@<TRIPOS>MOLECULE
57355721
16 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4600    -1.4425     0.0000	O.3	1	noname	-0.3962
2	O2    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3962
3	C1     1.5300     0.0000     0.0000	C.3	1	noname	-0.0277
4	C2     0.0000     0.0000     0.0000	C.3	1	noname	-0.0277
5	C3     2.0400    -1.4425     0.0000	C.3	1	noname	0.0433
6	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0433
7	H1     1.8933     0.5138     0.8900	H	1	noname	0.0291
8	H2     1.8933     0.5138    -0.8900	H	1	noname	0.0291
9	H3    -0.3633    -0.5138    -0.8900	H	1	noname	0.0291
10	H4    -0.3633    -0.5138     0.8900	H	1	noname	0.0291
11	H5     1.6767    -1.9563    -0.8900	H	1	noname	0.0563
12	H6     1.6767    -1.9563     0.8900	H	1	noname	0.0563
13	H7    -0.1467     1.9563    -0.8900	H	1	noname	0.0563
14	H8    -0.1467     1.9563     0.8900	H	1	noname	0.0563
15	H9    -2.2567     2.3665     0.0000	H	1	noname	0.2100
16	H10     3.7867    -2.3665     0.0000	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	5	1
2	1	16	1
3	2	6	1
4	2	15	1
5	3	4	1
6	3	5	1
7	3	7	1
8	3	8	1
9	4	6	1
10	4	9	1
11	4	10	1
12	5	11	1
13	5	12	1
14	6	13	1
15	6	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1