@<TRIPOS>MOLECULE
DB04299
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8289     1.3463    -0.0000	O.2	1	noname	-0.2616
2	C1    -0.9646     0.4467     0.0000	C.2	1	noname	0.0975
3	O2    -1.4608    -0.7981    -0.0000	O.3	1	noname	-0.2207
4	C2     0.3700     0.7404     0.0000	C.2	1	noname	0.0943
5	C3     1.4615    -0.0276    -0.0000	C.2	1	noname	0.0943
6	C4     1.6357    -1.3830    -0.0000	C.2	1	noname	0.0975
7	O3     2.7743    -1.8928     0.0000	O.2	1	noname	-0.2616
8	O4     0.6316    -2.2704     0.0000	O.3	1	noname	-0.2207
9	H1    -1.5793    -1.0954     0.9051	H	1	noname	0.2216
10	H2     0.6134     1.8028     0.0000	H	1	noname	0.0688
11	H3     2.3794     0.5602    -0.0000	H	1	noname	0.0688
12	H4     0.3918    -2.4823     0.9051	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	5	6	1
6	6	7	2
7	6	8	1
8	3	9	1
9	4	10	1
10	5	11	1
11	8	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
