@<TRIPOS>MOLECULE
119025713
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.1739    -0.9754     0.2609	Br	1	noname	-0.0478
2	O1     2.0851     1.2712    -0.0062	O.3	1	noname	-0.1854
3	O2    -1.9553     1.0194    -0.1169	O.2	1	noname	-0.2871
4	O3    -2.2183     3.4816    -0.0396	O.3	1	noname	-0.2769
5	O4    -0.3142    -3.7149     0.3955	O.3	1	noname	-0.2758
6	O5    -2.5664    -2.4594     0.8072	O.3	1	noname	-0.2069
7	O6    -2.6435    -0.6272    -0.5003	O.2	1	noname	-0.2539
8	C1     0.0592    -0.0686     0.0601	C.2	1	noname	0.0816
9	C2    -0.0830     2.3583    -0.1311	C.2	1	noname	0.0297
10	C3     1.3572     2.4248    -0.1228	C.2	1	noname	0.0464
11	C4     1.5019     0.0442     0.0917	C.2	1	noname	0.0664
12	C5    -0.7089     1.0981    -0.0646	C.2	1	noname	0.1037
13	C6    -0.5746    -1.3409     0.1648	C.2	1	noname	0.0692
14	C7    -0.8703     3.5429    -0.0795	C.2	1	noname	0.0430
15	C8     2.0360     3.6780    -0.1202	C.2	1	noname	-0.0312
16	C9     1.2426     4.8689    -0.1093	C.2	1	noname	-0.0228
17	C10     2.3225    -1.1141     0.2227	C.2	1	noname	0.0528
18	C11     0.2561    -2.4954     0.2959	C.2	1	noname	0.0586
19	C12    -0.1882     4.8010    -0.0711	C.2	1	noname	-0.0340
20	C13     1.6788    -2.3824     0.3236	C.2	1	noname	0.0345
21	C14    -1.9597    -1.4549     0.1399	C.2	1	noname	0.1087
22	C15     1.9005     6.1719    -0.1376	C.3	1	noname	0.0040
23	C16    -3.8728    -2.2756     1.3326	C.3	1	noname	0.0457
24	H1     3.0550     3.7246    -0.1258	H	1	noname	0.0653
25	H2    -0.7300     5.6645    -0.0373	H	1	noname	0.0653
26	H3     2.2458    -3.2251     0.4174	H	1	noname	0.0663
27	H4     2.4993     6.2570    -1.0444	H	1	noname	0.0279
28	H5     1.1472     6.9596    -0.1244	H	1	noname	0.0279
29	H6     2.5461     6.2720     0.7349	H	1	noname	0.0279
30	H7    -2.5858     4.3895    -0.0072	H	1	noname	0.2182
31	H8     0.3848    -4.3967     0.4786	H	1	noname	0.2182
32	H9    -4.1945    -3.1884     1.8340	H	1	noname	0.0536
33	H10    -4.5620    -2.0452     0.5202	H	1	noname	0.0536
34	H11    -3.8647    -1.4522     2.0467	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	17	1
2	2	10	1
3	2	11	1
4	3	12	2
5	4	14	1
6	4	30	1
7	5	18	1
8	5	31	1
9	6	21	1
10	6	23	1
11	7	21	2
12	8	11	1
13	8	12	1
14	8	13	2
15	9	10	1
16	9	12	1
17	9	14	2
18	10	15	2
19	11	17	2
20	13	18	1
21	13	21	1
22	14	19	1
23	15	16	1
24	15	24	1
25	16	19	2
26	16	22	1
27	17	20	1
28	18	20	2
29	19	25	1
30	20	26	1
31	22	27	1
32	22	28	1
33	22	29	1
34	23	32	1
35	23	33	1
36	23	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1