BUID02 -OEChem-04012115302D 103105 0 1 0 0 0 0 0999 V2000 6.7670 -7.0979 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2615 -3.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3465 -0.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8422 -3.7195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2579 0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 -2.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 -0.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6146 3.3728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6523 -1.3402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8567 1.0502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1377 -2.1373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0322 2.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8011 5.1998 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4171 1.3366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 6.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 -2.3183 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2670 -3.2319 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6034 -1.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1876 0.3071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2740 0.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4694 -2.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3567 1.9163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 -0.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9467 -2.7251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8512 0.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 1.7547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2241 -2.5440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4335 1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 -4.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9009 -4.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1196 -3.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8402 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -3.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6330 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9009 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 -1.9562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8348 0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 -6.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6200 3.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2133 4.3908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1015 -4.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -3.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 1.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 4.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8120 5.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8175 5.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4108 6.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 -3.7519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -1.1476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1426 -1.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 0.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6676 0.8427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0824 0.1242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0627 -1.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -2.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 -1.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3137 2.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7585 1.7084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9231 2.1684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1651 2.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8034 2.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 -1.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2889 -1.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0351 1.8002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3903 2.2687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1699 -4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -4.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 -4.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 -3.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4156 2.7331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2387 0.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 0.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6396 -4.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1699 -5.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 -5.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6639 0.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3920 0.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9611 4.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 -4.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 -5.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 -5.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7615 -2.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 -2.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0326 -3.8590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5934 2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8653 1.7129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 4.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 3.8769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 5.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7688 6.0274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 5.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 5.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2159 5.3634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8608 4.8949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7815 1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6692 0.7702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0124 6.5770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3675 7.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 7.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 6.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 27 2 0 0 0 0 6 38 1 0 0 0 0 6 93 1 0 0 0 0 7 38 2 0 0 0 0 8 41 2 0 0 0 0 9 16 1 0 0 0 0 9 24 1 0 0 0 0 9 56 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 10 27 1 0 0 0 0 11 25 1 0 0 0 0 29 11 1 1 0 0 0 11 64 1 0 0 0 0 28 12 1 1 0 0 0 12 41 1 0 0 0 0 12 72 1 0 0 0 0 42 13 1 6 0 0 0 13 94 1 0 0 0 0 13 95 1 0 0 0 0 14 45 1 0 0 0 0 14 98 1 0 0 0 0 14 99 1 0 0 0 0 15 49 1 0 0 0 0 15102 1 0 0 0 0 15103 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 50 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 6 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 38 1 0 0 0 0 29 65 1 0 0 0 0 30 34 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 36 1 0 0 0 0 31 68 1 0 0 0 0 32 37 2 0 0 0 0 32 69 1 0 0 0 0 33 35 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 34 39 1 0 0 0 0 34 73 1 0 0 0 0 34 74 1 0 0 0 0 35 43 1 0 0 0 0 35 44 1 0 0 0 0 35 75 1 0 0 0 0 36 40 2 0 0 0 0 36 76 1 0 0 0 0 37 40 1 0 0 0 0 37 77 1 0 0 0 0 39 45 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 41 42 1 0 0 0 0 42 46 1 0 0 0 0 42 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 46 47 1 0 0 0 0 46 89 1 0 0 0 0 46 90 1 0 0 0 0 47 48 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 48 49 1 0 0 0 0 48 96 1 0 0 0 0 48 97 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 M END $$$$