@<TRIPOS>MOLECULE
DB01981
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.2745    -1.9590    -0.1667	S	1	noname	0.0219
2	O1     3.5841    -1.8581     0.7293	O.2	1	noname	-0.1285
3	O2     1.2738    -3.0153     0.4744	O.2	1	noname	-0.1285
4	O3     1.5249    -0.4462    -0.2412	O.3	1	noname	-0.0995
5	O4     2.6956    -2.4564    -1.7260	O.3	1	noname	-0.1166
6	C1     1.4168    -0.0377    -1.5969	C.3	1	noname	0.1623
7	C2     0.7209     1.3668    -1.6660	C.3	1	noname	0.1860
8	C3     2.8415     0.0089    -2.2429	C.3	1	noname	0.1192
9	O5     1.6661     2.4945    -1.7322	O.3	1	noname	-0.3414
10	O6    -0.1312     1.5287    -0.5416	O.3	1	noname	-0.3656
11	O7     2.7750     0.4771    -3.5984	O.3	1	noname	-0.3695
12	C4     3.6864     1.0901    -1.5556	C.3	1	noname	0.1116
13	C5     3.0517     2.3194    -2.2084	C.3	1	noname	0.1127
14	C6     3.2103     1.8559    -3.6526	C.3	1	noname	0.0764
15	O8     5.0373     0.9745    -1.9776	O.3	1	noname	-0.3874
16	H1     2.7059    -3.4156    -1.7641	H	1	noname	0.2408
17	H2     0.8015    -0.8043    -2.0678	H	1	noname	0.0706
18	H3     0.0980     1.4575    -2.5559	H	1	noname	0.0950
19	H4     3.2721    -0.9923    -2.2280	H	1	noname	0.0661
20	H5    -0.3855     0.6660    -0.2060	H	1	noname	0.2134
21	H6     3.7658     1.0700    -0.4687	H	1	noname	0.0657
22	H7     3.4406     3.3163    -2.0013	H	1	noname	0.0657
23	H8     4.2698     1.8529    -3.9087	H	1	noname	0.0594
24	H9     2.5001     2.3971    -4.2778	H	1	noname	0.0594
25	H10     5.6097     0.9255    -1.2085	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	13	9	1
13	11	14	1
14	12	15	1
15	12	13	1
16	13	14	1
17	5	16	1
18	6	17	1
19	7	18	1
20	8	19	1
21	10	20	1
22	12	21	1
23	13	22	1
24	14	23	1
25	14	24	1
26	15	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1