@<TRIPOS>MOLECULE
DB07540
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.5469    -7.5893    -8.1170	S	1	noname	-0.1207
2	O1    -4.4109    -8.3774    -8.9022	O.2	1	noname	-0.1996
3	O2    -6.4358    -6.7713    -9.1509	O.2	1	noname	-0.1996
4	N1    -6.5459    -8.7164    -7.2619	N.3	1	noname	-0.0106
5	C1    -4.8178    -6.4958    -6.9920	C.2	1	noname	0.0291
6	C2    -3.5151    -5.9811    -7.2854	C.2	1	noname	0.0211
7	C3    -5.5443    -6.1466    -5.8098	C.2	1	noname	0.0211
8	C4    -2.9125    -5.0864    -6.3497	C.2	1	noname	-0.0062
9	C5    -4.9294    -5.2467    -4.8841	C.2	1	noname	-0.0062
10	C6    -3.6065    -4.7177    -5.1449	C.2	1	noname	0.0016
11	C7    -3.0068    -3.8369    -4.1947	C.2	1	noname	0.0506
12	O3    -3.7599    -3.1260    -3.3262	O.3	1	noname	-0.3628
13	C8    -1.6585    -3.5646    -3.9030	C.2	1	noname	0.0064
14	C9    -2.9744    -2.4759    -2.4460	C.2	1	noname	0.0464
15	C10    -1.6404    -2.6981    -2.8059	C.2	1	noname	0.0086
16	C11    -3.4169    -1.9773    -1.2267	C.2	1	noname	0.0557
17	C12    -4.5133    -2.4859    -0.6094	C.2	1	noname	0.0773
18	C13    -2.7011    -0.9046    -0.6088	C.3	1	noname	-0.0359
19	S2    -5.6256    -3.7197    -1.1161	S.3	1	noname	-0.0423
20	C14    -4.7546    -2.4471     0.8085	C.2	1	noname	0.0691
21	C15    -5.5524    -4.7650     0.3954	C.2	1	noname	0.0010
22	O4    -4.8481    -1.4067     1.4952	O.2	1	noname	-0.2845
23	N2    -4.8770    -3.8485     1.3382	N.3	1	noname	0.0524
24	N3    -5.9703    -5.9554     0.5798	N.2	1	noname	-0.2498
25	H1    -7.4918    -8.4649    -7.0126	H	1	noname	0.1404
26	H2    -6.1826    -9.6252    -7.0126	H	1	noname	0.1404
27	H3    -2.9940    -6.2639    -8.2001	H	1	noname	0.0639
28	H4    -6.5372    -6.5543    -5.6201	H	1	noname	0.0639
29	H5    -1.9207    -4.6840    -6.5556	H	1	noname	0.0630
30	H6    -5.4687    -4.9641    -3.9800	H	1	noname	0.0630
31	H7    -0.7876    -3.9538    -4.4304	H	1	noname	0.0651
32	H8    -0.7576    -2.2773    -2.3246	H	1	noname	0.0651
33	H9    -2.7657    -1.0014     0.4750	H	1	noname	0.0281
34	H10    -1.6557    -0.9413    -0.9151	H	1	noname	0.0281
35	H11    -3.1363     0.0467    -0.9151	H	1	noname	0.0281
36	H12    -4.5377    -4.1461     2.2417	H	1	noname	0.1395
37	H13    -6.0350    -6.1399     1.5707	H	1	noname	0.1893
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	1
13	11	13	2
14	12	14	1
15	13	15	1
16	14	16	1
17	14	15	2
18	16	17	2
19	16	18	1
20	17	19	1
21	17	20	1
22	19	21	1
23	20	22	2
24	20	23	1
25	21	24	2
26	21	23	1
27	4	25	1
28	4	26	1
29	6	27	1
30	7	28	1
31	8	29	1
32	9	30	1
33	13	31	1
34	15	32	1
35	18	33	1
36	18	34	1
37	18	35	1
38	23	36	1
39	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1