B2E3IK -OEChem-04012112543D 44 48 0 1 0 0 0 0 0999 V2000 5.2446 -0.4437 1.3997 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.0611 -1.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 0.3782 -3.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0524 -2.9253 -0.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 5.5622 0.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1631 -0.0102 -0.3085 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8362 -0.6917 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 -0.8097 0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -0.7946 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 1.5031 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 -0.4093 -1.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1376 -1.3363 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 -1.1310 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 0.0321 -2.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7277 -1.7688 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5823 -0.3569 0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 -1.9378 -1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 2.2682 -0.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 2.0968 1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 -1.6724 2.7908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9569 -0.4905 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4853 -1.4165 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 -0.9880 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -1.0656 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 -2.6465 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 3.6332 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0536 3.4620 1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -2.2104 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6958 4.2302 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -1.0338 2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4456 -2.1810 3.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5082 0.5182 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -2.3059 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5599 1.8223 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8205 1.5530 1.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0847 -2.0023 3.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 -0.1851 -2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2323 -1.8125 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 -1.0542 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.5392 -1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 4.2265 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5095 3.9159 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 -2.4924 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 5.8055 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 28 1 0 0 0 0 4 43 1 0 0 0 0 5 29 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 20 1 0 0 0 0 13 30 1 0 0 0 0 15 20 2 0 0 0 0 15 31 1 0 0 0 0 16 24 1 0 0 0 0 16 32 1 0 0 0 0 17 25 2 0 0 0 0 17 33 1 0 0 0 0 18 26 1 0 0 0 0 18 34 1 0 0 0 0 19 27 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 28 2 0 0 0 0 25 28 1 0 0 0 0 25 40 1 0 0 0 0 26 29 2 0 0 0 0 26 41 1 0 0 0 0 27 29 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$