@<TRIPOS>MOLECULE
DB06775
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3949    -3.3537     0.3305	O.2	1	noname	-0.2942
2	C1     1.7252    -2.4191    -0.1600	C.2	1	noname	-0.0412
3	N1     1.9248    -1.1613     0.2565	N.3	1	noname	-0.0653
4	N2     0.8077    -2.6752    -1.1024	N.3	1	noname	-0.0826
5	C2     1.1694    -0.1071    -0.2968	C.3	1	noname	0.1017
6	C3     2.0669     0.8544    -0.9304	C.2	1	noname	0.1440
7	C4     0.3767     0.5887     0.8115	C.3	1	noname	-0.0183
8	O2     1.9603     1.0981    -2.1518	O.2	1	noname	-0.2494
9	O3     3.0120     1.4803    -0.1972	O.3	1	noname	-0.2138
10	C5    -0.4430     1.7326     0.2110	C.3	1	noname	0.0355
11	C6    -1.1995     2.3966     1.2686	C.2	1	noname	0.1348
12	O4    -1.9401     3.3652     0.9935	O.2	1	noname	-0.2559
13	O5    -1.0990     1.9645     2.5436	O.3	1	noname	-0.2189
14	H1     2.6257    -1.0118     0.9683	H	1	noname	0.1332
15	H2     0.2268    -1.9292    -1.4576	H	1	noname	0.1285
16	H3     0.6970    -3.6142    -1.4576	H	1	noname	0.1285
17	H4     0.5315    -0.5544    -1.0591	H	1	noname	0.0578
18	H5    -0.3359    -0.1416     1.1947	H	1	noname	0.0293
19	H6     1.1059     1.0427     1.4825	H	1	noname	0.0293
20	H7     2.8262     1.3573     0.7366	H	1	noname	0.2213
21	H8     0.2579     2.4762    -0.1683	H	1	noname	0.0373
22	H9    -1.1839     1.2919    -0.4560	H	1	noname	0.0373
23	H10    -1.0979     1.0046     2.5571	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	10	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	4	16	1
16	5	17	1
17	7	18	1
18	7	19	1
19	9	20	1
20	10	21	1
21	10	22	1
22	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1