@<TRIPOS>MOLECULE
71586901
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6569     1.2803     0.0783	O.2	1	noname	-0.2561
2	N1     0.0262    -0.0998     0.0288	N.2	1	noname	-0.1683
3	N2     1.2246    -1.9258     0.1671	N.3	1	noname	-0.1276
4	N3     2.3342    -0.0563    -0.2475	N.3	1	noname	-0.1276
5	N4     0.3437     2.2256    -0.1893	N.3	1	noname	-0.0506
6	C1     1.1822    -0.6438    -0.0293	C.2	1	noname	-0.1079
7	C2    -0.4198     1.1316    -0.0635	C.2	1	noname	0.0731
8	H1     2.3998     0.8931    -0.4202	H	1	noname	0.1267
9	H2     2.8214    -0.5435    -0.9302	H	1	noname	0.1267
10	H3     2.1424    -2.2328     0.1014	H	1	noname	0.1267
11	H4     0.6851    -2.3736    -0.5032	H	1	noname	0.1267
12	H5    -0.0770     3.0891    -0.0582	H	1	noname	0.1291
13	H6     1.2910     2.1660    -0.3844	H	1	noname	0.1291
@<TRIPOS>BOND
1	1	7	2
2	2	6	2
3	2	7	1
4	3	6	1
5	3	10	1
6	3	11	1
7	4	6	1
8	4	8	1
9	4	9	1
10	5	7	1
11	5	12	1
12	5	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1