@<TRIPOS>MOLECULE
76959335
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.9466    -1.6168     1.1612	N.3	1	noname	-0.3276
2	C1    -1.8884    -0.7457     0.6524	C.3	1	noname	0.0052
3	C2    -1.1409    -1.4575    -0.4770	C.3	1	noname	0.0144
4	C3    -0.0842    -0.5876    -0.9851	C.2	1	noname	-0.0568
5	C4    -0.9111    -0.4167     1.7827	C.3	1	noname	-0.0497
6	C5     1.1871    -0.6386    -0.4254	C.2	1	noname	-0.0634
7	C6    -0.3494     0.2916    -2.0286	C.2	1	noname	-0.0634
8	C7     2.1932     0.1895    -0.9092	C.2	1	noname	-0.0629
9	C8     0.6567     1.1197    -2.5124	C.2	1	noname	-0.0629
10	C9     1.9280     1.0687    -1.9527	C.2	1	noname	-0.0682
11	H1    -2.3282     0.1764     0.2724	H	1	noname	0.0462
12	H2    -1.8372    -1.6919    -1.2823	H	1	noname	0.0331
13	H3    -0.7012    -2.3796    -0.0970	H	1	noname	0.0331
14	H4    -0.1222     0.2327     1.4033	H	1	noname	0.0246
15	H5    -1.4437     0.0904     2.5873	H	1	noname	0.0246
16	H6    -0.4714    -1.3388     2.1627	H	1	noname	0.0246
17	H7     1.3818    -1.2838     0.3403	H	1	noname	0.0625
18	H8    -1.2823     0.3290    -2.4393	H	1	noname	0.0625
19	H9    -3.5994    -1.8366     0.4062	H	1	noname	0.1186
20	H10    -3.4459    -1.1414     1.9156	H	1	noname	0.1186
21	H11     3.1261     0.1521    -0.4985	H	1	noname	0.0622
22	H12     0.4620     1.7649    -3.2781	H	1	noname	0.0622
23	H13     2.6663     1.6764    -2.3076	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	19	1
3	1	20	1
4	2	3	1
5	2	5	1
6	2	11	1
7	3	4	1
8	3	12	1
9	3	13	1
10	4	6	2
11	4	7	1
12	5	14	1
13	5	15	1
14	5	16	1
15	6	8	1
16	6	17	1
17	7	9	2
18	7	18	1
19	8	10	2
20	8	21	1
21	9	10	1
22	9	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1