@<TRIPOS>MOLECULE
DB02114
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -0.5249    -1.2182    -0.2582	N.3	1	noname	-0.1571
2	C1     0.0326    -0.0127    -0.0804	C.2	1	noname	-0.0431
3	C2     1.4036     0.1496    -0.2421	C.2	1	noname	-0.0720
4	C3    -0.7601     1.0754     0.2656	C.2	1	noname	-0.0720
5	C4     1.9819     1.4001    -0.0577	C.2	1	noname	-0.0663
6	C5    -0.1818     2.3259     0.4500	C.2	1	noname	-0.0663
7	C6     1.1892     2.4882     0.2883	C.2	1	noname	-0.0882
8	C7     1.7966     3.8017     0.4820	C.3	1	noname	0.0046
9	C8     1.8087     4.5590    -0.8474	C.3	1	noname	-0.0587
10	C9     3.2315     3.6309     0.9847	C.3	1	noname	-0.0587
11	H1    -1.5289    -1.3054    -0.3252	H	1	noname	0.1242
12	H2     0.0590    -2.0397    -0.3252	H	1	noname	0.1242
13	H3     2.0252    -0.7036    -0.5135	H	1	noname	0.0639
14	H4    -1.8352     0.9480     0.3924	H	1	noname	0.0639
15	H5     3.0570     1.5275    -0.1845	H	1	noname	0.0626
16	H6    -0.8034     3.1791     0.7213	H	1	noname	0.0626
17	H7     1.1897     4.3271     1.2194	H	1	noname	0.0346
18	H8     1.8161     3.8459    -1.6717	H	1	noname	0.0236
19	H9     0.9193     5.1853    -0.9168	H	1	noname	0.0236
20	H10     2.6992     5.1853    -0.9007	H	1	noname	0.0236
21	H11     3.2370     3.6302     2.0747	H	1	noname	0.0236
22	H12     3.6347     2.6866     0.6187	H	1	noname	0.0236
23	H13     3.8451     4.4541     0.6187	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	1
11	1	11	1
12	1	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	8	17	1
18	9	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