@<TRIPOS>MOLECULE
DB01576
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.9586    -1.9271     0.6096	N.3	1	noname	-0.3276
2	C1    -2.0410    -0.8142     0.3714	C.3	1	noname	0.0052
3	C2    -0.7644    -1.3382    -0.2893	C.3	1	noname	0.0144
4	C3    -1.6897    -0.1488     1.7036	C.3	1	noname	-0.0497
5	C4     0.1520    -0.2267    -0.5272	C.2	1	noname	-0.0568
6	C5     1.0792     0.1299     0.4451	C.2	1	noname	-0.0634
7	C6     0.0972     0.4748    -1.7259	C.2	1	noname	-0.0634
8	C7     1.9516     1.1880     0.2186	C.2	1	noname	-0.0629
9	C8     0.9696     1.5329    -1.9524	C.2	1	noname	-0.0629
10	C9     1.8968     1.8896    -0.9802	C.2	1	noname	-0.0682
11	H1    -3.9504    -1.7552     0.6919	H	1	noname	0.1186
12	H2    -2.6007    -2.8680     0.6919	H	1	noname	0.1186
13	H3    -2.5542    -0.1122    -0.2858	H	1	noname	0.0462
14	H4    -0.2657    -1.9895     0.4285	H	1	noname	0.0331
15	H5    -1.0357    -1.7190    -1.2739	H	1	noname	0.0331
16	H6    -1.4923    -0.9161     2.4521	H	1	noname	0.0246
17	H7    -0.8027     0.4719     1.5769	H	1	noname	0.0246
18	H8    -2.5238     0.4719     2.0308	H	1	noname	0.0246
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	2	1	1
2	2	3	1
3	2	4	1
4	3	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	3	14	1
15	3	15	1
16	4	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