@<TRIPOS>MOLECULE
92135712
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4419    -1.0199    -0.1860	S	1	noname	-0.0508
2	O1    -2.5262     0.8472     2.2985	O.3	1	noname	-0.2818
3	O2     2.0790    -2.1386    -1.3996	O.3	1	noname	-0.1487
4	O3     3.3579    -1.7107     0.9149	O.2	1	noname	-0.1690
5	O4     3.2152     0.2167    -0.8190	O.2	1	noname	-0.1690
6	C1     0.3198     0.6463     0.0383	C.2	1	noname	0.0339
7	C2     0.9752    -0.4687     0.5475	C.2	1	noname	0.0012
8	C3    -0.8586     1.0892     0.6276	C.2	1	noname	-0.0139
9	C4     0.4522    -1.1409     1.6460	C.2	1	noname	0.0301
10	C5     0.8692     1.3523    -1.1156	C.3	1	noname	0.0185
11	C6    -1.3816     0.4170     1.7261	C.2	1	noname	0.0315
12	C7    -0.7263    -0.6980     2.2353	C.2	1	noname	-0.0172
13	H1    -1.3395     1.9074     0.2539	H	1	noname	0.0653
14	H2     0.9331    -1.9591     2.0197	H	1	noname	0.0640
15	H3     0.1451     1.3358    -1.9301	H	1	noname	0.0280
16	H4     1.0840     2.3851    -0.8411	H	1	noname	0.0280
17	H5     1.7887     0.8630    -1.4369	H	1	noname	0.0280
18	H6    -1.1101    -1.1912     3.0415	H	1	noname	0.0650
19	H7    -2.8539     1.6371     1.8199	H	1	noname	0.2181
20	H8     2.9102    -2.5212    -1.7504	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	11	1
6	2	19	1
7	3	20	1
8	6	7	2
9	6	8	1
10	6	10	1
11	7	9	1
12	8	11	2
13	8	13	1
14	9	12	2
15	9	14	1
16	10	15	1
17	10	16	1
18	10	17	1
19	11	12	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1