@<TRIPOS>MOLECULE
102445134
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     2.3441    -1.2978    -5.2099	I	1	noname	-0.0414
2	I2     0.6565     4.0335     4.3129	I	1	noname	-0.0414
3	Br1     3.1055     4.4818    -4.5971	Br	1	noname	-0.0450
4	Br2     2.3067     6.7279    -0.6159	Br	1	noname	-0.0450
5	O1     3.5372     1.2322     0.0030	O.3	1	noname	-0.1918
6	O2     2.5860     3.8760    -1.6639	O.3	1	noname	-0.1838
7	O3     5.0473    -0.6063     0.4646	O.2	1	noname	-0.2562
8	O4     2.9317     1.7264    -5.9446	O.3	1	noname	-0.2714
9	O5     1.4465     6.3372     2.3010	O.3	1	noname	-0.2714
10	C1     2.1281     1.3555    -0.3305	C.3	1	noname	0.1593
11	C2     1.5752     0.1156     0.2880	C.2	1	noname	0.0172
12	C3     1.7725     2.6565     0.3247	C.2	1	noname	0.0017
13	C4     2.1740     1.4443    -1.8283	C.2	1	noname	0.0017
14	C5     2.6364    -0.7158     0.7088	C.2	1	noname	0.0131
15	C6     2.0691     3.8802    -0.3778	C.2	1	noname	0.0561
16	C7     2.4677     2.7308    -2.4225	C.2	1	noname	0.0561
17	C8     3.9053    -0.1022     0.4011	C.2	1	noname	0.0963
18	C9     0.2171    -0.2607     0.5430	C.2	1	noname	-0.0261
19	C10     2.1280     0.2701    -2.6371	C.2	1	noname	0.0020
20	C11     1.3396     2.7015     1.6964	C.2	1	noname	0.0020
21	C12     2.4418    -1.9701     1.3472	C.2	1	noname	-0.0015
22	C13     1.9474     5.1441     0.2845	C.2	1	noname	0.0489
23	C14     2.7261     2.8364    -3.8244	C.2	1	noname	0.0489
24	C15     1.2405     3.9534     2.3495	C.2	1	noname	0.0059
25	C16     2.3907     0.3799    -4.0327	C.2	1	noname	0.0059
26	C17    -0.0025    -1.5075     1.2033	C.2	1	noname	-0.0311
27	C18     1.5435     5.1570     1.6527	C.2	1	noname	0.0588
28	C19     2.6862     1.6481    -4.6194	C.2	1	noname	0.0588
29	C20     1.0889    -2.3515     1.5846	C.2	1	noname	-0.0414
30	H1     1.1067     1.8412     2.1923	H	1	noname	0.0639
31	H2     1.9101    -0.6356    -2.2217	H	1	noname	0.0639
32	H3    -0.5610     0.3371     0.2644	H	1	noname	0.0627
33	H4     3.2252    -2.5636     1.6199	H	1	noname	0.0631
34	H5    -0.9571    -1.8030     1.4076	H	1	noname	0.0622
35	H6     0.8943    -3.2452     2.0361	H	1	noname	0.0622
36	H7     1.6857     7.0658     1.6908	H	1	noname	0.2182
37	H8     3.1157     2.6576    -6.1883	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	25	1
2	2	24	1
3	3	23	1
4	4	22	1
5	5	10	1
6	5	17	1
7	6	15	1
8	6	16	1
9	7	17	2
10	8	28	1
11	8	37	1
12	9	27	1
13	9	36	1
14	10	11	1
15	10	12	1
16	10	13	1
17	11	14	1
18	11	18	2
19	12	15	1
20	12	20	2
21	13	16	1
22	13	19	2
23	14	17	1
24	14	21	2
25	15	22	2
26	16	23	2
27	18	26	1
28	18	32	1
29	19	25	1
30	19	31	1
31	20	24	1
32	20	30	1
33	21	29	1
34	21	33	1
35	22	27	1
36	23	28	1
37	24	27	2
38	25	28	2
39	26	29	2
40	26	34	1
41	29	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1