@<TRIPOS>MOLECULE
85936693
22 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.2268     0.2210    -0.7650	N.3	1	noname	-0.2643
2	N2     2.4084     1.0170     0.2217	N.3	1	noname	-0.2643
3	N3     0.2340     1.8293     1.1240	N.3	1	noname	-0.2643
4	N4     0.9524    -0.5369     1.4982	N.3	1	noname	-0.2643
5	C1     1.6630     2.1658     0.8366	C.3	1	noname	0.0556
6	C2    -0.4196     1.4253    -0.1680	C.3	1	noname	0.0556
7	C3     1.6672     0.6038    -1.0353	C.3	1	noname	0.0556
8	C4     2.3627    -0.1533     1.1462	C.3	1	noname	0.0556
9	C5     0.2414     0.6598     2.0680	C.3	1	noname	0.0556
10	C6     0.2313    -0.8984     0.2389	C.3	1	noname	0.0556
11	H1    -0.7952    -1.1784     0.4756	H	1	noname	0.0603
12	H2     0.7453    -1.7469    -0.2129	H	1	noname	0.0603
13	H3    -0.7842     0.3881     2.3180	H	1	noname	0.0603
14	H4     0.7628     0.9683     2.9742	H	1	noname	0.0603
15	H5     2.8653    -1.0022     0.6828	H	1	noname	0.0603
16	H6     2.8693     0.1318     2.0683	H	1	noname	0.0603
17	H7     1.6971     1.4183    -1.7590	H	1	noname	0.0603
18	H8     2.1808    -0.2640    -1.4493	H	1	noname	0.0603
19	H9    -1.4759     1.2214     0.0074	H	1	noname	0.0603
20	H10    -0.3364     2.2516    -0.8740	H	1	noname	0.0603
21	H11     1.7065     3.0262     0.1688	H	1	noname	0.0603
22	H12     2.1528     2.4222     1.7760	H	1	noname	0.0603
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	1	10	1
4	2	5	1
5	2	7	1
6	2	8	1
7	3	5	1
8	3	6	1
9	3	9	1
10	4	8	1
11	4	9	1
12	4	10	1
13	5	21	1
14	5	22	1
15	6	19	1
16	6	20	1
17	7	17	1
18	7	18	1
19	8	15	1
20	8	16	1
21	9	13	1
22	9	14	1
23	10	11	1
24	10	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1