@<TRIPOS>MOLECULE
118796432
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.3450    -4.2051     0.4312	S.3	1	noname	-0.2385
2	N1    -5.5590    -0.9253    -2.5420	N.3	1	noname	-0.3194
3	C1     1.4012    -1.4443    -0.1289	C.3	1	noname	0.0170
4	C2     0.4453    -2.3864    -0.8644	C.3	1	noname	0.0318
5	C3     0.9293    -0.1725     0.4955	C.2	1	noname	-0.0426
6	C4    -1.5946    -0.2774     0.0314	C.2	1	noname	-0.0333
7	C5    -0.4212     0.3231     0.6085	C.2	1	noname	-0.0441
8	C6    -1.7516    -1.6621     0.2332	C.2	1	noname	-0.0151
9	C7    -0.7832    -2.6258    -0.0945	C.2	1	noname	0.0224
10	C8    -2.4394     0.4737    -0.7391	C.2	1	noname	-0.0527
11	C9     2.0127     0.5559     1.0542	C.2	1	noname	-0.0604
12	C10    -2.9121    -2.2885     0.8021	C.2	1	noname	-0.0172
13	C11    -0.6083     1.5001     1.3797	C.2	1	noname	-0.0482
14	C12    -3.5690     0.1569    -1.6273	C.3	1	noname	-0.0215
15	C13    -2.9535    -3.6883     0.8526	C.2	1	noname	0.0007
16	C14    -4.6071    -0.9495    -1.4326	C.3	1	noname	-0.0016
17	C15     1.7845     1.7440     1.7574	C.2	1	noname	-0.0611
18	C16     0.4733     2.2001     1.9413	C.2	1	noname	-0.0649
19	C17    -6.5511    -1.9829    -2.3560	C.3	1	noname	-0.0164
20	H1     1.9831    -2.0116     0.5975	H	1	noname	0.0320
21	H2     2.1981    -1.1723    -0.8209	H	1	noname	0.0320
22	H3     0.1891    -1.9596    -1.8340	H	1	noname	0.0328
23	H4     0.9709    -3.3249    -1.0410	H	1	noname	0.0328
24	H5    -2.2447     1.4539    -0.8133	H	1	noname	0.0583
25	H6     2.9940     0.2472     0.9709	H	1	noname	0.0625
26	H7    -3.7016    -1.7673     1.2042	H	1	noname	0.0637
27	H8    -4.0714     1.0791    -1.9192	H	1	noname	0.0323
28	H9    -3.0876    -0.1359    -2.5603	H	1	noname	0.0323
29	H10    -1.5527     1.8636     1.5565	H	1	noname	0.0629
30	H11    -3.7891    -4.2467     1.0297	H	1	noname	0.0739
31	H12    -5.1382    -0.7885    -0.4945	H	1	noname	0.0431
32	H13    -4.1059    -1.9171    -1.4049	H	1	noname	0.0431
33	H14     2.5775     2.2672     2.1337	H	1	noname	0.0622
34	H15     0.3159     3.0510     2.4877	H	1	noname	0.0622
35	H16    -5.0609    -1.0763    -3.4216	H	1	noname	0.1219
36	H17    -7.2608    -1.9649    -3.1831	H	1	noname	0.0391
37	H18    -7.0823    -1.8218    -1.4179	H	1	noname	0.0391
38	H19    -6.0500    -2.9505    -2.3283	H	1	noname	0.0391
@<TRIPOS>BOND
1	1	9	1
2	1	15	1
3	2	16	1
4	2	19	1
5	2	35	1
6	3	4	1
7	3	5	1
8	3	20	1
9	3	21	1
10	4	9	1
11	4	22	1
12	4	23	1
13	5	7	1
14	5	11	2
15	6	7	1
16	6	8	1
17	6	10	2
18	7	13	2
19	8	9	2
20	8	12	1
21	10	14	1
22	10	24	1
23	11	17	1
24	11	25	1
25	12	15	2
26	12	26	1
27	13	18	1
28	13	29	1
29	14	16	1
30	14	27	1
31	14	28	1
32	15	30	1
33	16	31	1
34	16	32	1
35	17	18	2
36	17	33	1
37	18	34	1
38	19	36	1
39	19	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1