B5ORA4 -OEChem-04022107273D 42 42 0 0 0 0 0 0 0999 V2000 3.4870 3.4500 0.3086 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 -2.4492 -0.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -1.6518 -0.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 0.0979 -0.0443 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 0.1037 0.7420 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 1.0958 -0.1134 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 0.4641 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 0.4843 1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 0.7250 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 -0.2211 0.8827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2820 0.0466 1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 0.3197 -2.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1672 -0.6503 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 -0.1983 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5943 -1.1198 -0.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8367 1.1495 0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 -0.6759 -0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 0.6808 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 1.5934 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -3.2444 0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 1.5523 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5288 0.1318 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 0.1152 1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 -1.3098 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3039 -0.0357 2.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 1.5625 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1803 0.3766 -1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 1.8188 -1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 0.8840 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 0.1173 2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4322 -0.9947 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9805 0.6848 0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3678 0.5728 -3.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 -0.7593 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 0.8539 -2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0403 1.8806 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7223 -1.3929 -0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2881 0.4177 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7748 2.0751 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 -3.2652 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0182 -4.2648 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -2.8644 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 29 1 0 0 0 0 6 18 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$