@<TRIPOS>MOLECULE
DB02970
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.3676    -1.2391    -0.0772	N.3	1	noname	-0.1559
2	C1     0.1647    -0.0109    -0.0171	C.2	1	noname	-0.0412
3	C2     1.5097     0.1491     0.2951	C.2	1	noname	-0.0681
4	C3    -0.6280     1.1032    -0.2670	C.2	1	noname	-0.0731
5	C4     2.0620     1.4232     0.3575	C.2	1	noname	-0.0690
6	C5     2.3424    -1.0210     0.5576	C.3	1	noname	0.0078
7	C6    -0.0758     2.3773    -0.2047	C.2	1	noname	-0.0733
8	C7     1.2692     2.5373     0.1076	C.2	1	noname	-0.0953
9	C8     2.9677    -1.5062    -0.7518	C.3	1	noname	-0.0520
10	C9     3.8403    -2.7325    -0.4767	C.3	1	noname	-0.0651
11	H1    -1.3708    -1.3541    -0.0999	H	1	noname	0.1242
12	H2     0.2343    -2.0498    -0.0999	H	1	noname	0.1242
13	H3    -1.6827     0.9778    -0.5119	H	1	noname	0.0639
14	H4     3.1167     1.5487     0.6024	H	1	noname	0.0626
15	H5     3.1517    -0.6749     1.2005	H	1	noname	0.0316
16	H6     1.6640    -1.7995     0.9068	H	1	noname	0.0316
17	H7    -0.6975     3.2509    -0.4007	H	1	noname	0.0623
18	H8     1.7022     3.5364     0.1565	H	1	noname	0.0622
19	H9     2.1475    -1.8398    -1.3875	H	1	noname	0.0267
20	H10     3.6352    -0.7153    -1.0937	H	1	noname	0.0267
21	H11     3.9404    -2.8731     0.5995	H	1	noname	0.0230
22	H12     3.3759    -3.6149    -0.9168	H	1	noname	0.0230
23	H13     4.8262    -2.5830    -0.9168	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	7	8	1
10	9	10	1
11	1	11	1
12	1	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	9	19	1
20	9	20	1
21	10	21	1
22	10	22	1
23	10	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1