@<TRIPOS>MOLECULE
DB04371
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.2998    -2.2427    -0.3303	S	1	noname	-0.0530
2	O1     2.2645    -3.5710    -0.0550	O.2	1	noname	-0.1851
3	O2     2.7758    -1.5031    -0.6041	O.2	1	noname	-0.1851
4	N1     1.0510    -0.6909     0.6182	N.3	1	noname	0.1093
5	C1     0.2151    -2.9920     1.0266	C.2	1	noname	0.1154
6	C2    -0.1945    -0.2394     0.4173	C.2	1	noname	-0.0097
7	C3     1.3537    -0.5961     1.9085	C.2	1	noname	-0.0287
8	S2    -1.0371    -4.2249     0.9528	S.3	1	noname	-0.0908
9	C4     0.2251    -2.6406     2.3876	C.2	1	noname	0.0835
10	C5    -0.6192     0.0803    -0.8670	C.2	1	noname	-0.0081
11	C6    -1.0619    -0.0909     1.4933	C.2	1	noname	-0.0487
12	C7     0.9782    -1.5457     2.7804	C.2	1	noname	-0.0029
13	C8    -1.4252    -4.3698     2.6671	C.2	1	noname	0.1226
14	C9    -0.6078    -3.3894     3.2562	C.2	1	noname	0.0782
15	C10    -1.9112     0.5487    -1.0754	C.2	1	noname	0.0034
16	C11    -2.3540     0.3775     1.2849	C.2	1	noname	-0.0480
17	S3    -2.5368    -5.4509     3.4341	S	1	noname	-0.0933
18	O3    -2.3236     0.8592    -2.3228	O.3	1	noname	-0.2765
19	C12    -2.7786     0.6972     0.0005	C.2	1	noname	-0.0375
20	O4    -2.3324    -5.3913     5.0098	O.2	1	noname	-0.1936
21	O5    -2.2741    -6.9328     2.9213	O.2	1	noname	-0.1936
22	N2    -4.1584    -4.9840     3.0442	N.3	1	noname	-0.0056
23	C13    -2.8962    -0.2888    -2.9316	C.3	1	noname	0.0423
24	H1     1.9165     0.2704     2.2557	H	1	noname	0.0770
25	H2     0.0610    -0.0362    -1.7107	H	1	noname	0.0667
26	H3    -0.7289    -0.3416     2.5004	H	1	noname	0.0639
27	H4     1.2882    -1.4263     3.8185	H	1	noname	0.0640
28	H5    -0.6192    -3.2183     4.3326	H	1	noname	0.0655
29	H6    -3.0341     0.4940     2.1286	H	1	noname	0.0624
30	H7    -3.7918     1.0645    -0.1629	H	1	noname	0.0650
31	H8    -4.3893    -4.0073     2.9305	H	1	noname	0.1404
32	H9    -4.8733    -5.6884     2.9305	H	1	noname	0.1404
33	H10    -3.2393    -0.9768    -2.1589	H	1	noname	0.0535
34	H11    -3.7408     0.0118    -3.5516	H	1	noname	0.0535
35	H12    -2.1479    -0.7826    -3.5516	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	2
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	10	25	1
28	11	26	1
29	12	27	1
30	14	28	1
31	16	29	1
32	19	30	1
33	22	31	1
34	22	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1