@<TRIPOS>MOLECULE
DB02303
14 14 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     3.8026    -0.0706    -0.8886	I	1	noname	-0.0713
2	C1     2.1079     0.6538     0.1591	C.3	1	noname	0.0950
3	C2     1.0720    -0.3870     0.1939	C.2	1	noname	0.0605
4	C3     1.5259     1.9010    -0.5883	C.3	1	noname	0.0629
5	O1     1.4537    -1.6367     0.3805	O.3	1	noname	-0.2561
6	N1    -0.1927    -0.1516     0.0526	N.2	1	noname	-0.1451
7	N2     0.1318     2.0507    -0.4153	N.2	1	noname	-0.1832
8	C4    -0.6554     1.0627    -0.1251	C.2	1	noname	0.0668
9	O2    -1.9513     1.2835    -0.0056	O.3	1	noname	-0.2290
10	H1     2.0624     0.9614     1.2038	H	1	noname	0.0521
11	H2     1.9468     2.7943    -0.1268	H	1	noname	0.0531
12	H3     1.6428     1.7341    -1.6591	H	1	noname	0.0531
13	H4     1.5089    -1.8173     1.3217	H	1	noname	0.2196
14	H5    -2.1847     1.3232     0.9248	H	1	noname	0.2215
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	1
7	6	8	1
8	7	8	2
9	8	9	1
10	2	10	1
11	4	11	1
12	4	12	1
13	5	13	1
14	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1