@<TRIPOS>MOLECULE
50078821
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.9314    -0.0944    -0.0854	N.2	1	noname	-0.2885
2	N2    -0.2810     0.2783     0.1414	N.3	1	noname	-0.0045
3	C1     1.7131     0.9793    -0.1869	C.2	1	noname	0.0176
4	C2    -1.3272    -0.5441     0.2981	C.2	1	noname	-0.0154
5	C3    -0.3326     1.6082     0.1958	C.2	1	noname	-0.0637
6	C4     0.9391     2.1131    -0.0116	C.2	1	noname	-0.0043
7	C5    -1.3488    -1.7728    -0.3514	C.2	1	noname	-0.0473
8	C6    -2.3909    -0.1685     1.1103	C.2	1	noname	-0.0473
9	C7    -2.4341    -2.6259    -0.1889	C.2	1	noname	-0.0595
10	C8    -3.4762    -1.0216     1.2729	C.2	1	noname	-0.0595
11	C9    -3.4978    -2.2503     0.6233	C.2	1	noname	-0.0822
12	H1     2.7855     0.9379    -0.3776	H	1	noname	0.0856
13	H2    -1.2448     2.1768     0.3762	H	1	noname	0.0813
14	H3     1.2559     3.1559    -0.0320	H	1	noname	0.0653
15	H4    -0.5147    -2.0673    -0.9883	H	1	noname	0.0643
16	H5    -2.3740     0.7950     1.6196	H	1	noname	0.0643
17	H6    -2.4511    -3.5894    -0.6982	H	1	noname	0.0623
18	H7    -4.3103    -0.7271     1.9097	H	1	noname	0.0623
19	H8    -4.3489    -2.9193     0.7508	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	6	2
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	3	12	1
14	5	13	1
15	6	14	1
16	7	15	1
17	8	16	1
18	9	17	1
19	10	18	1
20	11	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1