@<TRIPOS>MOLECULE
86608376
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4231    -1.0435    -0.1530	S	1	noname	-0.0460
2	O1    -1.4119     2.2850    -0.0809	O.3	1	noname	-0.2844
3	O2     2.0667    -2.1882    -1.3441	O.3	1	noname	-0.1484
4	O3     3.2743    -1.7282     1.0023	O.2	1	noname	-0.1684
5	O4     3.2606     0.1459    -0.7946	O.2	1	noname	-0.1684
6	C1     0.3523     0.6980    -0.0602	C.2	1	noname	0.0484
7	C2     0.9503    -0.4210     0.5076	C.2	1	noname	0.0224
8	C3    -0.8311     1.1982     0.4705	C.2	1	noname	0.0141
9	C4     0.3650    -1.0398     1.6060	C.2	1	noname	0.0072
10	C5     0.9670     1.3479    -1.2140	C.3	1	noname	0.0273
11	C6    -1.4164     0.5794     1.5690	C.2	1	noname	0.0016
12	C7    -0.8183    -0.5396     2.1367	C.2	1	noname	-0.0376
13	H1     0.8038    -1.8609     2.0226	H	1	noname	0.0639
14	H2     0.2729     1.3291    -2.0542	H	1	noname	0.0281
15	H3     1.2068     2.3814    -0.9638	H	1	noname	0.0281
16	H4     1.8804     0.8185    -1.4853	H	1	noname	0.0281
17	H5    -2.2847     0.9465     1.9584	H	1	noname	0.0650
18	H6    -1.2479    -0.9937     2.9428	H	1	noname	0.0624
19	H7    -2.2312     2.5024     0.4109	H	1	noname	0.2182
20	H8     2.9000    -2.5760    -1.6843	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	7	1
5	2	8	1
6	2	19	1
7	3	20	1
8	6	7	1
9	6	8	2
10	6	10	1
11	7	9	2
12	8	11	1
13	9	12	1
14	9	13	1
15	10	14	1
16	10	15	1
17	10	16	1
18	11	12	2
19	11	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1