B5PXN9 -OEChem-04012113432D 53 55 0 0 0 0 0 0 0999 V2000 8.2830 2.9940 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 3.7147 3.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 4.6520 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3005 3.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6994 3.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3227 5.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 4.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1887 6.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5858 4.0338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 2.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8181 5.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 5.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4559 1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 2.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3878 1.8237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 0.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 1.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8862 0.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5045 2.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2934 2.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 6.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7798 5.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3494 2.8708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1622 2.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 3.9654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 4.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 6.2152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9255 6.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 4.6226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 6.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2005 5.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9445 5.2779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 6.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 6.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 3.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 1.1455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1741 3.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 1.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0286 1.9841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5674 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 0.4193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 2 43 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 22 2 0 0 0 0 18 46 1 0 0 0 0 19 23 2 0 0 0 0 19 47 1 0 0 0 0 20 24 2 0 0 0 0 20 48 1 0 0 0 0 21 25 2 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 M CHG 2 1 -1 3 1 M END $$$$