@<TRIPOS>MOLECULE
76967502
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4899    -0.9461     1.2644	S.3	1	noname	-0.0822
2	S2     1.4854    -1.4376     0.6578	S.3	1	noname	-0.0822
3	O1     0.8915     2.1643    -0.3451	O.2	1	noname	-0.2896
4	C1    -0.7839     0.3911     0.0481	C.3	1	noname	0.0721
5	C2     1.6263    -0.1643    -0.6590	C.3	1	noname	0.0721
6	C3     0.6145     0.9455    -0.3222	C.2	1	noname	0.1521
7	C4    -1.6156     1.4984     0.6986	C.3	1	noname	-0.0454
8	C5     3.0413     0.4177    -0.6564	C.3	1	noname	-0.0454
9	H1    -1.2401    -0.0382    -0.8439	H	1	noname	0.0504
10	H2     1.3419    -0.6158    -1.6095	H	1	noname	0.0504
11	H3    -1.7906     2.2943    -0.0253	H	1	noname	0.0246
12	H4    -2.5711     1.0896     1.0272	H	1	noname	0.0246
13	H5    -1.0777     1.9001     1.5573	H	1	noname	0.0246
14	H6     3.1249     1.1732    -1.4377	H	1	noname	0.0246
15	H7     3.2451     0.8731     0.3127	H	1	noname	0.0246
16	H8     3.7620    -0.3786    -0.8424	H	1	noname	0.0246
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	2	5	1
4	3	6	2
5	4	6	1
6	4	7	1
7	4	9	1
8	5	6	1
9	5	8	1
10	5	10	1
11	7	11	1
12	7	12	1
13	7	13	1
14	8	14	1
15	8	15	1
16	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1