.2861
21	N1    13.7370     9.8981     4.9600	N.3	1	noname	-0.2923
22	N2    14.9484     9.1463     8.4989	N.3	1	noname	-0.2914
23	N3    16.8857    10.5681     2.9100	N.3	1	noname	-0.2914
24	N4    17.3165     9.4981     6.0978	N.3	1	noname	-0.2914
25	N5    10.4099     9.6405     3.5503	N.3	1	noname	-0.0672
26	N6     4.3505     1.9554    -3.4814	N.3	1	noname	-0.0663
27	N7     6.8532     3.8616    -3.3963	N.3	1	noname	-0.0660
28	N8     1.8808     2.9921    -2.2277	N.3	1	noname	-0.0647
29	N9     8.5683     7.3290     1.5716	N.3	1	noname	-0.0657
30	N10     8.1862     6.0938    -0.8850	N.3	1	noname	-0.0659
31	N11     8.7110    -1.3714    -5.1892	N.3	1	noname	-0.0759
32	N12     1.7569     5.5768    -1.1988	N.3	1	noname	-0.0650
33	N13     3.0335     8.8386    -1.3396	N.3	1	noname	-0.0688
34	N14     2.8704    -4.7591    -2.8445	N.3	1	noname	-0.3304
35	C1    14.5565    10.6053     3.9028	C.3	1	noname	0.0116
36	C2    14.1254    10.1409     6.3850	C.3	1	noname	0.0116
37	C3    14.2773     8.8270     7.1905	C.3	1	noname	0.0116
38	C4    15.6511     9.7465     3.2121	C.3	1	noname	0.0116
39	C5    16.4556     9.0304     8.5465	C.3	1	noname	0.0116
40	C6    18.1272    10.3091     3.7260	C.3	1	noname	0.0116
41	C7    18.0084    10.5425     5.2594	C.3	1	noname	0.0116
42	C8    17.2918     9.9005     7.5511	C.3	1	noname	0.0116
43	C9    12.2748    10.0469     4.7964	C.3	1	noname	0.0725
44	C10    17.2041    10.7964     1.4505	C.3	1	noname	0.0849
45	C11    14.2344     8.7095     9.7583	C.3	1	noname	0.0849
46	C12    17.6521     8.0558     5.8349	C.3	1	noname	0.0849
47	C13    11.6914     9.2680     3.7085	C.2	1	noname	0.0477
48	C14     3.0269     1.5961    -3.9704	C.3	1	noname	0.0878
49	C15     9.5240     9.3899     2.5011	C.3	1	noname	0.0918
50	C16     6.8235     2.4849    -3.7919	C.3	1	noname	0.0919
51	C17     3.0120     0.1019    -4.4583	C.3	1	noname	-0.0288
52	C18     7.9966     2.2114    -4.8077	C.3	1	noname	-0.0016
53	C19     3.2369    -0.9359    -3.3146	C.3	1	noname	-0.0501
54	C20    16.2198    11.5986     0.6877	C.2	1	noname	0.1422
55	C21    12.8883     9.2879     9.9935	C.2	1	noname	0.1422
56	C22     8.4679    10.5419     2.5778	C.3	1	noname	-0.0035
57	C23     5.4331     2.2410    -4.2944	C.2	1	noname	0.0495
58	C24    18.9905     7.5416     6.1571	C.2	1	noname	0.1422
59	C25     7.6268     5.8603    -2.1845	C.3	1	noname	0.0918
60	C26     8.1446     0.7984    -5.2147	C.2	1	noname	-0.0315
61	C27     1.9025     1.8877    -3.0259	C.2	1	noname	0.0499
62	C28     0.8749     3.2394    -1.2186	C.3	1	noname	0.1135
63	C29     8.9915     8.0157     2.6603	C.2	1	noname	0.0497
64	C30     8.0258     5.9971     1.6140	C.3	1	noname	0.0976
65	C31     2.9539    -2.4115    -3.7088	C.3	1	noname	-0.0408
66	C32     7.8145     4.4533    -2.6278	C.2	1	noname	0.0496
67	C33     7.5417     0.1554    -6.3015	C.2	1	noname	-0.0322
68	C34     8.1379     6.8718    -3.2525	C.3	1	noname	-0.0035
69	C35     1.0955     2.2815     0.0066	C.3	1	noname	0.0755
70	C36     7.8020     5.4435     0.2553	C.2	1	noname	0.0498
71	C37     9.0258    11.9513     2.5297	C.2	1	noname	-0.0541
72	C38     8.8973    -0.1863    -4.5730	C.2	1	noname	-0.1057
73	C39     7.8621    -1.1985    -6.2044	C.2	1	noname	-0.0886
74	C40     6.7046     5.9723     2.4555	C.3	1	noname	0.0280
75	C41     0.8349     4.6554    -0.7976	C.2	1	noname	0.0508
76	C42     1.8605     6.8652    -0.5913	C.3	1	noname	0.0976
77	C43     3.1078    -3.3598    -2.4899	C.3	1	noname	-0.0076
78	C44     7.7613     8.3036    -3.0317	C.2	1	noname	-0.0660
79	C45     6.7443     0.6427    -7.3411	C.2	1	noname	-0.0400
80	C46    -0.0482     2.2528     1.0560	C.3	1	noname	-0.0369
81	C47     2.8140     6.8144     0.6433	C.3	1	noname	0.0280
82	C48     7.2940    -2.1336    -7.1011	C.2	1	noname	-0.0441
83	C49     2.0721     7.9314    -1.5822	C.2	1	noname	0.0487
84	C50     9.7269    12.5427     3.6199	C.2	1	noname	-0.0567
85	C51     8.8375    12.7561     1.3801	C.2	1	noname	-0.0567
86	C52     2.8270    10.2797    -1.4640	C.3	1	noname	0.0629
87	C53     6.1277    -0.2839    -8.2121	C.2	1	noname	-0.0540
88	C54     6.3953    -1.6649    -8.0775	C.2	1	noname	-0.0512
89	C55     3.7642    10.8953    -0.3189	C.3	1	noname	0.0693
90	C56     8.3335     9.0850    -1.9931	C.2	1	noname	-0.0475
91	C57     6.8947     8.9789    -3.9470	C.2	1	noname	-0.0475
92	C58    10.2636    13.8418     3.5375	C.2	1	noname	-0.0604
93	C59     9.3681    14.0573     1.2940	C.2	1	noname	-0.0604
94	C60     3.2698    10.5950    -2.9492	C.3	1	noname	0.0615
95	C61    10.0820    14.6020     2.3730	C.2	1	noname	-0.0616
96	C62     8.1498    10.4713    -1.9255	C.2	1	noname	-0.0312
97	C63     6.7383    10.3732    -3.8907	C.2	1	noname	-0.0312
98	C64     5.2115    10.3971    -0.1297	C.3	1	noname	-0.0373
99	C65     7.3608    11.1362    -2.8906	C.2	1	noname	-0.0019
100	H1    13.9212    10.9891     3.1046	H	1	noname	0.0444
101	H2    13.4124    10.7838     6.9187	H	1	noname	0.0444
102	H3    15.0275    10.7261     6.4199	H	1	noname	0.0444
103	H4    15.0083    11.5133     4.2905	H	1	noname	0.0444
104	H5    13.2754     8.4059     7.3296	H	1	noname	0.0444
105	H6    14.8258     8.0908     6.6071	H	1	noname	0.0444
106	H7    15.2244     9.3400     2.2892	H	1	noname	0.0444
107	H8    15.8546     8.8840     3.8252	H	1	noname	0.0444
108	H9    18.5458     9.3190     3.5119	H	1	noname	0.0444
109	H10    16.7742     7.9834     8.4958	H	1	noname	0.0444
110	H11    16.7512     9.3835     9.5367	H	1	noname	0.0444
111	H12    18.8862    11.0281     3.3986	H	1	noname	0.0444
112	H13    16.8982    10.9163     7.6297	H	1	noname	0.0444
113	H14    17.4710    11.4865     5.3825	H	1	noname	0.0444
114	H15    19.0182    10.7037     5.6571	H	1	noname	0.0444
115	H16    18.3257     9.9521     7.9133	H	1	noname	0.0444
116	H17    11.7543     9.7551     5.7212	H	1	noname	0.0527
117	H18    12.0765    11.1202     4.6155	H	1	noname	0.0527
118	H19    14.1440     7.6195     9.7871	H	1	noname	0.0538
119	H20    14.8418     9.0069    10.6164	H	1	noname	0.0538
120	H21    17.3385     9.8328     0.9548	H	1	noname	0.0538
121	H22    18.1526    11.3353     1.3606	H	1	noname	0.0538
122	H23    16.9222     7.4307     6.3373	H	1	noname	0.0538
123	H24    17.5085     7.8275     4.7887	H	1	noname	0.0538
124	H25     2.8080     2.2282    -4.8364	H	1	noname	0.0566
125	H26    10.0820     9.4772     1.5611	H	1	noname	0.0569
126	H27     6.9803     1.8618    -2.9045	H	1	noname	0.0569
127	H28     2.0513    -0.1000    -4.9447	H	1	noname	0.0287
128	H29     3.7806    -0.0402    -5.2227	H	1	noname	0.0287
129	H30    10.0430    10.1718     4.2754	H	1	noname	0.1318
130	H31     7.8757     2.8369    -5.6942	H	1	noname	0.0338
131	H32     8.9524     2.5028    -4.3644	H	1	noname	0.0338
132	H33     2.5937    -0.6935    -2.4654	H	1	noname	0.0268
133	H34     4.2714    -0.8576    -2.9747	H	1	noname	0.0268
134	H35     4.4867     1.9659    -2.5196	H	1	noname	0.1318
135	H36     7.7646    10.3893     1.7552	H	1	noname	0.0337
136	H37     7.9003    10.4412     3.5135	H	1	noname	0.0337
137	H38     6.5531     6.0458    -2.0848	H	1	noname	0.0569
138	H39     6.1180     4.4243    -3.6949	H	1	noname	0.1319
139	H40    -0.1094     3.0420    -1.6575	H	1	noname	0.0593
140	H41     8.7661     5.3536     2.0996	H	1	noname	0.0575
141	H42     1.9327    -2.4974    -4.0926	H	1	noname	0.0279
142	H43     3.6439    -2.7146    -4.5023	H	1	noname	0.0279
143	H44     2.6041     3.6311    -2.3266	H	1	noname	0.1319
144	H45     7.7531     6.5553    -4.2278	H	1	noname	0.0337
145	H46     9.2271     6.7993    -3.3275	H	1	noname	0.0337
146	H47     8.6171     7.7824     0.7100	H	1	noname	0.1319
147	H48     1.1762     1.2598    -0.3676	H	1	noname	0.0619
148	H49     8.8485     6.7897    -0.7943	H	1	noname	0.1319
149	H50     9.4931    -0.0390    -3.7562	H	1	noname	0.0792
150	H51     6.2184     4.9989     2.4043	H	1	noname	0.0410
151	H52     6.9340     6.1443     3.5072	H	1	noname	0.0410
152	H53     0.8927     7.1575    -0.1675	H	1	noname	0.0575
153	H54     2.3838    -3.0979    -1.7140	H	1	noname	0.0425
154	H55     4.1150    -3.2768    -2.0743	H	1	noname	0.0425
155	H56     9.1250    -2.2101    -4.9259	H	1	noname	0.1522
156	H57     2.3955     5.3371    -1.8943	H	1	noname	0.1319
157	H58     6.5999     1.6444    -7.4777	H	1	noname	0.0629
158	H59    -1.0124     2.1009     0.5678	H	1	noname	0.0257
159	H60    -0.0880     3.1783     1.6295	H	1	noname	0.0257
160	H61     0.1126     1.4361     1.7614	H	1	noname	0.0257
161	H62     2.4635     6.0536     1.3460	H	1	noname	0.0410
162	H63     2.7653     7.7764     1.1587	H	1	noname	0.0410
163	H64     7.5230    -3.1261    -7.0286	H	1	noname	0.0642
164	H65     1.6786    10.6144    -1.2641	H	1	noname	0.0520
165	H66     9.8483    12.0428     4.5011	H	1	noname	0.0625
166	H67     8.2950    12.3998     0.5950	H	1	noname	0.0625
167	H68     5.4904     0.0523    -8.9337	H	1	noname	0.0622
168	H69     3.8517     8.5297    -0.9174	H	1	noname	0.1315
169	H70     5.9324    -2.3279    -8.7059	H	1	noname	0.0623
170	H71     3.7669    11.9737    -0.4097	H	1	noname	0.0614
171	H72     8.9300     8.6470    -1.2871	H	1	noname	0.0626
172	H73     6.4102     8.4501    -4.6801	H	1	noname	0.0626
173	H74     3.0130     2.4430    -0.0240	H	1	noname	0.2105
174	H75     2.9369    -5.2836    -1.9684	H	1	noname	0.1184
175	H76     1.8977    -4.8224    -3.1526	H	1	noname	0.1184
176	H77    10.7745    14.2375     4.3286	H	1	noname	0.0622
177	H78     9.2248    14.6076     0.4488	H	1	noname	0.0622
178	H79     2.4752    10.2173    -3.6035	H	1	noname	0.0581
179	H80     4.1774    10.0587    -3.2169	H	1	noname	0.0581
180	H81    10.4635    15.5473     2.3118	H	1	noname	0.0622
181	H82     8.5891    11.0038    -1.1761	H	1	noname	0.0650
182	H83     6.1598    10.8397    -4.5933	H	1	noname	0.0650
183	H84     5.6358    10.0614    -1.0907	H	1	noname	0.0257
184	H85     5.2213     9.5703     0.5804	H	1	noname	0.0257
185	H86     5.8121    11.1994     0.2990	H	1	noname	0.0257
186	H87     2.2341    11.1065     0.9409	H	1	noname	0.2104
187	H88     3.6914    12.0958    -4.1699	H	1	noname	0.2100
188	H89     6.6175    12.7716    -3.5609	H	1	noname	0.2181
189	H90    15.7588    12.3949    -1.1191	H	1	noname	0.2213
190	H91    11.2916     9.3243    11.2546	H	1	noname	0.2213
191	H92    20.1178     5.8400     6.0852	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	74	1
3	2	81	1
4	3	47	2
5	4	54	1
6	4	189	1
7	5	55	1
8	5	190	1
9	6	55	2
10	7	54	2
11	8	57	2
12	9	58	1
13	9	191	1
14	10	58	2
15	11	61	2
16	12	63	2
17	13	69	1
18	13	173	1
19	14	66	2
20	15	70	2
21	16	75	2
22	17	83	2
23	18	89	1
24	18	186	1
25	19	94	1
26	19	187	1
27	20	99	1
28	20	188	1
29	21	35	1
30	21	36	1
31	21	43	1
32	22	37	1
33	22	39	1
34	22	45	1
35	23	38	1
36	23	40	1
37	23	44	1
38	24	41	1
39	24	42	1
40	24	46	1
41	25	47	1
42	49	25	1
43	25	129	1
44	26	48	1
45	26	57	1
46	26	134	1
47	27	50	1
48	27	66	1
49	27	138	1
50	28	61	1
51	28	62	1
52	28	143	1
53	29	63	1
54	64	29	1
55	29	146	1
56	30	59	1
57	30	70	1
58	30	148	1
59	31	72	1
60	31	73	1
61	31	155	1
62	32	75	1
63	32	76	1
64	32	156	1
65	33	83	1
66	86	33	1
67	33	168	1
68	34	77	1
69	34	174	1
70	34	175	1
71	35	38	1
72	35	100	1
73	35	103	1
74	36	37	1
75	36	101	1
76	36	102	1
77	37	104	1
78	37	105	1
79	38	106	1
80	38	107	1
81	39	42	1
82	39	109	1
83	39	110	1
84	40	41	1
85	40	108	1
86	40	111	1
87	41	113	1
88	41	114	1
89	42	112	1
90	42	115	1
91	43	47	1
92	43	116	1
93	43	117	1
94	44	54	1
95	44	120	1
96	44	121	1
97	45	55	1
98	45	118	1
99	45	119	1
100	46	58	1
101	46	122	1
102	46	123	1
103	48	51	1
104	48	61	1
105	48	124	1
106	49	56	1
107	49	63	1
108	49	125	1
109	50	52	1
110	50	57	1
111	50	126	1
112	51	53	1
113	51	127	1
114	51	128	1
115	52	60	1
116	52	130	1
117	52	131	1
118	53	65	1
119	53	132	1
120	53	133	1
121	56	71	1
122	56	135	1
123	56	136	1
124	59	66	1
125	59	68	1
126	59	137	1
127	60	67	1
128	60	72	2
129	62	69	1
130	62	75	1
131	62	139	1
132	64	70	1
133	64	74	1
134	64	140	1
135	65	77	1
136	65	141	1
137	65	142	1
138	67	73	1
139	67	79	2
140	68	78	1
141	68	144	1
142	68	145	1
143	69	80	1
144	69	147	1
145	71	84	2
146	71	85	1
147	72	149	1
148	73	82	2
149	74	150	1
150	74	151	1
151	76	81	1
152	76	83	1
153	76	152	1
154	77	153	1
155	77	154	1
156	78	90	2
157	78	91	1
158	79	87	1
159	79	157	1
160	80	158	1
161	80	159	1
162	80	160	1
163	81	161	1
164	81	162	1
165	82	88	1
166	82	163	1
167	84	92	1
168	84	165	1
169	85	93	2
170	85	166	1
171	86	89	1
172	86	94	1
173	86	164	1
174	87	88	2
175	87	167	1
176	88	169	1
177	89	98	1
178	89	170	1
179	90	96	1
180	90	171	1
181	91	97	2
182	91	172	1
183	92	95	2
184	92	176	1
185	93	95	1
186	93	177	1
187	94	178	1
188	94	179	1
189	95	180	1
190	96	99	2
191	96	181	1
192	97	99	1
193	97	182	1
194	98	183	1
195	98	184	1
196	98	185	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
