@<TRIPOS>MOLECULE
DB02591
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3542    -0.0128    -0.0102	N.2	1	noname	-0.2424
2	C1     0.0068    -0.0124     0.0061	C.2	1	noname	-0.0017
3	C2     1.7464     1.2794    -0.0130	C.2	1	noname	-0.0481
4	C3    -0.4173     1.3305     0.0613	C.2	1	noname	-0.0668
5	C4    -0.9129    -1.1042     0.0182	C.2	1	noname	-0.0160
6	N2     0.6790     2.1083     0.0055	N.3	1	noname	-0.0464
7	C5    -1.7971     1.6858     0.1920	C.2	1	noname	-0.0391
8	C6    -2.2943    -0.7634     0.1079	C.2	1	noname	-0.0444
9	C7    -2.7262     0.6046     0.2133	C.2	1	noname	-0.0473
10	C8    -3.2937    -1.8276     0.0925	C.3	1	noname	0.0001
11	C9    -4.1513     0.8931     0.3452	C.3	1	noname	0.0000
12	H1     2.7852     1.6092    -0.0282	H	1	noname	0.1013
13	H2    -0.5792    -2.1404    -0.0380	H	1	noname	0.0648
14	H3     0.6972     3.1178    -0.0179	H	1	noname	0.1537
15	H4    -2.1226     2.7231     0.2710	H	1	noname	0.0646
16	H5    -3.5499    -2.1003     1.1162	H	1	noname	0.0280
17	H6    -4.1875    -1.4791    -0.4252	H	1	noname	0.0280
18	H7    -2.8900    -2.6977    -0.4252	H	1	noname	0.0280
19	H8    -4.4149     0.9464     1.4015	H	1	noname	0.0280
20	H9    -4.3749     1.8464    -0.1336	H	1	noname	0.0280
21	H10    -4.7280     0.1018    -0.1336	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	4	6	1
8	5	8	2
9	7	9	2
10	8	10	1
11	8	9	1
12	9	11	1
13	3	12	1
14	5	13	1
15	6	14	1
16	7	15	1
17	10	16	1
18	10	17	1
19	10	18	1
20	11	19	1
21	11	20	1
22	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1