B9F0DI
-OEChem-04022109332D
44 48 0 0 0 0 0 0 0999 V2000
4.6701 -4.0352 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
11.8524 1.4796 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7.2392 0.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 1.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 0.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7392 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7392 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0482 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9993 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 3.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2072 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7424 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1582 1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6935 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9014 1.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5345 2.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 1.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 4.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 4.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7464 1.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6135 -0.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2871 2.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1542 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 30 1 0 0 0 0
3 13 1 0 0 0 0
3 18 1 0 0 0 0
4 5 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
5 9 2 0 0 0 0
6 7 1 0 0 0 0
6 13 2 0 0 0 0
7 18 2 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
8 13 1 0 0 0 0
9 11 1 0 0 0 0
10 31 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
14 20 1 0 0 0 0
14 32 1 0 0 0 0
15 21 2 0 0 0 0
15 33 1 0 0 0 0
16 22 1 0 0 0 0
16 34 1 0 0 0 0
17 23 2 0 0 0 0
17 35 1 0 0 0 0
18 19 1 0 0 0 0
19 26 2 0 0 0 0
19 27 1 0 0 0 0
20 24 2 0 0 0 0
20 36 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 25 2 0 0 0 0
22 38 1 0 0 0 0
23 25 1 0 0 0 0
23 39 1 0 0 0 0
25 40 1 0 0 0 0
26 28 1 0 0 0 0
26 41 1 0 0 0 0
27 29 2 0 0 0 0
27 42 1 0 0 0 0
28 30 2 0 0 0 0
28 43 1 0 0 0 0
29 30 1 0 0 0 0
29 44 1 0 0 0 0
M END
$$$$