@<TRIPOS>MOLECULE
92135689
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4870    -0.7550    -0.6599	S	1	noname	-0.0375
2	O1     2.4444    -0.4386    -0.6582	O.3	1	noname	-0.2711
3	O2    -0.6418    -2.4361    -0.7358	O.3	1	noname	-0.1471
4	O3    -1.9254    -0.0971    -0.4979	O.2	1	noname	-0.1665
5	O4     0.1910    -0.2243    -1.9967	O.2	1	noname	-0.1665
6	C1     0.4988    -0.3272     0.6958	C.2	1	noname	0.0438
7	C2     2.6681     0.1293     1.6349	C.2	1	noname	-0.0061
8	C3     1.8760    -0.2144     0.5456	C.2	1	noname	0.0642
9	C4    -0.0864    -0.0964     1.9353	C.2	1	noname	0.0179
10	C5     2.0830     0.3601     2.8744	C.2	1	noname	-0.0229
11	C6     0.7057     0.2473     3.0246	C.2	1	noname	-0.0497
12	C7     4.1147     0.2478     1.4772	C.3	1	noname	0.0114
13	H1    -1.0970    -0.1792     2.0455	H	1	noname	0.0640
14	H2     2.6642     0.6123     3.6738	H	1	noname	0.0626
15	H3     0.2763     0.4167     3.9342	H	1	noname	0.0623
16	H4     4.6117    -0.4613     2.1392	H	1	noname	0.0280
17	H5     4.3864     0.0321     0.4439	H	1	noname	0.0280
18	H6     4.4260     1.2612     1.7307	H	1	noname	0.0280
19	H7     2.2491    -1.3547    -0.9461	H	1	noname	0.2182
20	H8    -1.0960    -2.6852    -1.5677	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	6	1
5	2	8	1
6	2	19	1
7	3	20	1
8	6	8	1
9	6	9	2
10	7	8	2
11	7	10	1
12	7	12	1
13	9	11	1
14	9	13	1
15	10	11	2
16	10	14	1
17	11	15	1
18	12	16	1
19	12	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1