B1LCQ6 -OEChem-04022109542D 95 97 0 1 0 0 0 0 0999 V2000 7.2362 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 14.9846 13.0324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 9.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0813 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5891 7.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 6.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 4.6730 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.7775 11.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9090 12.0471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0015 11.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9987 10.4941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7530 12.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 13.7018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7987 10.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7550 13.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7065 11.9214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9033 9.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0660 9.9397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4315 13.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 12.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9965 12.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6621 12.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1237 10.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1266 11.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7191 14.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5736 9.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5737 9.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0814 8.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0814 8.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 7.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 6.4315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6046 5.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 3.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 5.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9827 4.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 5.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 3.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 6.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9915 3.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1707 12.4684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 9.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3788 13.2271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1673 12.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0197 9.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4073 10.6285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4032 13.5457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 12.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8020 11.3088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3250 11.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5084 9.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3067 9.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6113 14.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 14.0789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4778 12.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6796 12.5752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2452 12.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4516 13.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0789 12.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5131 10.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9130 9.8944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 12.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 11.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3124 14.4791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8989 15.2522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1257 14.8387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0395 8.7634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8884 8.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 9.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 7.5785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 7.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1837 8.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 8.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6914 7.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 7.5088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9946 5.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 6.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 6.1549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0201 5.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 3.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 5.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 4.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5942 4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1896 4.7652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5023 4.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1890 5.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 4.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 3.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 6.1708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 6.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 6.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 3.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 2.5608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 3.1862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 2 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 27 2 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 6 36 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 1 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 40 1 1 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 6 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 1 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 1 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 21 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 23 1 0 0 0 0 18 26 1 1 0 0 0 18 27 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 24 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 28 29 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 31 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 36 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 33 37 1 0 0 0 0 33 79 1 0 0 0 0 33 80 1 0 0 0 0 34 38 1 0 0 0 0 34 81 1 0 0 0 0 34 82 1 0 0 0 0 35 39 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 85 1 0 0 0 0 36 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 38 91 1 0 0 0 0 38 92 1 0 0 0 0 39 93 1 0 0 0 0 39 94 1 0 0 0 0 39 95 1 0 0 0 0 M CHG 2 1 -1 7 1 M END $$$$