@<TRIPOS>MOLECULE
73416588
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.9655     2.8343     0.5372	Br	1	noname	-0.0487
2	Br2     1.1402     5.2310     0.1756	Br	1	noname	-0.0436
3	Br3    -3.0821    -2.8610     0.4512	Br	1	noname	-0.0515
4	O1     0.0449     2.3395     0.2399	O.3	1	noname	-0.1901
5	O2    -4.1606     0.0096     0.6150	O.3	1	noname	-0.8323
6	O3     4.0419     4.7542    -0.6397	O.2	1	noname	-0.2913
7	O4     3.4290     0.1620     2.4502	O.3	1	noname	-0.2186
8	O5     5.4039    -0.5764     1.6583	O.2	1	noname	-0.2590
9	C1     1.4349    -0.0659     0.0011	C.2	1	noname	0.0052
10	C2     0.0132    -0.0788     0.2341	C.2	1	noname	-0.0296
11	C3     2.1124     1.1899    -0.1882	C.2	1	noname	0.0147
12	C4     2.1926    -1.2932    -0.0379	C.2	1	noname	0.0130
13	C5    -0.6688     1.1722     0.2808	C.2	1	noname	0.0352
14	C6     1.3872     2.3943     0.0233	C.2	1	noname	0.0391
15	C7    -0.7698    -1.2578     0.4112	C.2	1	noname	-0.0171
16	C8     3.4716     1.3122    -0.6242	C.2	1	noname	-0.0015
17	C9     3.4720    -1.4736     0.6221	C.2	1	noname	0.0101
18	C10    -2.0715     1.2154     0.4116	C.2	1	noname	-0.0007
19	C11     2.0661     3.6346    -0.0770	C.2	1	noname	0.1014
20	C12     1.6695    -2.4132    -0.7816	C.2	1	noname	-0.0288
21	C13    -2.1650    -1.2253     0.4160	C.2	1	noname	-0.0414
22	C14     4.1584     2.5265    -0.7147	C.2	1	noname	0.0392
23	C15    -2.8158     0.0182     0.4505	C.2	1	noname	0.0191
24	C16     3.4307     3.6838    -0.4463	C.2	1	noname	0.1010
25	C17     4.2112    -2.6593     0.4241	C.2	1	noname	-0.0026
26	C18     2.3270    -3.6696    -0.7648	C.2	1	noname	-0.0322
27	C19     3.6182    -3.7676    -0.2145	C.2	1	noname	-0.0419
28	C20     4.1552    -0.6028     1.6074	C.2	1	noname	0.0874
29	H1    -0.3256    -2.1637     0.5291	H	1	noname	0.0641
30	H2     4.0120     0.5074    -0.9231	H	1	noname	0.0631
31	H3     0.7753    -2.3476    -1.3055	H	1	noname	0.0629
32	H4     5.1463     2.5635    -0.9656	H	1	noname	0.0664
33	H5     5.1781    -2.7147     0.7441	H	1	noname	0.0631
34	H6     1.8677    -4.4955    -1.1487	H	1	noname	0.0622
35	H7     4.1296    -4.6478    -0.2780	H	1	noname	0.0622
36	H8     3.7898     1.0142     2.7726	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	18	1
2	2	19	1
3	3	21	1
4	4	13	1
5	4	14	1
6	5	23	1
7	6	24	2
8	7	28	1
9	7	36	1
10	8	28	2
11	9	10	1
12	9	11	2
13	9	12	1
14	10	13	1
15	10	15	2
16	11	14	1
17	11	16	1
18	12	17	1
19	12	20	2
20	13	18	2
21	14	19	2
22	15	21	1
23	15	29	1
24	16	22	2
25	16	30	1
26	17	25	2
27	17	28	1
28	18	23	1
29	19	24	1
30	20	26	1
31	20	31	1
32	21	23	2
33	22	24	1
34	22	32	1
35	25	27	1
36	25	33	1
37	26	27	2
38	26	34	1
39	27	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1