@<TRIPOS>MOLECULE
91617629
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.3607     0.2385     0.4317	S	1	noname	0.0348
2	S2    -0.0845     0.5014    -2.1144	S	1	noname	0.0348
3	O1     0.4420    -0.7839    -3.0770	O.3	1	noname	-0.1413
4	O2     1.2437    -0.2722     2.0384	O.3	1	noname	-0.1413
5	O3     2.5063    -0.5832    -0.3035	O.2	1	noname	-0.1555
6	O4     1.7118     1.7887     0.3925	O.2	1	noname	-0.1555
7	O5    -1.5099     0.9927    -2.6195	O.2	1	noname	-0.1555
8	O6     0.9555     1.6999    -2.2152	O.2	1	noname	-0.1555
9	C1    -0.2091    -0.0425    -0.4030	C.3	1	noname	0.2149
10	H1    -0.4498    -1.1052    -0.3762	H	1	noname	0.0716
11	H2    -0.9945     0.5208     0.1010	H	1	noname	0.0716
12	H3    -0.2513    -1.4759    -3.1058	H	1	noname	0.2384
13	H4     2.0191     0.0530     2.5418	H	1	noname	0.2384
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	9	1
5	2	3	1
6	2	7	2
7	2	8	2
8	2	9	1
9	3	12	1
10	4	13	1
11	9	10	1
12	9	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1