@<TRIPOS>MOLECULE
71587575
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2302     0.9616    -0.2897	O.3	1	noname	-0.3909
2	O2     2.5743    -1.6108    -1.3809	O.3	1	noname	-0.3936
3	C1     1.3336    -0.0946     0.0219	C.3	1	noname	0.0744
4	C2     1.2784    -1.0786    -1.1484	C.3	1	noname	0.0689
5	C3    -0.0626     0.4788     0.2724	C.3	1	noname	-0.0367
6	H1     1.6794    -0.6128     0.9163	H	1	noname	0.0621
7	H2     0.5902    -1.8894    -0.9093	H	1	noname	0.0590
8	H3     0.9326    -0.5604    -2.0428	H	1	noname	0.0590
9	H4    -0.7508    -0.3320     0.5115	H	1	noname	0.0257
10	H5    -0.4084     0.9970    -0.6221	H	1	noname	0.0257
11	H6    -0.0233     1.1798     1.1061	H	1	noname	0.0257
12	H7     2.2655     1.5919     0.4599	H	1	noname	0.2105
13	H8     2.5389    -2.2411    -2.1305	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	3	1
2	1	12	1
3	2	4	1
4	2	13	1
5	3	4	1
6	3	5	1
7	3	6	1
8	4	7	1
9	4	8	1
10	5	9	1
11	5	10	1
12	5	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1