@<TRIPOS>MOLECULE
DB02891
20 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7706    -0.1127     0.0848	S.3	1	noname	-0.1505
2	C1     0.0252     0.0830     0.1807	C.2	1	noname	0.0700
3	C2     2.0488     1.6119    -0.1695	C.2	1	noname	0.0352
4	N1    -1.0778    -0.6507     0.3473	N.2	1	noname	-0.1324
5	N2    -0.2666     1.3782     0.0853	N.3	1	noname	0.0815
6	C3     0.7695     2.2611    -0.0559	C.2	1	noname	-0.0227
7	C4     3.2252     2.2981    -0.5790	C.2	1	noname	-0.0185
8	N3    -2.0617     0.2006     0.2962	N.2	1	noname	-0.1533
9	C5    -1.6127     1.4609     0.1118	C.2	1	noname	0.0284
10	C6     0.6473     3.6695    -0.2764	C.2	1	noname	-0.0262
11	C7     3.0629     3.6853    -0.8624	C.2	1	noname	-0.0478
12	C8     1.8103     4.3510    -0.7271	C.2	1	noname	-0.0488
13	C9    -0.6118     4.3729    -0.0492	C.3	1	noname	0.0086
14	H1     4.1875     1.7942    -0.6695	H	1	noname	0.0638
15	H2    -2.2152     2.3630     0.0058	H	1	noname	0.1040
16	H3     3.9286     4.2582    -1.1948	H	1	noname	0.0623
17	H4     1.7400     5.4101    -0.9751	H	1	noname	0.0626
18	H5    -0.7856     4.4700     1.0224	H	1	noname	0.0280
19	H6    -0.5608     5.3639    -0.5003	H	1	noname	0.0280
20	H7    -1.4290     3.8100    -0.5003	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	1
9	5	6	1
10	6	10	1
11	7	11	2
12	8	9	2
13	10	12	2
14	10	13	1
15	11	12	1
16	7	14	1
17	9	15	1
18	11	16	1
19	12	17	1
20	13	18	1
21	13	19	1
22	13	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1