@<TRIPOS>MOLECULE
DB02245
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6104    -1.5809     0.5495	O.2	1	noname	-0.2864
2	C1     2.4296    -1.2915     0.8400	C.2	1	noname	0.0733
3	N1     1.7827    -1.9139     1.8842	N.3	1	noname	0.0433
4	C2     1.7211    -0.3204     0.1103	C.2	1	noname	0.1086
5	C3     0.4740    -1.6492     2.2429	C.2	1	noname	-0.0782
6	C4     0.4060    -0.0886     0.4907	C.2	1	noname	0.0825
7	C5     2.0884     0.5339    -1.0023	C.3	1	noname	0.0166
8	N2    -0.2257    -0.7300     1.5211	N.2	1	noname	-0.1968
9	N3    -0.0938    -2.2832     3.2779	N.3	1	noname	-0.1233
10	N4    -0.0562     0.8602    -0.2558	N.2	1	noname	-0.2096
11	C6     0.8243     1.2316    -1.1054	C.2	1	noname	0.0214
12	H1     2.2962    -2.6021     2.4161	H	1	noname	0.1400
13	H2     2.8619     1.2324    -0.6830	H	1	noname	0.0378
14	H3     2.2387    -0.0758    -1.8932	H	1	noname	0.0378
15	H4     0.4591    -2.5221     4.0887	H	1	noname	0.1268
16	H5    -1.0747    -2.5221     3.2473	H	1	noname	0.1268
17	H6     0.5422     2.0176    -1.8060	H	1	noname	0.0795
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	6	8	1
11	7	11	1
12	10	11	2
13	3	12	1
14	7	13	1
15	7	14	1
16	9	15	1
17	9	16	1
18	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1