@<TRIPOS>MOLECULE
76970780
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.3971     1.9784    -0.1831	S.3	1	noname	-0.1730
2	O1     0.4820     0.6704     0.8855	O.3	1	noname	-0.3742
3	C1     2.0626     0.9459    -0.8580	C.3	1	noname	0.0302
4	C2     0.8131     1.7645    -1.2304	C.3	1	noname	-0.0128
5	C3     1.4981    -0.0645     0.1752	C.3	1	noname	0.0668
6	C4    -0.2198     1.4610    -0.0942	C.3	1	noname	0.0563
7	C5     0.9083    -1.3604    -0.4710	C.3	1	noname	-0.0376
8	C6    -1.5847     0.7986    -0.4814	C.3	1	noname	-0.0386
9	H1     2.4755     0.4225    -1.7198	H	1	noname	0.0441
10	H2     0.4181     1.4461    -2.1938	H	1	noname	0.0305
11	H3     1.0294     2.8328    -1.2681	H	1	noname	0.0305
12	H4     2.2652    -0.3739     0.9011	H	1	noname	0.0611
13	H5    -0.4821     2.4140     0.3864	H	1	noname	0.0600
14	H6     1.6913    -2.0903    -0.6373	H	1	noname	0.0257
15	H7     0.4812    -1.1517    -1.4523	H	1	noname	0.0257
16	H8     0.1640    -1.7936     0.2070	H	1	noname	0.0257
17	H9    -2.1450     1.4440    -1.1606	H	1	noname	0.0257
18	H10    -2.1984     0.7033     0.4219	H	1	noname	0.0257
19	H11    -1.5019    -0.1928    -0.9258	H	1	noname	0.0257
20	H12     4.2624     0.9445     0.0205	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