@<TRIPOS>MOLECULE
50078824
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3402    -0.0000    -0.0000	N.2	1	noname	-0.2373
2	C1     0.0006     0.0002    -0.0000	C.2	1	noname	-0.0333
3	C2     1.7648     1.2670     0.0000	C.2	1	noname	0.0066
4	N2    -0.4209     1.2709     0.0000	N.3	1	noname	-0.0445
5	C3    -0.8131    -1.1268    -0.0000	C.2	1	noname	-0.0229
6	C4     0.6416     2.0829     0.0000	C.2	1	noname	-0.0818
7	C5    -2.1959    -0.9856    -0.0000	C.2	1	noname	-0.0315
8	C6    -0.2440    -2.3949    -0.0000	C.2	1	noname	-0.0315
9	C7    -3.0096    -2.1125    -0.0000	C.2	1	noname	-0.0514
10	C8    -1.0576    -3.5219    -0.0000	C.2	1	noname	-0.0514
11	C9    -2.4404    -3.3807    -0.0000	C.2	1	noname	-0.0532
12	H1     2.8112     1.5720    -0.0000	H	1	noname	0.0853
13	H2    -1.3858     1.5692    -0.0000	H	1	noname	0.1537
14	H3     0.6010     3.1721     0.0000	H	1	noname	0.0806
15	H4    -2.6422     0.0089    -0.0000	H	1	noname	0.0630
16	H5     0.8404    -2.5056    -0.0000	H	1	noname	0.0630
17	H6    -4.0939    -2.0018    -0.0000	H	1	noname	0.0622
18	H7    -0.6113    -4.5163    -0.0000	H	1	noname	0.0622
19	H8    -3.0785    -4.2644    -0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	6	1
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	3	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