@<TRIPOS>MOLECULE
71587664
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.3488    -0.2901    -0.8034	S.3	1	noname	-0.0948
2	S2     2.4357    -2.0332    -0.5476	S.3	1	noname	-0.0874
3	C1    -0.2637     1.7618     2.1828	C.3	1	noname	-0.0282
4	C2     0.6692     2.6644     2.9928	C.3	1	noname	-0.0592
5	C3    -1.5686     2.5063     1.8930	C.3	1	noname	-0.0592
6	C4     0.3674     1.4083     0.9493	C.2	1	noname	-0.0523
7	C5     0.5985     0.1302     0.6630	C.2	1	noname	-0.0213
8	C6     3.6909    -1.7774     0.7169	C.3	1	noname	-0.0076
9	H1    -0.4798     0.8580     2.7525	H	1	noname	0.0340
10	H2    -2.2333     1.8633     1.3160	H	1	noname	0.0236
11	H3    -2.0497     2.7758     2.8332	H	1	noname	0.0236
12	H4    -1.3525     3.4100     1.3233	H	1	noname	0.0236
13	H5     1.5989     2.1340     3.1992	H	1	noname	0.0236
14	H6     0.1881     2.9339     3.9330	H	1	noname	0.0236
15	H7     0.8853     3.5682     2.4231	H	1	noname	0.0236
16	H8     0.6324     2.1149     0.3085	H	1	noname	0.0584
17	H9     0.3335    -0.5764     1.3038	H	1	noname	0.0702
18	H10     4.2632    -2.6953     0.8517	H	1	noname	0.0352
19	H11     3.2098    -1.5079     1.6572	H	1	noname	0.0352
20	H12     4.3598    -0.9742     0.4078	H	1	noname	0.0352
@<TRIPOS>BOND
1	1	2	1
2	1	7	1
3	2	8	1
4	3	4	1
5	3	5	1
6	3	6	1
7	3	9	1
8	4	13	1
9	4	14	1
10	4	15	1
11	5	10	1
12	5	11	1
13	5	12	1
14	6	7	2
15	6	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1