@<TRIPOS>MOLECULE
91827021
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.9918    -7.6817     1.2191	Br	1	noname	-0.0487
2	Br2     1.4386    -5.1402     5.2269	Br	1	noname	-0.0436
3	Br3     1.5180    -5.2454    -3.9031	Br	1	noname	-0.0515
4	Br4     1.6923     0.5576     4.9770	Br	1	noname	-0.0465
5	O1     1.5414    -4.8028     2.1582	O.3	1	noname	-0.1899
6	O2     1.0742    -7.4756    -1.8406	O.3	1	noname	-0.8323
7	O3     1.4523    -2.2452     6.1468	O.2	1	noname	-0.2829
8	O4     4.7796    -1.5911     1.7179	O.3	1	noname	-0.2186
9	O5     4.6142     0.6411     1.9684	O.2	1	noname	-0.2590
10	C1     1.9428    -2.5038     0.6436	C.2	1	noname	0.0064
11	C2     1.7980    -3.7736    -0.0135	C.2	1	noname	-0.0296
12	C3     1.7945    -2.4259     2.0717	C.2	1	noname	0.0221
13	C4     2.2385    -1.3046    -0.1017	C.2	1	noname	0.0130
14	C5     1.5262    -4.9173     0.7918	C.2	1	noname	0.0352
15	C6     1.6765    -3.6218     2.8236	C.2	1	noname	0.0418
16	C7     1.8982    -3.9723    -1.4234	C.2	1	noname	-0.0170
17	C8     1.7089    -1.2027     2.7963	C.2	1	noname	0.0251
18	C9     3.2237    -0.3205     0.3088	C.2	1	noname	0.0102
19	C10     1.2848    -6.1689     0.1889	C.2	1	noname	-0.0007
20	C11     1.6146    -3.5719     4.2381	C.2	1	noname	0.1094
21	C12     1.5146    -1.0463    -1.3223	C.2	1	noname	-0.0288
22	C13     1.5366    -5.1764    -2.0294	C.2	1	noname	-0.0414
23	C14     1.6809    -1.1314     4.1896	C.2	1	noname	0.0758
24	C15     1.2633    -6.2886    -1.2170	C.2	1	noname	0.0192
25	C16     1.6050    -2.3288     4.9077	C.2	1	noname	0.1211
26	C17     3.3557     0.8888    -0.4062	C.2	1	noname	-0.0026
27	C18     1.8419     0.0616    -2.1421	C.2	1	noname	-0.0322
28	C19     2.7155     1.0516    -1.6513	C.2	1	noname	-0.0419
29	C20     4.2460    -0.3981     1.3792	C.2	1	noname	0.0874
30	H1     2.2285    -3.2272    -2.0311	H	1	noname	0.0641
31	H2     1.6482    -0.3060     2.3247	H	1	noname	0.0643
32	H3     0.7720    -1.6893    -1.6598	H	1	noname	0.0629
33	H4     3.9167     1.6482    -0.0204	H	1	noname	0.0631
34	H5     1.4484     0.1418    -3.0797	H	1	noname	0.0622
35	H6     2.8863     1.8933    -2.2016	H	1	noname	0.0622
36	H7     5.0846    -1.7486     2.6358	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	19	1
2	2	20	1
3	3	22	1
4	4	23	1
5	5	14	1
6	5	15	1
7	6	24	1
8	7	25	2
9	8	29	1
10	8	36	1
11	9	29	2
12	10	11	1
13	10	12	2
14	10	13	1
15	11	14	1
16	11	16	2
17	12	15	1
18	12	17	1
19	13	18	1
20	13	21	2
21	14	19	2
22	15	20	2
23	16	22	1
24	16	30	1
25	17	23	2
26	17	31	1
27	18	26	2
28	18	29	1
29	19	24	1
30	20	25	1
31	21	27	1
32	21	32	1
33	22	24	2
34	23	25	1
35	26	28	1
36	26	33	1
37	27	28	2
38	27	34	1
39	28	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1