@<TRIPOS>MOLECULE
76962927
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.2185     1.5930    -0.0900	S.3	1	noname	-0.1730
2	O1     0.3628    -0.6402    -1.4790	O.3	1	noname	-0.3742
3	C1     1.5312     1.1081    -0.4870	C.3	1	noname	0.0302
4	C2     1.2012     1.5369    -1.9115	C.3	1	noname	-0.0128
5	C3     1.4504    -0.4121    -0.5931	C.3	1	noname	0.0668
6	C4     0.6723     0.2484    -2.5480	C.3	1	noname	0.0563
7	C5     2.7392    -0.9488    -1.2190	C.3	1	noname	-0.0376
8	C6    -0.6000     0.5558    -3.3402	C.3	1	noname	-0.0386
9	H1     0.7517     1.4439     0.1970	H	1	noname	0.0441
10	H2     0.4081     2.2844    -1.8914	H	1	noname	0.0305
11	H3     2.0691     1.8866    -2.4705	H	1	noname	0.0305
12	H4     1.3217    -0.8998     0.3731	H	1	noname	0.0611
13	H5     1.4664    -0.1941    -3.1494	H	1	noname	0.0600
14	H6     3.5734    -0.7738    -0.5396	H	1	noname	0.0257
15	H7     2.6368    -2.0187    -1.4006	H	1	noname	0.0257
16	H8     2.9257    -0.4363    -2.1628	H	1	noname	0.0257
17	H9    -0.3631     1.2359    -4.1584	H	1	noname	0.0257
18	H10    -1.3342     1.0207    -2.6823	H	1	noname	0.0257
19	H11    -1.0090    -0.3702    -3.7444	H	1	noname	0.0257
20	H12     3.5130     1.2103     1.1814	H	1	noname	0.1025
@<TRIPOS>BOND
1	3	1	1
2	1	20	1
3	2	5	1
4	2	6	1
5	3	4	1
6	3	5	1
7	3	9	1
8	4	6	1
9	4	10	1
10	4	11	1
11	5	7	1
12	5	12	1
13	6	8	1
14	6	13	1
15	7	14	1
16	7	15	1
17	7	16	1
18	8	17	1
19	8	18	1
20	8	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1