@<TRIPOS>MOLECULE
71587204
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.9833    -1.5933     0.0000	S	1	noname	0.0197
2	O1     1.4200     0.0000     0.0000	O.3	1	noname	-0.1056
3	O2    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3938
4	O3     2.1711    -2.1245    -1.5933	O.3	1	noname	-0.1169
5	O4     3.3840    -1.6603     0.7495	O.2	1	noname	-0.1290
6	O5     0.9360    -2.5258     0.7495	O.2	1	noname	-0.1290
7	C1     0.0000     0.0000     0.0000	C.3	1	noname	0.0955
8	C2    -0.5100     1.4425     0.0000	C.3	1	noname	0.0685
9	H1    -0.3633    -0.5138    -0.8900	H	1	noname	0.0610
10	H2    -0.3633    -0.5138     0.8900	H	1	noname	0.0610
11	H3    -0.1467     1.9563    -0.8900	H	1	noname	0.0588
12	H4    -0.1467     1.9563     0.8900	H	1	noname	0.0588
13	H5    -2.2567     2.3665     0.0000	H	1	noname	0.2101
14	H6     2.4978    -3.0484    -1.5933	H	1	noname	0.2408
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	5	2
4	1	6	2
5	2	7	1
6	3	8	1
7	3	13	1
8	4	14	1
9	7	8	1
10	7	9	1
11	7	10	1
12	8	11	1
13	8	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
