@<TRIPOS>MOLECULE
119057412
14 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6535    -0.2260    -0.3827	O.3	1	noname	-0.3604
2	O2    -1.9319     0.8010     0.1991	O.3	1	noname	-0.2278
3	C1     1.0023     0.1721     0.8498	C.3	1	noname	0.1087
4	C2     1.1549     1.1297    -0.2983	C.3	1	noname	0.1087
5	C3     0.0074     1.4927    -1.1022	C.2	1	noname	-0.0120
6	C4    -0.1786    -0.6059     1.1426	C.2	1	noname	-0.0120
7	C5    -1.2995     1.3269    -0.8589	C.2	1	noname	-0.0229
8	C6    -1.4386    -0.2829     0.8322	C.2	1	noname	-0.0229
9	H1     1.6940     0.3743     1.6580	H	1	noname	0.0680
10	H2     1.9136     1.8980    -0.1046	H	1	noname	0.0680
11	H3     0.2211     1.9308    -1.9640	H	1	noname	0.0625
12	H4    -0.0419    -1.4624     1.6200	H	1	noname	0.0625
13	H5    -1.8975     1.6458    -1.5805	H	1	noname	0.0898
14	H6    -2.1185    -0.9459     1.1121	H	1	noname	0.0898
@<TRIPOS>BOND
1	3	1	1
2	4	1	1
3	2	7	1
4	2	8	1
5	3	4	1
6	3	6	1
7	3	9	1
8	4	5	1
9	4	10	1
10	5	7	2
11	5	11	1
12	6	8	2
13	6	12	1
14	7	13	1
15	8	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1