@<TRIPOS>MOLECULE
71587703
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.4209     2.3873    -0.8589	S.3	1	noname	-0.0672
2	S2     3.2482     4.4500    -0.8425	S.3	1	noname	-0.0703
3	S3     4.2543     4.5122     1.9187	S.3	1	noname	-0.1535
4	O1     0.5024     0.2692     0.6282	O.3	1	noname	-0.3765
5	C1     1.8099     0.4748     0.3654	C.2	1	noname	0.0629
6	C2     1.9425     1.6804    -0.3043	C.2	1	noname	0.0241
7	C3     0.6704     2.2163    -0.4480	C.2	1	noname	0.0193
8	C4     2.9027    -0.4235     0.7265	C.3	1	noname	0.0510
9	C5    -0.1999     1.3129     0.1429	C.2	1	noname	0.0282
10	C6     2.9071     5.0102     0.8338	C.3	1	noname	0.0497
11	C7     3.9132     5.0724     3.5949	C.3	1	noname	-0.0175
12	H1     0.4249     3.0980    -0.8982	H	1	noname	0.0656
13	H2     2.7479    -1.3928     0.2527	H	1	noname	0.0301
14	H3     2.9279    -0.5481     1.8091	H	1	noname	0.0301
15	H4     3.8482    -0.0002     0.3874	H	1	noname	0.0301
16	H5    -1.2125     1.4210     0.2014	H	1	noname	0.0901
17	H6     1.9756     4.5648     1.1832	H	1	noname	0.0504
18	H7     2.8162     6.0963     0.8424	H	1	noname	0.0504
19	H8     4.7290     4.7709     4.2519	H	1	noname	0.0344
20	H9     2.9817     4.6270     3.9444	H	1	noname	0.0344
21	H10     3.8223     6.1586     3.6036	H	1	noname	0.0344
@<TRIPOS>BOND
1	1	2	1
2	1	6	1
3	2	10	1
4	3	10	1
5	3	11	1
6	4	5	1
7	4	9	1
8	5	6	2
9	5	8	1
10	6	7	1
11	7	9	2
12	7	12	1
13	8	13	1
14	8	14	1
15	8	15	1
16	9	16	1
17	10	17	1
18	10	18	1
19	11	19	1
20	11	20	1
21	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1