@<TRIPOS>MOLECULE
101301353
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5071    -0.7323    -0.6737	S	1	noname	-0.0375
2	O1     2.4174    -0.3740    -0.7842	O.3	1	noname	-0.2711
3	O2    -0.6426    -2.4131    -0.7856	O.3	1	noname	-0.1471
4	O3    -1.9462    -0.0992    -0.4362	O.2	1	noname	-0.1665
5	O4     0.1079    -0.1591    -2.0233	O.2	1	noname	-0.1665
6	C1     0.5281    -0.3240     0.6509	C.2	1	noname	0.0438
7	C2     2.7282     0.1402     1.5115	C.2	1	noname	-0.0061
8	C3     1.8964    -0.1878     0.4472	C.2	1	noname	0.0642
9	C4    -0.0083    -0.1323     1.9188	C.2	1	noname	0.0179
10	C5     2.1917     0.3320     2.7794	C.2	1	noname	-0.0229
11	C6     0.8235     0.1958     2.9830	C.2	1	noname	-0.0497
12	C7     4.1653     0.2833     1.2976	C.3	1	noname	0.0114
13	H1    -1.0123    -0.2322     2.0682	H	1	noname	0.0640
14	H2     2.8021     0.5727     3.5603	H	1	noname	0.0626
15	H3     0.4299     0.3365     3.9134	H	1	noname	0.0623
16	H4     4.6986    -0.4347     1.9205	H	1	noname	0.0280
17	H5     4.3969     0.0971     0.2488	H	1	noname	0.0280
18	H6     4.4733     1.2945     1.5636	H	1	noname	0.0280
19	H7    -1.2837    -2.6430    -1.4902	H	1	noname	0.2388
20	H8     2.2225    -1.2855    -1.0869	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	6	1
5	2	8	1
6	2	20	1
7	3	19	1
8	6	8	1
9	6	9	2
10	7	8	2
11	7	10	1
12	7	12	1
13	9	11	1
14	9	13	1
15	10	11	2
16	10	14	1
17	11	15	1
18	12	16	1
19	12	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1