@<TRIPOS>MOLECULE
DB02234
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0000     0.0000     0.0000	S.3	1	noname	-0.0863
2	C1     1.7000     0.0000     0.0000	C.2	1	noname	-0.0565
3	C2    -0.6000     1.6971     0.0000	C.3	1	noname	-0.0024
4	N1     2.3375    -1.1042     0.0000	N.2	1	noname	-0.2624
5	N2     2.3550     1.1345     0.0000	N.3	1	noname	-0.1264
6	C3    -2.1300     1.6971     0.0000	C.3	1	noname	-0.0557
7	H1    -0.3381     2.1750     0.9440	H	1	noname	0.0382
8	H2    -0.3381     2.1750    -0.9440	H	1	noname	0.0382
9	H3     2.5058    -1.3957     0.9522	H	1	noname	0.1893
10	H4     3.3650     1.1345     0.0000	H	1	noname	0.1262
11	H5     1.8500     2.0092     0.0000	H	1	noname	0.1262
12	H6    -2.4933     1.6971     1.0277	H	1	noname	0.0239
13	H7    -2.4933     2.5870    -0.5138	H	1	noname	0.0239
14	H8    -2.4933     0.8071    -0.5138	H	1	noname	0.0239
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	3	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	6	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
