@<TRIPOS>MOLECULE
DB07531
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -5.7048    -7.3986    -8.1994	S	1	noname	-0.1207
2	O1    -4.6407    -8.1876    -9.0788	O.2	1	noname	-0.1996
3	O2    -6.6005    -6.4856    -9.1440	O.2	1	noname	-0.1996
4	N1    -6.7150    -8.5299    -7.3630	N.3	1	noname	-0.0106
5	C1    -4.8789    -6.4036    -7.0501	C.2	1	noname	0.0290
6	C2    -3.5512    -5.9599    -7.3592	C.2	1	noname	0.0211
7	C3    -5.5510    -6.0623    -5.8379	C.2	1	noname	0.0211
8	C4    -2.8809    -5.1089    -6.4210	C.2	1	noname	-0.0063
9	C5    -4.8730    -5.2164    -4.9158	C.2	1	noname	-0.0063
10	C6    -3.5531    -4.7049    -5.2113	C.2	1	noname	0.0016
11	C7    -3.0222    -3.7770    -4.2682	C.2	1	noname	0.0495
12	O3    -3.8033    -3.1731    -3.3414	O.3	1	noname	-0.3644
13	C8    -1.7002    -3.3583    -4.0416	C.2	1	noname	0.0059
14	C9    -3.0168    -2.5181    -2.4778	C.2	1	noname	0.0449
15	C10    -1.6956    -2.5411    -2.9144	C.2	1	noname	0.0071
16	C11    -3.4001    -2.1152    -1.2340	C.2	1	noname	0.0532
17	C12    -4.3945    -2.6861    -0.5559	C.2	1	noname	0.0880
18	S2    -5.4722    -3.9715    -0.9902	S.3	1	noname	0.0020
19	C13    -4.6347    -2.4693     0.8249	C.2	1	noname	0.0801
20	C14    -5.9702    -4.4958     0.6986	C.2	1	noname	0.0949
21	O4    -4.6554    -1.3731     1.4253	O.2	1	noname	-0.2827
22	N2    -4.8575    -3.8231     1.4113	N.3	1	noname	0.0905
23	O5    -6.9267    -5.1878     1.1093	O.2	1	noname	-0.2709
24	H1    -7.6620    -8.2771    -7.1192	H	1	noname	0.1404
25	H2    -6.3572    -9.4423    -7.1192	H	1	noname	0.1404
26	H3    -3.0629    -6.2625    -8.2855	H	1	noname	0.0639
27	H4    -6.5518    -6.4365    -5.6227	H	1	noname	0.0639
28	H5    -1.8653    -4.7706    -6.6264	H	1	noname	0.0630
29	H6    -5.3671    -4.9589    -3.9790	H	1	noname	0.0630
30	H7    -0.8272    -3.6224    -4.6385	H	1	noname	0.0651
31	H8    -0.8419    -2.0297    -2.4698	H	1	noname	0.0651
32	H9    -2.8801    -1.2868    -0.7528	H	1	noname	0.0664
33	H10    -4.3335    -4.2240     2.1760	H	1	noname	0.1413
@<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	17	18	1
20	17	19	1
21	18	20	1
22	19	21	2
23	19	22	1
24	20	23	2
25	20	22	1
26	4	24	1
27	4	25	1
28	6	26	1
29	7	27	1
30	8	28	1
31	9	29	1
32	13	30	1
33	15	31	1
34	16	32	1
35	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1