@<TRIPOS>MOLECULE
50078822
16 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.2738    -0.1525    -0.1891	N.2	1	noname	-0.2229
2	C1     0.0462    -0.3129     0.4372	C.2	1	noname	0.0363
3	C2     2.2975     0.6508     0.2712	C.2	1	noname	0.0066
4	C3    -0.8759    -1.2441    -0.1114	C.2	1	noname	0.0681
5	C4    -0.2241     0.4282     1.6425	C.2	1	noname	0.0056
6	C5     2.0759     1.3911     1.4677	C.2	1	noname	-0.0176
7	N2    -0.6050    -2.1114    -1.1023	N.2	1	noname	-0.1067
8	N3    -2.1307    -1.4972     0.2885	N.3	1	noname	0.0647
9	C6     0.8211     1.2682     2.1363	C.2	1	noname	-0.0311
10	N4    -1.6440    -2.8494    -1.2897	N.2	1	noname	-0.0828
11	N5    -2.5523    -2.4649    -0.4495	N.2	1	noname	-0.1741
12	H1     3.2349     0.6983    -0.2829	H	1	noname	0.0839
13	H2    -1.1807     0.3563     2.1600	H	1	noname	0.0646
14	H3     2.8546     2.0418     1.8656	H	1	noname	0.0638
15	H4    -2.6631    -1.0406     1.0153	H	1	noname	0.1791
16	H5     0.6558     1.8338     3.0533	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	5	9	2
9	6	9	1
10	7	10	1
11	8	11	1
12	10	11	2
13	3	12	1
14	5	13	1
15	6	14	1
16	8	15	1
17	9	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1