@<TRIPOS>MOLECULE
91663253
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.4474     2.1283    -2.3410	S	1	noname	0.0275
2	S2    -1.4533    -0.5184    -2.5420	S.3	1	noname	-0.1765
3	O1    -1.5008     2.0736     0.4931	O.3	1	noname	-0.3907
4	O2     1.3256     3.6993    -3.0174	O.3	1	noname	-0.1451
5	O3     3.0114     1.9320    -2.0639	O.2	1	noname	-0.1602
6	O4     0.9915     1.0631    -3.4507	O.2	1	noname	-0.1602
7	C1    -1.0196     1.7101    -0.7911	C.3	1	noname	0.0814
8	C2     0.5038     2.0029    -0.7551	C.3	1	noname	0.1089
9	C3    -1.3473     0.1980    -0.8908	C.3	1	noname	0.0177
10	H1    -1.5585     2.3163    -1.5317	H	1	noname	0.0622
11	H2     0.6889     2.8910    -0.1509	H	1	noname	0.0515
12	H3     0.9480     1.1908    -0.1795	H	1	noname	0.0515
13	H4    -2.2669    -0.0113    -0.3442	H	1	noname	0.0404
14	H5    -0.5635    -0.3254    -0.3432	H	1	noname	0.0404
15	H6    -1.3210     3.0236     0.6525	H	1	noname	0.2105
16	H7    -2.4312     0.1108    -3.2472	H	1	noname	0.1022
17	H8     0.3808     3.9367    -3.1241	H	1	noname	0.2384
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	8	1
5	2	9	1
6	2	16	1
7	3	7	1
8	3	15	1
9	4	17	1
10	7	8	1
11	7	9	1
12	7	10	1
13	8	11	1
14	8	12	1
15	9	13	1
16	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1