@<TRIPOS>MOLECULE
71587712
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     4.0658     1.1032     0.0834	I	1	noname	-0.0442
2	O1    -0.4826    -2.0627     0.6115	O.3	1	noname	-0.2191
3	O2    -2.0350    -0.9538    -0.5855	O.2	1	noname	-0.2597
4	C1    -0.1440     0.2005    -0.0165	C.2	1	noname	0.0044
5	C2     1.2417     0.1005     0.0257	C.2	1	noname	0.0174
6	C3    -0.7495     1.4509    -0.0630	C.2	1	noname	-0.0039
7	C4     2.0221     1.2508     0.0213	C.2	1	noname	-0.0068
8	C5     0.0309     2.6012    -0.0674	C.2	1	noname	-0.0351
9	C6     1.4166     2.5011    -0.0253	C.2	1	noname	-0.0119
10	C7    -0.9243    -0.9498    -0.0121	C.2	1	noname	0.0845
11	H1     1.6860    -0.8171     0.0598	H	1	noname	0.0642
12	H2    -1.7663     1.5243    -0.0939	H	1	noname	0.0631
13	H3    -0.4134     3.5187    -0.1015	H	1	noname	0.0623
14	H4     1.9892     3.3452    -0.0285	H	1	noname	0.0633
15	H5    -0.7515    -2.9467     0.2851	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	7	1
2	2	10	1
3	2	15	1
4	3	10	2
5	4	5	2
6	4	6	1
7	4	10	1
8	5	7	1
9	5	11	1
10	6	8	2
11	6	12	1
12	7	9	2
13	8	9	1
14	8	13	1
15	9	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1