@<TRIPOS>MOLECULE
DB01939
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3542    -0.0128    -0.0102	N.2	1	noname	-0.2323
2	C1     0.0068    -0.0124     0.0061	C.2	1	noname	0.0123
3	C2     1.7464     1.2794    -0.0130	C.2	1	noname	-0.0439
4	C3    -0.4173     1.3305     0.0613	C.2	1	noname	-0.0466
5	C4    -0.9129    -1.1042     0.0182	C.2	1	noname	-0.0002
6	N2     0.6790     2.1083     0.0055	N.3	1	noname	-0.0328
7	C5    -1.7971     1.6858     0.1920	C.2	1	noname	0.0018
8	C6    -2.2943    -0.7634     0.1079	C.2	1	noname	-0.0079
9	C7    -2.7262     0.6046     0.2133	C.2	1	noname	0.0030
10	C8    -4.0537     0.8733     0.3362	C.2	1	noname	0.0019
11	N3    -4.8982    -0.0817     0.3569	N.2	1	noname	0.1640
12	N4    -4.4648     2.1134     0.4333	N.3	1	noname	-0.1008
13	H1     2.7852     1.6092    -0.0282	H	1	noname	0.1013
14	H2    -0.5792    -2.1404    -0.0380	H	1	noname	0.0646
15	H3     0.6972     3.1178    -0.0179	H	1	noname	0.1537
16	H4    -2.1226     2.7231     0.2710	H	1	noname	0.0652
17	H5    -3.0340    -1.5639     0.0957	H	1	noname	0.0632
18	H6    -5.8879     0.1195     0.3652	H	1	noname	0.2870
19	H7    -4.5774    -1.0394     0.3652	H	1	noname	0.2870
20	H8    -3.7930     2.8666     0.4708	H	1	noname	0.1297
21	H9    -5.4535     2.3162     0.4708	H	1	noname	0.1297
@<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	9	1
11	9	10	1
12	10	11	2
13	10	12	1
14	3	13	1
15	5	14	1
16	6	15	1
17	7	16	1
18	8	17	1
19	11	18	1
20	11	19	1
21	12	20	1
22	12	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1