@<TRIPOS>MOLECULE
76957599
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.0895     1.9560    -0.0167	S.3	1	noname	-0.1730
2	O1     0.3424    -0.6079    -1.4131	O.3	1	noname	-0.3742
3	C1     1.4980     1.1504    -0.3541	C.3	1	noname	0.0302
4	C2     0.7894     1.7092    -1.6073	C.3	1	noname	-0.0128
5	C3     1.5096    -0.3655    -0.6185	C.3	1	noname	0.0668
6	C4     0.1653     0.4809    -2.3164	C.3	1	noname	0.0563
7	C5     2.7755    -0.9437    -1.3107	C.3	1	noname	-0.0376
8	C6     0.6588     0.1146    -3.7461	C.3	1	noname	-0.0386
9	H1     0.8897     1.3414     0.5393	H	1	noname	0.0441
10	H2     0.0082     2.4070    -1.2884	H	1	noname	0.0305
11	H3     1.4751     2.2431    -2.2641	H	1	noname	0.0305
12	H4     1.3697    -0.9110     0.3191	H	1	noname	0.0611
13	H5    -0.9043     0.6516    -2.4287	H	1	noname	0.0600
14	H6     3.5122    -1.2157    -0.5490	H	1	noname	0.0257
15	H7     2.5069    -1.8357    -1.8657	H	1	noname	0.0257
16	H8     3.2262    -0.2314    -2.0007	H	1	noname	0.0257
17	H9     0.4925     0.9386    -4.4441	H	1	noname	0.0257
18	H10     0.0838    -0.7206    -4.1332	H	1	noname	0.0257
19	H11     1.7146    -0.1506    -3.7833	H	1	noname	0.0257
20	H12     3.4925     0.9829     0.8445	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