D01RKI -OEChem-10101305022D 100108 0 1 0 0 0 0 0999 V2000 2.0000 5.1929 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2896 2.9173 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8629 -5.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1120 2.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7206 2.0949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8585 3.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -2.4402 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.7930 -3.3132 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.5302 0.0969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9908 1.1936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 -2.2731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2566 -1.7732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9886 -1.7732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9134 -3.2450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9247 -3.3480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2566 -0.7731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6294 -3.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0301 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9886 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 -0.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4359 -2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5628 -4.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 -2.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6983 0.1246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6914 -2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -2.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 -4.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4886 0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5017 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1013 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -4.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2890 -2.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9713 0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4889 0.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4535 -1.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4612 1.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1484 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4414 0.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0406 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5025 1.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7836 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8748 2.1868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8964 3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0159 2.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0514 4.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1048 3.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4672 3.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 4.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5633 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 5.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 3.6273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 4.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -1.3482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1537 -2.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -3.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5298 -3.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4517 -4.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0374 -3.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6884 -3.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 -1.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9247 -1.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8577 -2.9875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 -2.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6739 -4.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 -4.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8861 -1.5276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 -1.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 0.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 -0.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7475 -3.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2952 -2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4144 -1.8331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -2.3748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 -5.3516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9706 -5.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3905 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 1.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7438 0.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6017 -3.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 -3.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6212 -2.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7186 -1.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8376 1.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9883 -1.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8351 -1.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7675 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6190 -0.4528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 0.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 1.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6605 1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8000 2.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4628 3.8917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 4.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 4.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 4.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 2.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7768 5.6697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 3.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 48 1 0 0 0 0 17 3 1 1 0 0 0 3 78 1 0 0 0 0 4 32 2 0 0 0 0 5 45 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 29 2 0 0 0 0 10 40 1 0 0 0 0 11 34 1 0 0 0 0 11 43 1 0 0 0 0 11 90 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 54 1 6 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 55 1 0 0 0 0 15 16 1 0 0 0 0 15 56 1 0 0 0 0 15 57 1 0 0 0 0 16 23 1 0 0 0 0 16 58 1 1 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 22 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 21 2 0 0 0 0 20 29 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 28 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 27 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 25 30 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 33 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 31 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 28 32 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 32 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 33 36 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 37 2 0 0 0 0 35 39 2 0 0 0 0 35 85 1 0 0 0 0 36 38 1 0 0 0 0 36 86 1 0 0 0 0 36 87 1 0 0 0 0 37 41 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 91 1 0 0 0 0 40 41 2 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 2 0 0 0 0 44 94 1 0 0 0 0 45 47 2 0 0 0 0 46 47 1 0 0 0 0 46 95 1 0 0 0 0 47 96 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 49 97 1 0 0 0 0 50 52 2 0 0 0 0 50 98 1 0 0 0 0 51 53 2 0 0 0 0 51 99 1 0 0 0 0 52 53 1 0 0 0 0 52100 1 0 0 0 0 M END $$$$