@<TRIPOS>MOLECULE
73425402
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8915    -1.2197     0.9888	S	1	noname	0.0326
2	O1    -1.3118    -0.4194    -0.4392	O.3	1	noname	-0.0746
3	O2    -1.6979    -0.5074     2.2920	O.3	1	noname	-0.1147
4	O3     2.3830    -0.9621    -1.9238	O.3	1	noname	-0.2170
5	O4    -1.3077    -2.7505     0.8806	O.2	1	noname	-0.1258
6	O5     0.6787    -1.1120     1.2143	O.2	1	noname	-0.1258
7	O6     0.2090    -1.4915    -2.1806	O.2	1	noname	-0.2566
8	C1    -0.5246     0.6662    -0.5950	C.2	1	noname	0.0628
9	C2     0.6784     0.5594    -1.2831	C.2	1	noname	0.0482
10	C3    -0.9171     1.8908    -0.0673	C.2	1	noname	0.0112
11	C4     1.4889     1.6772    -1.4436	C.2	1	noname	0.0067
12	C5    -0.1066     3.0086    -0.2278	C.2	1	noname	-0.0229
13	C6     1.0964     2.9018    -0.9159	C.2	1	noname	-0.0376
14	C7     1.0709    -0.6652    -1.8108	C.2	1	noname	0.0983
15	H1    -1.7999     1.9692     0.4376	H	1	noname	0.0651
16	H2     2.3717     1.5988    -1.9485	H	1	noname	0.0632
17	H3    -0.3946     3.9072     0.1594	H	1	noname	0.0623
18	H4     1.6912     3.7220    -1.0336	H	1	noname	0.0622
19	H5     2.6817    -1.8935    -1.8624	H	1	noname	0.2216
20	H6    -2.6630    -0.6474     2.1950	H	1	noname	0.2408
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	5	2
4	1	6	2
5	2	8	1
6	3	20	1
7	4	14	1
8	4	19	1
9	7	14	2
10	8	9	1
11	8	10	2
12	9	11	2
13	9	14	1
14	10	12	1
15	10	15	1
16	11	13	1
17	11	16	1
18	12	13	2
19	12	17	1
20	13	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1