@<TRIPOS>MOLECULE
DB04410
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -4.2212    -1.4782     1.2520	N.3	1	noname	-0.3304
2	C1    -3.0013    -1.9789     0.6207	C.3	1	noname	-0.0073
3	C2    -2.0410    -0.8142     0.3714	C.3	1	noname	-0.0368
4	C3    -0.7644    -1.3382    -0.2893	C.3	1	noname	0.0060
5	C4     0.1520    -0.2267    -0.5272	C.2	1	noname	-0.0579
6	C5     1.0792     0.1299     0.4451	C.2	1	noname	-0.0651
7	C6     0.0972     0.4748    -1.7259	C.2	1	noname	-0.0651
8	C7     1.9516     1.1880     0.2186	C.2	1	noname	-0.0635
9	C8     0.9696     1.5329    -1.9524	C.2	1	noname	-0.0635
10	C9     1.8968     1.8896    -0.9802	C.2	1	noname	-0.0695
11	H1    -4.3104    -0.4961     1.4701	H	1	noname	0.1184
12	H2    -4.9747    -2.1144     1.4701	H	1	noname	0.1184
13	H3    -2.5344    -2.6393     1.3515	H	1	noname	0.0425
14	H4    -3.3044    -2.3689    -0.3510	H	1	noname	0.0425
15	H5    -2.5236    -0.1580    -0.3529	H	1	noname	0.0283
16	H6    -1.7536    -0.4284     1.3495	H	1	noname	0.0283
17	H7    -0.2657    -1.9895     0.4285	H	1	noname	0.0316
18	H8    -1.0357    -1.7190    -1.2739	H	1	noname	0.0316
19	H9     1.1221    -0.4202     1.3851	H	1	noname	0.0625
20	H10    -0.6299     0.1951    -2.4883	H	1	noname	0.0625
21	H11     2.6786     1.4677     0.9810	H	1	noname	0.0622
22	H12     0.9267     2.0831    -2.8924	H	1	noname	0.0622
23	H13     2.5809     2.7194    -1.1578	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	1	11	1
12	1	12	1
13	2	13	1
14	2	14	1
15	3	15	1
16	3	16	1
17	4	17	1
18	4	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1