@<TRIPOS>MOLECULE
DB01422
20 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2603    -1.1830    -0.0000	O.2	1	noname	-0.1441
2	N1     2.0953    -1.1847    -0.0000	N.2	1	noname	-0.0144
3	O2     1.4644    -2.2811    -0.0000	O.3	1	noname	-0.1441
4	C1     1.4412    -0.0555    -0.0000	C.2	1	noname	0.0317
5	C2     0.0236    -0.0212     0.0000	C.2	1	noname	0.0649
6	C3     2.1197     1.1971     0.0000	C.2	1	noname	0.0267
7	C4    -0.7059     1.2268     0.0000	C.2	1	noname	0.0552
8	C5    -0.6916    -1.2403     0.0000	C.2	1	noname	-0.0107
9	C6     1.4011     2.4410     0.0000	C.2	1	noname	0.0021
10	N2    -2.0696     1.2074    -0.0000	N.2	1	noname	-0.2110
11	C7    -0.0246     2.4780     0.0000	C.2	1	noname	0.0586
12	C8    -2.1076    -1.2191    -0.0000	C.2	1	noname	-0.0028
13	C9    -2.7770     0.0352    -0.0000	C.2	1	noname	0.0022
14	O3    -0.6990     3.6474     0.0000	O.3	1	noname	-0.2733
15	H1     3.2097     1.2039     0.0000	H	1	noname	0.0648
16	H2    -0.1553    -2.1893     0.0000	H	1	noname	0.0631
17	H3     1.9521     3.3815    -0.0000	H	1	noname	0.0651
18	H4    -2.6722    -2.1515    -0.0000	H	1	noname	0.0639
19	H5    -3.8651     0.1000    -0.0000	H	1	noname	0.0839
20	H6    -0.8588     3.9246     0.9051	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	11	2
13	10	13	1
14	11	14	1
15	12	13	2
16	6	15	1
17	8	16	1
18	9	17	1
19	12	18	1
20	13	19	1
21	14	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1