@<TRIPOS>MOLECULE
119026183
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5589     3.3791    -0.3700	S	1	noname	-0.0483
2	O1     1.8364     4.6952    -1.1458	O.3	1	noname	-0.1487
3	O2     3.4602     3.9014     0.8312	O.2	1	noname	-0.1689
4	O3     3.4659     2.5852    -1.4070	O.2	1	noname	-0.1689
5	C1    -0.6423     0.6371     1.2342	C.2	1	noname	-0.0192
6	C2    -1.6786    -0.2506     1.7536	C.3	1	noname	0.0092
7	C3     1.3309     2.3273     0.2453	C.2	1	noname	0.0158
8	C4    -0.1463     0.4494    -0.0506	C.2	1	noname	-0.0376
9	C5    -0.1516     1.6698     2.0247	C.2	1	noname	-0.0376
10	C6     0.8403     1.2945    -0.5451	C.2	1	noname	0.0206
11	C7     0.8350     2.5149     1.5302	C.2	1	noname	0.0206
12	C8    -3.0567     0.3208     1.4141	C.3	1	noname	-0.0613
13	H1    -1.5726    -1.2366     1.3012	H	1	noname	0.0313
14	H2    -1.5765    -0.3344     2.8356	H	1	noname	0.0313
15	H3    -0.5064    -0.3084    -0.6307	H	1	noname	0.0626
16	H4    -0.5155     1.8075     2.9675	H	1	noname	0.0626
17	H5     1.2042     1.1568    -1.4880	H	1	noname	0.0639
18	H6     1.1951     3.2727     2.1103	H	1	noname	0.0639
19	H7    -3.8304    -0.3419     1.8018	H	1	noname	0.0234
20	H8    -3.1588     0.4046     0.3321	H	1	noname	0.0234
21	H9    -3.1627     1.3068     1.8665	H	1	noname	0.0234
22	H10     2.5319     5.2961    -1.4859	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	7	1
5	2	22	1
6	5	6	1
7	5	8	2
8	5	9	1
9	6	12	1
10	6	13	1
11	6	14	1
12	7	10	2
13	7	11	1
14	8	10	1
15	8	15	1
16	9	11	2
17	9	16	1
18	10	17	1
19	11	18	1
20	12	19	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1