@<TRIPOS>MOLECULE
92471709
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.1119     1.5385    -2.1877	Br	1	noname	-0.0477
2	O1    -0.0744     0.1252     0.1462	O.3	1	noname	-0.1897
3	O2     3.6542     1.1336    -1.4197	O.3	1	noname	-0.1948
4	O3     2.9449     0.9881     2.5769	O.2	1	noname	-0.2870
5	O4     2.2431    -0.9344     4.2808	O.3	1	noname	-0.2769
6	O5     5.1727     0.8945     1.1512	O.3	1	noname	-0.1996
7	O6     5.1466     3.1954     0.6777	O.2	1	noname	-0.2417
8	O7     3.6478     1.7061    -3.6950	O.2	1	noname	-0.2578
9	C1     2.1191     1.1343     0.3887	C.2	1	noname	0.1002
10	C2     3.2943     1.8607    -0.2257	C.3	1	noname	0.1843
11	C3     1.1182    -0.2895     2.1877	C.2	1	noname	0.0294
12	C4     0.9303     0.8911    -0.3781	C.2	1	noname	0.0486
13	C5     2.1066     0.6146     1.7185	C.2	1	noname	0.1080
14	C6    -0.0273    -0.4858     1.3561	C.2	1	noname	0.0463
15	C7     1.1878    -1.0026     3.4333	C.2	1	noname	0.0430
16	C8    -1.1032    -1.3109     1.7814	C.2	1	noname	-0.0314
17	C9    -1.0336    -1.9810     3.0279	C.2	1	noname	-0.0228
18	C10     0.6520     1.3264    -1.6870	C.2	1	noname	0.0673
19	C11     0.1088    -1.8461     3.8449	C.2	1	noname	-0.0342
20	C12     4.6109     2.0719     0.5629	C.2	1	noname	0.1570
21	C13     1.5387     1.5717    -2.6619	C.2	1	noname	0.0997
22	C14     2.9895     1.4839    -2.6558	C.2	1	noname	0.1097
23	C15    -2.1484    -2.8144     3.4686	C.3	1	noname	0.0040
24	C16     6.5784     0.7876     1.3220	C.3	1	noname	0.0454
25	H1     2.9694     2.8707    -0.4303	H	1	noname	0.0775
26	H2    -1.9262    -1.4208     1.1889	H	1	noname	0.0653
27	H3     0.1650    -2.3505     4.7297	H	1	noname	0.0653
28	H4     1.1425     1.8580    -3.5228	H	1	noname	0.0699
29	H5    -3.0491    -2.2054     3.5455	H	1	noname	0.0279
30	H6    -2.3114    -3.6146     2.7467	H	1	noname	0.0279
31	H7    -1.9170    -3.2454     4.4427	H	1	noname	0.0279
32	H8     2.0714    -1.5002     5.0624	H	1	noname	0.2182
33	H9     6.8166    -0.1713     1.7822	H	1	noname	0.0536
34	H10     6.9288     1.5958     1.9641	H	1	noname	0.0536
35	H11     7.0686     0.8565     0.3509	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	18	1
2	2	12	1
3	2	14	1
4	3	10	1
5	3	22	1
6	4	13	2
7	5	15	1
8	5	32	1
9	6	20	1
10	6	24	1
11	7	20	2
12	8	22	2
13	9	10	1
14	9	12	2
15	9	13	1
16	10	20	1
17	10	25	1
18	11	13	1
19	11	14	1
20	11	15	2
21	12	18	1
22	14	16	2
23	15	19	1
24	16	17	1
25	16	26	1
26	17	19	2
27	17	23	1
28	18	21	2
29	19	27	1
30	21	22	1
31	21	28	1
32	23	29	1
33	23	30	1
34	23	31	1
35	24	33	1
36	24	34	1
37	24	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1