@<TRIPOS>MOLECULE
DB04377
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5950     2.5250    -0.0000	O.2	1	noname	-0.2550
2	C1    -1.9700     1.4425     0.0000	C.2	1	noname	0.1362
3	O2    -2.6450     0.2734    -0.0000	O.3	1	noname	-0.2182
4	C2    -0.5100     1.4425     0.0000	C.3	1	noname	0.0626
5	C3    -0.0000     0.0000     0.0000	C.3	1	noname	0.0806
6	O3    -0.4733    -0.6694    -1.1594	O.3	1	noname	-0.3889
7	C4     1.5300     0.0000     0.0000	C.3	1	noname	0.0626
8	C5    -0.5100    -0.7212     1.2492	C.3	1	noname	-0.0350
9	C6     2.0167    -1.3765     0.0000	C.2	1	noname	0.1362
10	O4     3.2456    -1.6049    -0.0000	O.2	1	noname	-0.2550
11	O5     1.1394    -2.4026     0.0000	O.3	1	noname	-0.2182
12	H1    -2.8050    -0.0038     0.9051	H	1	noname	0.2213
13	H2    -0.2102     1.8977    -0.9440	H	1	noname	0.0402
14	H3    -0.2102     1.8977     0.9440	H	1	noname	0.0402
15	H4    -0.4187    -1.6185    -1.0257	H	1	noname	0.2108
16	H5     1.8592     0.4343    -0.9440	H	1	noname	0.0402
17	H6     1.8592     0.4343     0.9440	H	1	noname	0.0402
18	H7    -0.4480    -1.7988     1.0974	H	1	noname	0.0260
19	H8     0.1013    -0.4394     2.1065	H	1	noname	0.0260
20	H9    -1.5466    -0.4394     1.4338	H	1	noname	0.0260
21	H10     0.9315    -2.6458     0.9051	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	7	9	1
9	9	10	2
10	9	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
20	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1