@<TRIPOS>MOLECULE
91827084
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.3790    -0.1867     0.5584	O.2	1	noname	-0.2699
2	N1    -3.0425    -2.1980     1.9927	N.3	1	noname	-0.2926
3	N2    -0.5854    -1.0587    -0.5815	N.3	1	noname	-0.1368
4	C1    -2.4585    -1.5357     3.1973	C.3	1	noname	-0.0010
5	C2    -3.6616    -3.3543     2.6801	C.3	1	noname	-0.0010
6	C3    -3.6422    -1.4788     4.1625	C.3	1	noname	-0.0392
7	C4    -4.3426    -2.8178     3.9360	C.3	1	noname	-0.0392
8	C5    -2.0978    -2.5396     0.8585	C.3	1	noname	0.0813
9	C6    -2.7205    -3.2216    -0.3900	C.3	1	noname	-0.0410
10	C7    -1.7009    -1.1977     0.2746	C.2	1	noname	0.1377
11	C8    -0.0952     0.1607    -0.9142	C.2	1	noname	-0.0296
12	C9    -0.0161     1.2968    -0.0250	C.2	1	noname	-0.0344
13	C10     0.3246     0.2657    -2.2846	C.2	1	noname	-0.0386
14	C11     0.4544     2.5447    -0.5009	C.2	1	noname	-0.0606
15	C12    -0.4229     1.1575     1.3703	C.3	1	noname	0.0053
16	C13     0.8016     1.5097    -2.7751	C.2	1	noname	-0.0642
17	C14     0.8560     2.6298    -1.8727	C.2	1	noname	-0.0641
18	H1    -4.4077    -3.8080     2.0278	H	1	noname	0.0430
19	H2    -2.8732    -4.0576     2.9484	H	1	noname	0.0430
20	H3    -2.1497    -0.5223     2.9409	H	1	noname	0.0430
21	H4    -1.6467    -2.1467     3.5921	H	1	noname	0.0430
22	H5    -5.3991    -2.6452     3.7308	H	1	noname	0.0280
23	H6    -4.2020    -3.5244     4.7540	H	1	noname	0.0280
24	H7    -4.3087    -0.6665     3.8726	H	1	noname	0.0280
25	H8    -3.3444    -1.3195     5.1989	H	1	noname	0.0280
26	H9    -1.2162    -3.0873     1.2191	H	1	noname	0.0561
27	H10    -1.9402    -3.4127    -1.1267	H	1	noname	0.0251
28	H11    -3.4762    -2.5662    -0.8230	H	1	noname	0.0251
29	H12    -3.1821    -4.1644    -0.0967	H	1	noname	0.0251
30	H13    -0.1606    -1.8539    -0.9394	H	1	noname	0.1371
31	H14     0.2802    -0.5467    -2.8997	H	1	noname	0.0639
32	H15     0.5057     3.3570     0.1138	H	1	noname	0.0625
33	H16    -1.2408     1.8465     1.5808	H	1	noname	0.0280
34	H17    -0.7535     0.1348     1.5519	H	1	noname	0.0280
35	H18     0.4218     1.3871     2.0197	H	1	noname	0.0280
36	H19     1.0993     1.6076    -3.7458	H	1	noname	0.0623
37	H20     1.1958     3.5242    -2.2263	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	10	2
2	2	4	1
3	2	5	1
4	2	8	1
5	3	10	1
6	3	11	1
7	3	30	1
8	4	6	1
9	4	20	1
10	4	21	1
11	5	7	1
12	5	18	1
13	5	19	1
14	6	7	1
15	6	24	1
16	6	25	1
17	7	22	1
18	7	23	1
19	8	9	1
20	8	10	1
21	8	26	1
22	9	27	1
23	9	28	1
24	9	29	1
25	11	12	1
26	11	13	2
27	12	14	2
28	12	15	1
29	13	16	1
30	13	31	1
31	14	17	1
32	14	32	1
33	15	33	1
34	15	34	1
35	15	35	1
36	16	17	2
37	16	36	1
38	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1