@<TRIPOS>MOLECULE
DB03132
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.2783     6.8660    -1.0015	S	1	noname	0.0265
2	O1     6.7602     7.9610     0.0457	O.2	1	noname	-0.1609
3	O2     6.1360     7.5328    -2.4379	O.2	1	noname	-0.1609
4	O3     7.4126     5.6152    -1.0709	O.3	1	noname	-0.1456
5	C1     4.6855     6.2037    -0.4871	C.3	1	noname	0.0830
6	C2     4.3481     4.9733    -1.3315	C.3	1	noname	-0.0250
7	C3     2.9943     4.4103    -0.8942	C.3	1	noname	0.0016
8	S2     2.5972     2.9627    -1.8876	S.3	1	noname	-0.0474
9	C4     1.0665     2.3262    -1.3932	C.2	1	noname	0.1037
10	S3     0.2026     0.9211    -2.0289	S.3	1	noname	-0.1578
11	N1     0.2350     2.7840    -0.4218	N.2	1	noname	-0.1978
12	C5    -1.2053     0.9790    -0.9799	C.2	1	noname	0.0403
13	C6    -0.9414     2.1296    -0.1838	C.2	1	noname	0.0317
14	C7    -2.3650     0.1655    -0.8515	C.2	1	noname	-0.0138
15	C8    -1.8916     2.5244     0.8025	C.2	1	noname	-0.0097
16	C9    -3.3016     0.5783     0.1463	C.2	1	noname	-0.0470
17	C10    -3.0726     1.7355     0.9576	C.2	1	noname	-0.0445
18	H1     7.6524     5.3508    -0.1797	H	1	noname	0.2384
19	H2     4.7655     5.8116     0.5268	H	1	noname	0.0488
20	H3     3.8986     6.9158    -0.7356	H	1	noname	0.0488
21	H4     4.2281     5.3194    -2.3581	H	1	noname	0.0289
22	H5     5.0950     4.2153    -1.0957	H	1	noname	0.0289
23	H6     3.1583     4.1074     0.1400	H	1	noname	0.0385
24	H7     2.2914     5.2115    -1.1225	H	1	noname	0.0385
25	H8    -2.5251    -0.7140    -1.4751	H	1	noname	0.0638
26	H9    -1.7197     3.4053     1.4210	H	1	noname	0.0645
27	H10    -4.2120    -0.0032     0.2918	H	1	noname	0.0623
28	H11    -3.8107     2.0212     1.7071	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	2
11	10	12	1
12	11	13	1
13	12	14	1
14	12	13	2
15	13	15	1
16	14	16	2
17	15	17	2
18	16	17	1
19	4	18	1
20	5	19	1
21	5	20	1
22	6	21	1
23	6	22	1
24	7	23	1
25	7	24	1
26	14	25	1
27	15	26	1
28	16	27	1
29	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1