@<TRIPOS>MOLECULE
76959685
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0130     1.8541    -0.2058	S.3	1	noname	-0.1730
2	O1     0.3948    -0.5057    -1.8333	O.3	1	noname	-0.3742
3	C1     1.4812     0.9202    -0.3526	C.3	1	noname	0.0302
4	C2     0.4493     1.7518    -1.1046	C.3	1	noname	-0.0128
5	C3     1.6901    -0.2529    -1.3060	C.3	1	noname	0.0668
6	C4    -0.0217     0.8029    -2.2105	C.3	1	noname	0.0563
7	C5     2.1663    -1.4736    -0.5160	C.3	1	noname	-0.0376
8	C6     0.6452     1.1891    -3.5322	C.3	1	noname	-0.0386
9	H1     1.1196     0.5193     0.5943	H	1	noname	0.0441
10	H2    -0.3855     1.9806    -0.4423	H	1	noname	0.0305
11	H3     0.8645     2.6537    -1.5545	H	1	noname	0.0305
12	H4     2.3567     0.0508    -2.1132	H	1	noname	0.0611
13	H5    -1.0981     0.8614    -2.3718	H	1	noname	0.0600
14	H6     3.1598    -1.2797    -0.1116	H	1	noname	0.0257
15	H7     1.4731    -1.6701     0.3019	H	1	noname	0.0257
16	H8     2.2053    -2.3406    -1.1755	H	1	noname	0.0257
17	H9     0.3265     2.1907    -3.8210	H	1	noname	0.0257
18	H10     0.3560     0.4785    -4.3064	H	1	noname	0.0257
19	H11     1.7284     1.1734    -3.4109	H	1	noname	0.0257
20	H12     3.9339     1.1119     0.4654	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