@<TRIPOS>MOLECULE
DB04674
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.0250    -1.7754     0.0000	I	1	noname	-0.0414
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0254
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	0.0726
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	0.0187
5	O1     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2700
6	C4     2.0850     1.2038     0.0000	C.2	1	noname	0.0355
7	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0140
8	C6     3.4750     1.2038     0.0000	C.2	1	noname	0.0960
9	C7     1.3900     2.4076     0.0000	C.2	1	noname	0.0266
10	I2    -1.0250     4.1829     0.0000	I	1	noname	-0.0442
11	O2     4.1000     2.2863     0.0000	O.2	1	noname	-0.2568
12	O3     4.1500     0.0346     0.0000	O.3	1	noname	-0.2171
13	H1    -1.7850     1.2038     0.0000	H	1	noname	0.0645
14	H2     2.2250    -1.4463     0.9051	H	1	noname	0.2182
15	H3     1.9350     3.3515     0.0000	H	1	noname	0.0643
16	H4     4.3100    -0.2425     0.9051	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	6	8	1
8	6	9	2
9	7	10	1
10	7	9	1
11	8	11	2
12	8	12	1
13	4	13	1
14	5	14	1
15	9	15	1
16	12	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1