B3MXY2 -OEChem-04012114372D 44 46 0 1 0 0 0 0 0999 V2000 2.9454 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4254 6.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1904 8.6122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 3.8385 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7862 5.8657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2710 6.7879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0034 5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 5.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7309 7.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8117 5.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 5.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1969 4.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0034 4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7311 7.7239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7862 3.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2716 6.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 3.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 3.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 7.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3669 5.7808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 6.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 8.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 7.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 5.4825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 4.3541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6817 5.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3965 8.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 3.2291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 3.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8909 6.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 3.1193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8135 2.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6751 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8381 3.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8097 8.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 5.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 7 1 0 0 0 0 2 12 1 0 0 0 0 15 3 1 1 0 0 0 3 40 1 0 0 0 0 4 18 1 0 0 0 0 4 22 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 6 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 6 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 11 28 1 0 0 0 0 12 18 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$