@<TRIPOS>MOLECULE
DB00951
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6363    -1.5781     0.1897	O.2	1	noname	-0.2897
2	C1    -0.5251    -1.0611    -0.0566	C.2	1	noname	0.0266
3	N1     0.5345    -1.8405    -0.3121	N.3	1	noname	-0.0725
4	C2    -0.3887     0.3221    -0.0653	C.2	1	noname	0.0097
5	N2     0.6214    -3.0586     0.2444	N.3	1	noname	-0.2206
6	C3     0.8961     0.8947    -0.3505	C.2	1	noname	0.0176
7	C4    -1.5366     1.1382     0.2110	C.2	1	noname	0.0176
8	C5     1.0111     2.3234    -0.3536	C.2	1	noname	0.0126
9	C6    -1.3703     2.5617     0.1961	C.2	1	noname	0.0126
10	N3    -0.1162     3.0856    -0.0828	N.2	1	noname	-0.2370
11	H1     1.2672    -1.5101    -0.9238	H	1	noname	0.1505
12	H2    -0.2184    -3.5792     0.4538	H	1	noname	0.1378
13	H3     1.5265    -3.4548     0.4538	H	1	noname	0.1378
14	H4     1.7595     0.2629    -0.5587	H	1	noname	0.0646
15	H5    -2.5065     0.6898     0.4261	H	1	noname	0.0646
16	H6     1.9540     2.8291    -0.5615	H	1	noname	0.0839
17	H7    -2.1960     3.2445     0.3965	H	1	noname	0.0839
@<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	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	3	11	1
12	5	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
17	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1