@<TRIPOS>MOLECULE
DB06824
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.0173    -1.3784     0.0000	N.3	1	noname	-0.3141
2	C1     1.5300     0.0000     0.0000	C.3	1	noname	0.0078
3	C2     3.4793    -1.3784     0.0000	C.3	1	noname	0.0076
4	C3     0.0000     0.0000     0.0000	C.3	1	noname	0.0078
5	C4     3.9893    -2.8209     0.0000	C.3	1	noname	0.0049
6	N2    -0.4873     1.3784     0.0000	N.3	1	noname	-0.3141
7	N3     5.4513    -2.8209     0.0000	N.3	1	noname	-0.3292
8	C5    -1.9493     1.3784     0.0000	C.3	1	noname	0.0076
9	C6    -2.4593     2.8209     0.0000	C.3	1	noname	0.0049
10	N4    -3.9213     2.8209     0.0000	N.3	1	noname	-0.3292
11	H1     1.4342    -2.2030     0.0000	H	1	noname	0.1223
12	H2     1.8588     0.4347     0.9440	H	1	noname	0.0441
13	H3     1.8588     0.4347    -0.9440	H	1	noname	0.0441
14	H4     3.7795    -0.9235    -0.9440	H	1	noname	0.0441
15	H5     3.7795    -0.9235     0.9440	H	1	noname	0.0441
16	H6    -0.3288    -0.4347    -0.9440	H	1	noname	0.0441
17	H7    -0.3288    -0.4347     0.9440	H	1	noname	0.0441
18	H8     3.6891    -3.2758     0.9440	H	1	noname	0.0438
19	H9     3.6891    -3.2758    -0.9440	H	1	noname	0.0438
20	H10     0.0958     2.2030     0.0000	H	1	noname	0.1223
21	H11     5.9563    -3.6956     0.0000	H	1	noname	0.1184
22	H12     5.9563    -1.9462     0.0000	H	1	noname	0.1184
23	H13    -2.2495     0.9235    -0.9440	H	1	noname	0.0441
24	H14    -2.2495     0.9235     0.9440	H	1	noname	0.0441
25	H15    -2.1591     3.2758     0.9440	H	1	noname	0.0438
26	H16    -2.1591     3.2758    -0.9440	H	1	noname	0.0438
27	H17    -4.4263     3.6956     0.0000	H	1	noname	0.1184
28	H18    -4.4263     1.9462     0.0000	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	8	9	1
9	9	10	1
10	1	11	1
11	2	12	1
12	2	13	1
13	3	14	1
14	3	15	1
15	4	16	1
16	4	17	1
17	5	18	1
18	5	19	1
19	6	20	1
20	7	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	25	1
25	9	26	1
26	10	27	1
27	10	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1