@<TRIPOS>MOLECULE
50078831
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.9848    -0.1029    -0.0857	N.2	1	noname	-0.3111
2	N2     1.7162     0.9593    -0.1767	N.3	1	noname	-0.0366
3	C1    -0.2788     0.2799     0.1402	C.2	1	noname	0.0304
4	C2     0.9869     2.0691    -0.0188	C.2	1	noname	-0.0749
5	C3    -1.3677    -0.5695     0.2983	C.2	1	noname	-0.0286
6	C4    -0.3194     1.6625     0.1898	C.2	1	noname	0.0050
7	C5    -1.3883    -1.8004    -0.3471	C.2	1	noname	-0.0317
8	C6    -2.4359    -0.1880     1.1017	C.2	1	noname	-0.0317
9	C7    -2.4771    -2.6499    -0.1890	C.2	1	noname	-0.0524
10	C8    -3.5247    -1.0375     1.2598	C.2	1	noname	-0.0524
11	C9    -3.5453    -2.2684     0.6145	C.2	1	noname	-0.0497
12	H1     2.7113     0.9268    -0.3462	H	1	noname	0.1747
13	H2     1.3744     3.0874    -0.0529	H	1	noname	0.0806
14	H3    -1.1915     2.2945     0.3571	H	1	noname	0.0659
15	H4    -0.5507    -2.0996    -0.9771	H	1	noname	0.0629
16	H5    -2.4197     0.7772     1.6078	H	1	noname	0.0629
17	H6    -2.4933    -3.6151    -0.6950	H	1	noname	0.0622
18	H7    -4.3623    -0.7383     1.8899	H	1	noname	0.0622
19	H8    -4.3991    -2.9345     0.7385	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	6	2
7	5	7	2
8	5	8	1
9	7	9	1
10	8	10	2
11	9	11	2
12	10	11	1
13	2	12	1
14	4	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