@<TRIPOS>MOLECULE
DB02602
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.8660    -0.2869    -0.1039	S	1	noname	-0.0656
2	O1    -3.2065    -1.2226    -0.4155	O.2	1	noname	-0.1879
3	O2    -1.0248    -1.6809    -0.4291	O.2	1	noname	-0.1879
4	N1    -0.3522     0.0126     0.9907	N.3	1	noname	0.0899
5	C1    -2.7914     0.1984     1.4551	C.2	1	noname	0.1227
6	C2    -0.2658     1.3167     1.2864	C.2	1	noname	-0.0130
7	C3    -0.1617    -0.7993     2.2431	C.3	1	noname	0.0259
8	S2    -3.9615     1.4837     1.7531	S.3	1	noname	-0.0789
9	C4    -2.5169    -0.3470     2.7118	C.2	1	noname	0.0746
10	C5    -0.1340     2.2531     0.2676	C.2	1	noname	-0.0146
11	C6    -0.3078     1.7331     2.6119	C.2	1	noname	-0.0553
12	C7    -1.4807    -1.4036     2.8163	C.3	1	noname	-0.0107
13	C8    -4.1123     1.3255     3.5041	C.2	1	noname	0.1207
14	C9    -3.2067     0.2794     3.7826	C.2	1	noname	0.0712
15	C10    -0.0444     3.6059     0.5743	C.2	1	noname	0.0017
16	C11    -0.2182     3.0859     2.9186	C.2	1	noname	-0.0497
17	S3    -5.1113     2.2207     4.5965	S	1	noname	-0.0937
18	O3     0.0836     4.5153    -0.4152	O.3	1	noname	-0.2766
19	C12    -0.0865     4.0223     1.8998	C.2	1	noname	-0.0428
20	O4    -4.7818     1.7891     6.0909	O.2	1	noname	-0.1937
21	O5    -4.8294     3.7755     4.4195	O.2	1	noname	-0.1937
22	N2    -6.7775     1.8936     4.2551	N.3	1	noname	-0.0056
23	C13    -1.2041     4.9396    -0.8375	C.3	1	noname	0.0423
24	H1     0.4598    -1.6428     1.9426	H	1	noname	0.0453
25	H2     0.2031    -0.0914     2.9874	H	1	noname	0.0453
26	H3    -0.1010     1.9266    -0.7718	H	1	noname	0.0667
27	H4    -0.4111     0.9988     3.4108	H	1	noname	0.0639
28	H5    -1.7966    -2.2138     2.1592	H	1	noname	0.0330
29	H6    -1.3344    -1.5903     3.8802	H	1	noname	0.0330
30	H7    -3.0421    -0.0407     4.8115	H	1	noname	0.0651
31	H8    -0.2512     3.4124     3.9580	H	1	noname	0.0624
32	H9    -0.0162     5.0831     2.1403	H	1	noname	0.0650
33	H10    -7.4319     2.6565     4.1556	H	1	noname	0.1404
34	H11    -7.0948     0.9399     4.1556	H	1	noname	0.1404
35	H12    -1.8239     5.1438     0.0356	H	1	noname	0.0535
36	H13    -1.1099     5.8456    -1.4361	H	1	noname	0.0535
37	H14    -1.6669     4.1551    -1.4361	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	1
14	9	12	1
15	10	15	1
16	11	16	2
17	13	17	1
18	13	14	2
19	15	18	1
20	15	19	2
21	16	19	1
22	17	20	2
23	17	21	2
24	17	22	1
25	18	23	1
26	7	24	1
27	7	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	12	29	1
32	14	30	1
33	16	31	1
34	19	32	1
35	22	33	1
36	22	34	1
37	23	35	1
38	23	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1