LKQH80 -OEChem-05032301463D 48 50 0 0 0 0 0 0 0999 V2000 2.0560 2.9519 2.4553 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.6840 1.0510 -0.2212 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 1.2818 0.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 -0.9271 -1.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 2.2594 0.0898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6671 3.1563 -1.1458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6955 -2.4078 1.5355 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.4673 2.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -1.4555 -1.3007 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 -2.3297 1.5055 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6127 0.4913 -0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7757 -0.2556 -1.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0223 1.2370 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0021 0.4356 -0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5805 -2.9674 -0.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 1.9269 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 -1.6941 -1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8013 1.1256 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2108 1.8711 0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 -3.2521 0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 -3.8886 -1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4054 2.3039 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 2.3209 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -4.4582 1.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7079 -5.0948 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -5.3796 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2165 2.7871 -1.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 1.8054 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 2.2739 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6041 2.7722 -1.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 1.7905 0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0573 1.7362 1.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.3903 -2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 -0.5752 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -2.1603 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4629 -0.1475 -1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 2.4086 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5319 -3.6801 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4705 -4.6944 2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 -5.8124 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7316 -6.3187 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 3.1757 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 1.4343 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2308 3.1492 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 1.3922 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 2.3396 2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 0.6773 1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1486 1.8005 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 23 1 0 0 0 0 4 17 2 0 0 0 0 5 29 1 0 0 0 0 5 32 1 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 8 10 2 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 9 35 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 16 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 19 2 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 30 1 0 0 0 0 27 42 1 0 0 0 0 28 31 2 0 0 0 0 28 43 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 44 1 0 0 0 0 31 45 1 0 0 0 0 32 46 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 M CHG 2 7 -1 10 1 M END $$$$