@<TRIPOS>MOLECULE
71586844
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2871    -0.7135     0.7619	O.3	1	noname	-0.2192
2	O2    -1.4047    -1.5394    -1.3302	O.2	1	noname	-0.2599
3	C1     0.2844    -0.0605    -0.8920	C.2	1	noname	-0.0035
4	C2     1.2720     0.2464     0.0368	C.2	1	noname	-0.0065
5	C3     0.4097     0.3700    -2.2077	C.2	1	noname	-0.0065
6	C4     2.3849     0.9838    -0.3502	C.2	1	noname	-0.0430
7	C5     1.5227     1.1074    -2.5946	C.2	1	noname	-0.0430
8	C6     2.5102     1.4143    -1.6659	C.2	1	noname	-0.0360
9	C7    -0.8285    -0.7980    -0.5051	C.2	1	noname	0.0833
10	H1     1.1800    -0.0696     1.0022	H	1	noname	0.0631
11	H2    -0.3150     0.1448    -2.8892	H	1	noname	0.0631
12	H3     3.1096     1.2090     0.3314	H	1	noname	0.0622
13	H4     1.6146     1.4233    -3.5601	H	1	noname	0.0622
14	H5     3.3269     1.9554    -1.9498	H	1	noname	0.0622
15	H6    -1.7364    -1.4814     1.1726	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	9	1
2	1	15	1
3	2	9	2
4	3	4	2
5	3	5	1
6	3	9	1
7	4	6	1
8	4	10	1
9	5	7	2
10	5	11	1
11	6	8	2
12	6	12	1
13	7	8	1
14	7	13	1
15	8	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1