@<TRIPOS>MOLECULE
76959843
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6616    -1.1847    -0.7327	O.3	1	noname	-0.2387
2	N1    -0.2847    -2.6932    -1.5562	N.2	1	noname	-0.2223
3	N2    -2.4181    -2.7014    -2.3240	N.3	1	noname	-0.1000
4	C1    -0.5755    -1.3192     0.1956	C.3	1	noname	0.1116
5	C2     0.4909    -2.0278    -0.6443	C.3	1	noname	0.0740
6	C3    -0.1938    -0.0580     0.9162	C.2	1	noname	-0.0413
7	C4     0.7362     0.8999     0.3520	C.2	1	noname	-0.0483
8	C5    -0.7413     0.1878     2.2228	C.2	1	noname	-0.0483
9	C6    -1.4672    -2.2179    -1.5636	C.2	1	noname	-0.0540
10	C7     1.1659     2.0192     1.1209	C.2	1	noname	-0.0582
11	C8    -0.3173     1.3092     2.9990	C.2	1	noname	-0.0582
12	C9     0.6464     2.2030     2.4476	C.2	1	noname	-0.0610
13	H1    -0.8825    -2.0773     0.9329	H	1	noname	0.0681
14	H2     1.0219    -2.7495    -0.0237	H	1	noname	0.0547
15	H3     1.1700    -1.3503    -1.1619	H	1	noname	0.0547
16	H4     1.0840     0.7721    -0.5983	H	1	noname	0.0626
17	H5    -1.4431    -0.4484     2.6011	H	1	noname	0.0626
18	H6     1.8358     2.6837     0.7335	H	1	noname	0.0622
19	H7    -0.6976     1.4677     3.9321	H	1	noname	0.0622
20	H8     0.9742     2.9903     3.0072	H	1	noname	0.0622
21	H9    -3.2353    -2.1997    -2.1781	H	1	noname	0.1278
22	H10    -2.5671    -3.6338    -2.1017	H	1	noname	0.1278
@<TRIPOS>BOND
1	1	4	1
2	1	9	1
3	2	5	1
4	2	9	2
5	3	9	1
6	3	21	1
7	3	22	1
8	4	5	1
9	4	6	1
10	4	13	1
11	5	14	1
12	5	15	1
13	6	7	2
14	6	8	1
15	7	10	1
16	7	16	1
17	8	11	2
18	8	17	1
19	10	12	2
20	10	18	1
21	11	12	1
22	11	19	1
23	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1