@<TRIPOS>MOLECULE
DB04398
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1811    -0.8601     0.3901	O.2	1	noname	-0.2453
2	C1     1.4547    -0.1602    -0.3482	C.2	1	noname	0.1497
3	O2     2.0000     0.5343    -1.3693	O.3	1	noname	-0.2107
4	C2     0.0164    -0.0939    -0.1061	C.3	1	noname	0.1366
5	O3    -0.3581     1.2507     0.1549	O.3	1	noname	-0.3828
6	C3    -0.7324    -0.6016    -1.3399	C.3	1	noname	-0.0292
7	H1     2.3486    -0.0772    -2.0221	H	1	noname	0.2214
8	H2    -0.2166    -0.6642     0.7931	H	1	noname	0.0707
9	H3    -0.3979     1.3935     1.1034	H	1	noname	0.2111
10	H4    -0.7333    -1.6916    -1.3414	H	1	noname	0.0262
11	H5    -1.7595    -0.2374    -1.3169	H	1	noname	0.0262
12	H6    -0.2379    -0.2374    -2.2404	H	1	noname	0.0262
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	6	10	1
10	6	11	1
11	6	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1