@<TRIPOS>MOLECULE
91617763
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.1783    -1.5721    -0.3954	S	1	noname	-0.0466
2	O1    -1.4625    -1.8098    -1.4679	O.3	1	noname	-0.1486
3	O2    -0.3322    -2.5580     0.8425	O.2	1	noname	-0.1687
4	O3     1.1954    -1.8666    -1.1399	O.2	1	noname	-0.1687
5	C1    -0.1909     0.0643     0.1656	C.2	1	noname	0.0215
6	C2    -0.9143     1.7161     1.7608	C.2	1	noname	-0.0331
7	C3     0.5022     2.3571    -0.0774	C.2	1	noname	-0.0331
8	C4     0.5123     1.0423    -0.5281	C.2	1	noname	0.0066
9	C5    -0.9042     0.4012     1.3101	C.2	1	noname	0.0066
10	C6    -0.2111     2.6940     1.0671	C.2	1	noname	-0.0343
11	C7    -1.6635     2.0699     2.9630	C.3	1	noname	0.0004
12	C8     1.2408     3.3844    -0.8060	C.3	1	noname	0.0004
13	H1     1.0357     0.7951    -1.3679	H	1	noname	0.0642
14	H2    -1.4202    -0.3164     1.8191	H	1	noname	0.0642
15	H3    -0.2185     3.6589     1.3979	H	1	noname	0.0628
16	H4    -2.4216     2.8122     2.7132	H	1	noname	0.0279
17	H5    -2.1458     1.1793     3.3658	H	1	noname	0.0279
18	H6    -0.9824     2.4824     3.7073	H	1	noname	0.0279
19	H7     0.5505     4.1574    -1.1439	H	1	noname	0.0279
20	H8     1.7333     2.9350    -1.6683	H	1	noname	0.0279
21	H9     1.9898     3.8277    -0.1498	H	1	noname	0.0279
22	H10    -2.3113    -1.7112    -0.9882	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	5	1
5	2	22	1
6	5	8	2
7	5	9	1
8	6	9	2
9	6	10	1
10	6	11	1
11	7	8	1
12	7	10	2
13	7	12	1
14	8	13	1
15	9	14	1
16	10	15	1
17	11	16	1
18	11	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1