BA86IS -OEChem-04012119212D 68 71 0 0 0 0 0 0 0999 V2000 9.8583 5.0228 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 4.0429 6.8427 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 7.6478 6.9121 0.0000 N 0 0 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 5.0088 7.1015 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 5.2676 8.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2335 8.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 8.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4924 9.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8193 9.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7852 9.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9406 7.6192 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 3.8381 5.2592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 5.8228 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 5.0628 6.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6264 7.0475 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 3.9616 8.6141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0912 9.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 10.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9457 10.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 52 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 35 3 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 12 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 16 21 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 24 2 0 0 0 0 20 55 1 0 0 0 0 21 25 2 0 0 0 0 21 56 1 0 0 0 0 22 27 2 0 0 0 0 22 57 1 0 0 0 0 23 28 2 0 0 0 0 23 58 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 60 1 0 0 0 0 26 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 28 64 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 35 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 34 2 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$