@<TRIPOS>MOLECULE
71748905
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.6535    -5.3362     3.4369	Br	1	noname	-0.0508
2	O1     0.8579     5.0401     1.9748	O.3	1	noname	-0.3924
3	N1     2.7039    -0.3447     0.6217	N.3	1	noname	-0.1428
4	C1     1.2609     1.7779     0.3255	C.3	1	noname	-0.0246
5	C2     1.9148     0.9200     2.6531	C.3	1	noname	-0.0246
6	C3     2.6107     3.2714     1.9218	C.3	1	noname	-0.0143
7	C4     0.1391     2.7295     2.4517	C.3	1	noname	-0.0143
8	C5     1.6421     0.4900     1.1542	C.3	1	noname	0.0170
9	C6     1.2740     3.8106     2.5601	C.3	1	noname	0.0598
10	C7     2.3629     2.8853     0.4211	C.3	1	noname	-0.0436
11	C8    -0.0604     2.3741     0.9317	C.3	1	noname	-0.0436
12	C9     3.0453     1.9895     2.7091	C.3	1	noname	-0.0436
13	C10     0.5998     1.4816     3.2610	C.3	1	noname	-0.0436
14	C11     3.0731    -1.5639     1.1589	C.2	1	noname	-0.0326
15	C12     4.2905    -2.1667     0.7055	C.2	1	noname	-0.0604
16	C13     2.3220    -2.2201     2.1841	C.2	1	noname	-0.0604
17	C14     4.8150    -3.3096     1.3541	C.2	1	noname	-0.0395
18	C15     2.8338    -3.3576     2.8253	C.2	1	noname	-0.0395
19	C16     4.0820    -3.8809     2.4340	C.2	1	noname	-0.0563
20	H1     2.2266     0.0981     3.2978	H	1	noname	0.0319
21	H2     1.0837     1.5353    -0.7210	H	1	noname	0.0319
22	H3    -0.8074     3.0630     2.8923	H	1	noname	0.0329
23	H4     3.3994     4.0286     1.9654	H	1	noname	0.0329
24	H5     0.7606    -0.1650     1.1412	H	1	noname	0.0474
25	H6     1.4392     4.0358     3.6186	H	1	noname	0.0605
26	H7    -0.1751     0.7161     3.2208	H	1	noname	0.0274
27	H8     0.7554     1.7724     4.2999	H	1	noname	0.0274
28	H9     3.2462     2.2517     3.7478	H	1	noname	0.0274
29	H10     3.9595     1.5865     2.2735	H	1	noname	0.0274
30	H11    -0.8666     1.6474     0.8312	H	1	noname	0.0274
31	H12    -0.3519     3.2719     0.3865	H	1	noname	0.0274
32	H13     2.0408     3.7672    -0.1325	H	1	noname	0.0274
33	H14     3.2936     2.5092    -0.0036	H	1	noname	0.0274
34	H15     3.4954     0.1956     0.4717	H	1	noname	0.1284
35	H16     1.5540     5.7171     2.1075	H	1	noname	0.2104
36	H17     4.7764    -1.7691    -0.1002	H	1	noname	0.0639
37	H18     1.4284    -1.8551     2.5189	H	1	noname	0.0639
38	H19     5.7009    -3.7167     1.0543	H	1	noname	0.0635
39	H20     2.3036    -3.8049     3.5731	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	19	1
2	2	9	1
3	2	35	1
4	3	8	1
5	3	14	1
6	3	34	1
7	4	8	1
8	4	10	1
9	4	11	1
10	4	21	1
11	5	8	1
12	5	12	1
13	5	13	1
14	5	20	1
15	6	9	1
16	6	10	1
17	6	12	1
18	6	23	1
19	7	9	1
20	7	11	1
21	7	13	1
22	7	22	1
23	8	24	1
24	9	25	1
25	10	32	1
26	10	33	1
27	11	30	1
28	11	31	1
29	12	28	1
30	12	29	1
31	13	26	1
32	13	27	1
33	14	15	2
34	14	16	1
35	15	17	1
36	15	36	1
37	16	18	2
38	16	37	1
39	17	19	2
40	17	38	1
41	18	19	1
42	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1