@<TRIPOS>MOLECULE
DB01964
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0380    -0.9401     0.3836	S	1	noname	-0.0635
2	O1    -0.9986    -2.1253    -0.7841	O.2	1	noname	-0.1876
3	O2    -2.5656    -0.6513    -0.1993	O.2	1	noname	-0.1876
4	N1    -1.1656     0.9065     0.7751	N.3	1	noname	0.0868
5	C1     0.6178    -0.4288    -0.3369	C.2	1	noname	0.1303
6	C2    -0.2514     1.2313     1.6994	C.2	1	noname	-0.0329
7	C3    -1.1280     1.9129    -0.3428	C.3	1	noname	0.0521
8	S2     2.2559    -0.9679     0.0319	S.3	1	noname	-0.0766
9	C4     0.7742     0.6490    -1.2120	C.2	1	noname	0.0857
10	C5    -0.2781     0.6208     2.9479	C.2	1	noname	-0.0325
11	C6     0.7235     2.1788     1.4098	C.2	1	noname	-0.0325
12	C7    -0.4335     1.3965    -1.6407	C.3	1	noname	0.0960
13	C8     3.1594     0.1904    -0.9458	C.2	1	noname	0.1228
14	C9     2.1253     0.9744    -1.5008	C.2	1	noname	0.0791
15	C10     0.6701     0.9577     3.9067	C.2	1	noname	-0.0273
16	C11     1.6717     2.5157     2.3687	C.2	1	noname	-0.0273
17	O3    -1.3122     0.5204    -2.3312	O.3	1	noname	-0.3868
18	S3     4.8696     0.3291    -1.1667	S	1	noname	-0.0934
19	C12     1.6451     1.9052     3.6171	C.2	1	noname	-0.0122
20	O4     5.5249    -1.1195    -1.1533	O.2	1	noname	-0.1937
21	O5     5.4871     1.2012     0.0106	O.2	1	noname	-0.1937
22	N2     5.1952     1.0960    -2.6852	N.3	1	noname	-0.0056
23	O6     2.5660     2.2325     4.5484	O.3	1	noname	-0.2801
24	C13     3.6939     1.3795     4.4189	C.3	1	noname	0.0423
25	H1    -2.1722     2.0899    -0.6004	H	1	noname	0.0480
26	H2    -0.5130     2.7309     0.0324	H	1	noname	0.0480
27	H3    -1.0426    -0.1222     3.1750	H	1	noname	0.0640
28	H4     0.7444     2.6576     0.4308	H	1	noname	0.0640
29	H5    -0.1782     2.1703    -2.3647	H	1	noname	0.0666
30	H6     2.3670     1.8204    -2.1442	H	1	noname	0.0652
31	H7     0.6492     0.4790     4.8857	H	1	noname	0.0650
32	H8     2.4363     3.2587     2.1416	H	1	noname	0.0650
33	H9    -1.8218     0.0122    -1.6959	H	1	noname	0.2109
34	H10     4.4349     1.3196    -3.3113	H	1	noname	0.1404
35	H11     6.1454     1.3196    -2.9445	H	1	noname	0.1404
36	H12     4.0572     1.1047     5.4091	H	1	noname	0.0535
37	H13     3.4083     0.4797     3.8741	H	1	noname	0.0535
38	H14     4.4819     1.8994     3.8741	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	12	17	1
18	13	18	1
19	13	14	2
20	15	19	2
21	16	19	1
22	18	20	2
23	18	21	2
24	18	22	1
25	19	23	1
26	23	24	1
27	7	25	1
28	7	26	1
29	10	27	1
30	11	28	1
31	12	29	1
32	14	30	1
33	15	31	1
34	16	32	1
35	17	33	1
36	22	34	1
37	22	35	1
38	24	36	1
39	24	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1