@<TRIPOS>MOLECULE
86278318
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5133     2.7813     0.0000	O.3	1	noname	-0.3962
2	O2     4.0433    -2.7813     0.0000	O.3	1	noname	-0.3962
3	C1     1.5300     0.0000     0.0000	C.3	1	noname	-0.0510
4	C2     0.0000     0.0000     0.0000	C.3	1	noname	-0.0510
5	C3     2.0400    -1.4425     0.0000	C.3	1	noname	-0.0299
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	-0.0299
7	C5     3.5700    -1.4425     0.0000	C.3	1	noname	0.0432
8	C6    -2.0400     1.4425     0.0000	C.3	1	noname	0.0432
9	H1     1.8933     0.5138     0.8900	H	1	noname	0.0267
10	H2     1.8933     0.5138    -0.8900	H	1	noname	0.0267
11	H3    -0.3633    -0.5138    -0.8900	H	1	noname	0.0267
12	H4    -0.3633    -0.5138     0.8900	H	1	noname	0.0267
13	H5     1.6767    -1.9563    -0.8900	H	1	noname	0.0290
14	H6     1.6767    -1.9563     0.8900	H	1	noname	0.0290
15	H7    -0.1467     1.9563    -0.8900	H	1	noname	0.0290
16	H8    -0.1467     1.9563     0.8900	H	1	noname	0.0290
17	H9     3.9333    -0.9287    -0.8900	H	1	noname	0.0563
18	H10     3.9333    -0.9287     0.8900	H	1	noname	0.0563
19	H11    -2.4033     0.9287    -0.8900	H	1	noname	0.0563
20	H12    -2.4033     0.9287     0.8900	H	1	noname	0.0563
21	H13     5.0233    -2.7813     0.0000	H	1	noname	0.2100
22	H14    -3.4933     2.7813     0.0000	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	8	1
2	1	22	1
3	2	7	1
4	2	21	1
5	3	4	1
6	3	5	1
7	3	9	1
8	3	10	1
9	4	6	1
10	4	11	1
11	4	12	1
12	5	7	1
13	5	13	1
14	5	14	1
15	6	8	1
16	6	15	1
17	6	16	1
18	7	17	1
19	7	18	1
20	8	19	1
21	8	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1