@<TRIPOS>MOLECULE
117604931
40 43 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.4607     2.8875     0.9436	S.3	1	noname	-0.1148
2	F1     5.8752     0.6336     5.6400	F	1	noname	-0.1634
3	O1     5.0457    -0.9574    -0.3804	O.2	1	noname	-0.2945
4	N1     2.8716    -1.1629     0.1699	N.3	1	noname	-0.0598
5	N2     0.4328     0.0425     0.2744	N.3	1	noname	0.0337
6	N3     0.8036     1.2547    -1.5111	N.2	1	noname	-0.1487
7	N4    -0.1855     1.7948    -0.8906	N.2	1	noname	-0.1334
8	N5    -2.3289     0.4833     1.6303	N.2	1	noname	-0.1546
9	N6    -3.8537     2.2358     1.6667	N.2	1	noname	-0.1610
10	C1     2.3151    -0.7909    -1.1447	C.3	1	noname	0.0727
11	C2     1.9148    -1.8311     1.0851	C.3	1	noname	0.0232
12	C3     0.6170    -0.9810     1.2716	C.3	1	noname	0.0328
13	C4     1.2007     0.1591    -0.8262	C.2	1	noname	0.0301
14	C5     3.1492    -0.2379    -2.3387	C.3	1	noname	-0.0419
15	C6    -0.4513     1.0629     0.2021	C.2	1	noname	0.0416
16	C7     4.1771    -0.8391     0.5215	C.2	1	noname	0.0158
17	C8     4.6181    -0.3716     1.8063	C.2	1	noname	-0.0142
18	C9    -1.5799     1.3732     0.9618	C.2	1	noname	0.1423
19	C10     6.0031    -0.1521     2.0752	C.2	1	noname	-0.0001
20	C11     3.6994    -0.0507     2.8585	C.2	1	noname	-0.0001
21	C12     6.4315     0.2024     3.3772	C.2	1	noname	0.0064
22	C13     4.1316     0.1322     4.1785	C.2	1	noname	0.0064
23	C14    -3.5554     0.9545     1.9700	C.2	1	noname	0.1002
24	C15     5.4882     0.3193     4.4365	C.2	1	noname	0.0380
25	C16    -4.5516     0.0912     2.5934	C.3	1	noname	0.0747
26	H1     1.8790    -1.7029    -1.5621	H	1	noname	0.0551
27	H2     1.6386    -2.8091     0.6780	H	1	noname	0.0452
28	H3     2.3019    -2.0069     2.0865	H	1	noname	0.0452
29	H4    -0.2510    -1.6403     1.2802	H	1	noname	0.0487
30	H5     0.6197    -0.4720     2.2354	H	1	noname	0.0487
31	H6     2.4895    -0.0468    -3.1851	H	1	noname	0.0251
32	H7     3.6375     0.6903    -2.0418	H	1	noname	0.0251
33	H8     3.9042    -0.9703    -2.6246	H	1	noname	0.0251
34	H9     6.7078    -0.2370     1.3504	H	1	noname	0.0631
35	H10     2.7012     0.0588     2.6968	H	1	noname	0.0631
36	H11     7.4316     0.4175     3.5212	H	1	noname	0.0653
37	H12     3.4368     0.1540     4.9331	H	1	noname	0.0653
38	H13    -4.7785    -0.7414     1.9276	H	1	noname	0.0312
39	H14    -5.4601     0.6628     2.7830	H	1	noname	0.0312
40	H15    -4.1608    -0.2931     3.5356	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	9	1
2	1	18	1
3	2	24	1
4	3	16	2
5	4	10	1
6	4	11	1
7	4	16	1
8	5	12	1
9	5	13	1
10	5	15	1
11	6	7	1
12	6	13	2
13	7	15	2
14	8	18	2
15	8	23	1
16	9	23	2
17	10	13	1
18	10	14	1
19	10	26	1
20	11	12	1
21	11	27	1
22	11	28	1
23	12	29	1
24	12	30	1
25	14	31	1
26	14	32	1
27	14	33	1
28	15	18	1
29	16	17	1
30	17	19	2
31	17	20	1
32	19	21	1
33	19	34	1
34	20	22	2
35	20	35	1
36	21	24	2
37	21	36	1
38	22	24	1
39	22	37	1
40	23	25	1
41	25	38	1
42	25	39	1
43	25	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1