@<TRIPOS>MOLECULE
DB02203
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8353     1.3388     0.0000	O.3	1	noname	-0.3759
2	C1     1.3620     0.0000     0.0000	C.3	1	noname	0.1451
3	C2     0.0000     0.0000     0.0000	C.1	1	noname	0.0845
4	C3     1.8720    -0.7212    -1.2492	C.3	1	noname	-0.0227
5	C4     1.8720    -0.7212     1.2492	C.3	1	noname	-0.0227
6	N1    -1.1480     0.0000     0.0000	N.1	1	noname	-0.1828
7	H1     1.9420     1.6405     0.9051	H	1	noname	0.2122
8	H2     1.8100    -1.7988    -1.0974	H	1	noname	0.0270
9	H3     1.2607    -0.4394    -2.1065	H	1	noname	0.0270
10	H4     2.9086    -0.4394    -1.4338	H	1	noname	0.0270
11	H5     1.8100    -1.7988     1.0974	H	1	noname	0.0270
12	H6     2.9086    -0.4394     1.4338	H	1	noname	0.0270
13	H7     1.2607    -0.4394     2.1065	H	1	noname	0.0270
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	3
6	1	7	1
7	4	8	1
8	4	9	1
9	4	10	1
10	5	11	1
11	5	12	1
12	5	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
