@<TRIPOS>MOLECULE
50078823
18 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3394     0.0002     0.0000	N.2	1	noname	-0.1678
2	N2     1.7389     1.2279    -0.0000	N.2	1	noname	-0.1704
3	C1    -0.0004    -0.0001     0.0000	C.2	1	noname	0.0138
4	C2     0.6743     2.0399    -0.0000	C.2	1	noname	-0.0155
5	N3    -0.4195     1.2701    -0.0000	N.3	1	noname	-0.0081
6	C3    -0.8148    -1.1266     0.0000	C.2	1	noname	-0.0209
7	C4    -2.1975    -0.9846     0.0000	C.2	1	noname	-0.0267
8	C5    -0.2464    -2.3951     0.0000	C.2	1	noname	-0.0267
9	C6    -3.0119    -2.1110     0.0000	C.2	1	noname	-0.0501
10	C7    -1.0608    -3.5216     0.0000	C.2	1	noname	-0.0501
11	C8    -2.4435    -3.3795     0.0000	C.2	1	noname	-0.0488
12	H1     0.6944     3.1297    -0.0000	H	1	noname	0.1033
13	H2    -1.3784     1.5872     0.0000	H	1	noname	0.1553
14	H3    -2.6432     0.0101     0.0000	H	1	noname	0.0630
15	H4     0.8379    -2.5065     0.0000	H	1	noname	0.0630
16	H5    -4.0962    -1.9997     0.0000	H	1	noname	0.0622
17	H6    -0.6151    -4.5163     0.0000	H	1	noname	0.0622
18	H7    -3.0821    -4.2629     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	2
4	3	5	1
5	3	6	1
6	4	5	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	5	13	1
15	7	14	1
16	8	15	1
17	9	16	1
18	10	17	1
19	11	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1