@<TRIPOS>MOLECULE
50078835
17 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.7210     1.2394    -0.0000	N.2	1	noname	-0.0874
2	N2     0.6749     1.9990    -0.0000	N.2	1	noname	-0.1858
3	N3     1.3397     0.0001     0.0000	N.2	1	noname	-0.1214
4	N4    -0.4023     1.2800    -0.0000	N.3	1	noname	0.0544
5	C1    -0.0010    -0.0003     0.0000	C.2	1	noname	0.0566
6	C2    -0.8237    -1.1207     0.0000	C.2	1	noname	-0.0194
7	C3    -2.2053    -0.9684     0.0000	C.2	1	noname	-0.0228
8	C4    -0.2648    -2.3934     0.0000	C.2	1	noname	-0.0228
9	C5    -3.0280    -2.0888     0.0000	C.2	1	noname	-0.0490
10	C6    -1.0875    -3.5138     0.0000	C.2	1	noname	-0.0490
11	C7    -2.4691    -3.3615     0.0000	C.2	1	noname	-0.0451
12	H1    -1.3465     1.6385     0.0000	H	1	noname	0.1791
13	H2    -2.6436     0.0296     0.0000	H	1	noname	0.0630
14	H3     0.8187    -2.5128     0.0000	H	1	noname	0.0630
15	H4    -4.1115    -1.9694     0.0000	H	1	noname	0.0622
16	H5    -0.6492    -4.5118     0.0000	H	1	noname	0.0622
17	H6    -3.1142    -4.2400     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	2
5	4	5	1
6	5	6	1
7	6	7	2
8	6	8	1
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	4	12	1
14	7	13	1
15	8	14	1
16	9	15	1
17	10	16	1
18	11	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1