BR1IA2 -OEChem-04022106022D 92 96 0 1 0 0 0 0 0999 V2000 11.1223 0.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0707 -1.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0491 -0.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8282 2.6453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -1.2874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6610 -0.7874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.7874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7510 -1.2943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7430 -2.3359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2870 0.7472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6451 -2.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 0.2334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2870 -1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1931 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1698 -2.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7352 -1.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 0.7686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1931 2.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -1.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1369 1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3109 -3.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0629 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 3.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6831 3.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4680 1.8768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4535 2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0933 1.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7991 2.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1593 3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.3624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7463 -3.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -2.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0165 1.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -3.3327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -3.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8824 -1.7919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6806 -1.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 0.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4022 -1.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8040 -0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 -2.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5684 -2.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6448 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1526 -1.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 -2.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3178 -1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0394 2.4106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6537 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.3257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 0.1848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6718 -0.6729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2647 -1.3595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7477 1.7475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3459 2.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7728 -3.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -4.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -4.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7752 -4.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -4.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8466 -3.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2235 2.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9868 3.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1426 3.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2164 3.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3669 3.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1498 2.9328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6100 -1.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6168 0.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4900 0.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5698 1.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4101 3.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6357 4.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7626 4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6828 3.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26 1 1 1 0 0 0 1 36 1 0 0 0 0 2 30 2 0 0 0 0 3 33 1 0 0 0 0 3 85 1 0 0 0 0 4 33 2 0 0 0 0 5 36 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 1 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 41 1 6 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 6 0 0 0 9 10 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 1 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 42 1 6 0 0 0 11 14 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 22 2 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 13 45 1 1 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 15 26 1 0 0 0 0 15 33 1 1 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 28 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 27 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 29 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 27 35 1 0 0 0 0 28 30 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 31 73 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 34 79 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 35 84 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 39 40 1 0 0 0 0 39 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 M END $$$$