BT92MQ -OEChem-04012119432D 107110 0 1 0 0 0 0 0999 V2000 11.3112 -5.9987 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9248 3.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4962 2.7627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9862 0.0890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2924 -0.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9093 -0.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0949 1.7446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1059 1.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3682 0.0890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 0.4129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 -1.9987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 2.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -1.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 3.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 4.5626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -3.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3261 4.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 5.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3316 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1450 5.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7438 4.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9139 3.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1505 5.8942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5071 2.5536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5126 2.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1114 1.4310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0894 1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 2.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6772 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7046 0.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5290 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6772 1.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1772 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9413 2.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1772 -1.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2650 1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3034 -0.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -1.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -2.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3088 -0.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9093 -1.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 -1.9987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1772 -3.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -3.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 3.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -1.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 -2.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1772 -4.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4452 -4.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 -1.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3112 -4.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9427 4.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2468 4.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1635 5.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7743 3.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5024 3.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7023 6.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9741 6.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 5.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3131 4.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4279 3.1205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 3.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1938 6.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5489 6.0442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2549 1.9872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8427 1.1782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4703 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0808 2.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3527 2.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9718 1.8637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 1.5395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4985 3.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7704 3.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 0.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -1.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7666 1.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6294 2.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7634 2.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0991 -1.4161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7006 -2.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2601 -1.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9049 -0.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0432 -2.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 -1.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -3.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9082 -3.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9732 0.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 -2.0203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1647 -2.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5632 -3.5814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7142 -4.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9082 -4.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1783 -1.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -0.8787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 0.6009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6554 -2.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7032 -0.8790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 5.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 4.6274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6413 -4.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1783 -3.1887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 53 1 0 0 0 0 2 25 2 0 0 0 0 3 27 2 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 30 2 0 0 0 0 6 41 2 0 0 0 0 24 7 1 6 0 0 0 7 27 1 0 0 0 0 7 69 1 0 0 0 0 8 25 1 0 0 0 0 26 8 1 6 0 0 0 8 70 1 0 0 0 0 9 29 1 0 0 0 0 9 33 2 0 0 0 0 10 30 1 0 0 0 0 10 37 1 0 0 0 0 10 78 1 0 0 0 0 35 11 1 1 0 0 0 11 41 1 0 0 0 0 11 87 1 0 0 0 0 12 34 1 0 0 0 0 12 45 2 0 0 0 0 13 42 1 0 0 0 0 13 97 1 0 0 0 0 13 98 1 0 0 0 0 14 45 1 0 0 0 0 14102 1 0 0 0 0 14103 1 0 0 0 0 15 45 1 0 0 0 0 15104 1 0 0 0 0 15105 1 0 0 0 0 16 48 1 0 0 0 0 16106 1 0 0 0 0 16107 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 55 1 0 0 0 0 18 20 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 21 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 23 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 68 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 71 1 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 32 2 0 0 0 0 31 34 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 32 36 1 0 0 0 0 33 35 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 38 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 40 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 39 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 40 46 2 0 0 0 0 40 47 1 0 0 0 0 41 42 1 0 0 0 0 42 48 1 0 0 0 0 42 88 1 0 0 0 0 43 49 1 0 0 0 0 43 89 1 0 0 0 0 44 50 2 0 0 0 0 44 90 1 0 0 0 0 46 51 1 0 0 0 0 46 91 1 0 0 0 0 47 52 2 0 0 0 0 47 92 1 0 0 0 0 48 93 1 0 0 0 0 48 94 1 0 0 0 0 49 53 2 0 0 0 0 49 95 1 0 0 0 0 50 53 1 0 0 0 0 50 96 1 0 0 0 0 51 54 2 0 0 0 0 51 99 1 0 0 0 0 52 54 1 0 0 0 0 52100 1 0 0 0 0 54101 1 0 0 0 0 M END $$$$