@<TRIPOS>MOLECULE
DB03002
13 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.0250    -1.7754     0.0000	I	1	noname	-0.0443
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0386
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	-0.0284
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0284
5	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0248
6	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0248
7	C6     1.3900     2.4076     0.0000	C.2	1	noname	0.0003
8	O1     2.0650     3.5767     0.0000	O.3	1	noname	-0.2860
9	H1     1.9350    -0.9440     0.0000	H	1	noname	0.0634
10	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0634
11	H3     3.1750     1.2038     0.0000	H	1	noname	0.0650
12	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0650
13	H5     2.2250     3.8538     0.9051	H	1	noname	0.2181
@<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	3	9	1
10	4	10	1
11	5	11	1
12	6	12	1
13	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1