@<TRIPOS>MOLECULE
DB04508
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.3395    -1.3386    -0.0322	S.2	1	noname	-0.1445
2	C1    -1.6717     0.2240     0.0145	C.2	1	noname	0.0646
3	C2    -0.1532     0.4077    -0.0074	C.3	1	noname	0.1176
4	O1     0.3738    -0.1767    -1.2393	O.3	1	noname	-0.3387
5	C3     0.1454     1.9258     0.2194	C.3	1	noname	0.1133
6	C4     1.6132     0.3502    -1.7975	C.3	1	noname	0.1863
7	O2    -0.9999     2.5557     0.7743	O.3	1	noname	-0.3871
8	C5     0.5426     2.6412    -1.0902	C.3	1	noname	0.1137
9	O3     1.8671    -0.2658    -3.0515	O.3	1	noname	-0.3530
10	C6     1.5821     1.9022    -1.9764	C.3	1	noname	0.1334
11	O4    -0.6234     2.9119    -1.8541	O.3	1	noname	-0.3873
12	C7     1.9873    -1.6695    -2.8735	C.3	1	noname	0.0389
13	O5     2.8760     2.4330    -1.7308	O.3	1	noname	-0.3849
14	H1    -2.2434     1.1508     0.0606	H	1	noname	0.0729
15	H2     0.3796    -0.1688     0.7488	H	1	noname	0.0687
16	H3     0.9349     2.0560     0.9596	H	1	noname	0.0660
17	H4     2.4035     0.0323    -1.1175	H	1	noname	0.0951
18	H5    -0.9480     2.5272     1.7325	H	1	noname	0.2107
19	H6     0.9691     3.6052    -0.8128	H	1	noname	0.0658
20	H7     1.3550     2.1266    -3.0186	H	1	noname	0.0682
21	H8    -1.3605     3.0830    -1.2633	H	1	noname	0.2106
22	H9     2.0071    -1.9003    -1.8084	H	1	noname	0.0530
23	H10     1.1368    -2.1687    -3.3378	H	1	noname	0.0530
24	H11     2.9103    -2.0169    -3.3378	H	1	noname	0.0530
25	H12     3.0228     2.4932    -0.7840	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	2	2
2	3	2	1
3	3	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	8	11	1
11	8	10	1
12	9	12	1
13	10	13	1
14	2	14	1
15	3	15	1
16	5	16	1
17	6	17	1
18	7	18	1
19	8	19	1
20	10	20	1
21	11	21	1
22	12	22	1
23	12	23	1
24	12	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1