LJAR13 -OEChem-05032301092D 103105 0 1 0 0 0 0 0999 V2000 6.6666 0.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -0.5711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 3.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -4.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 1.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9577 2.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -1.4371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3139 1.0661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -2.3032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.1692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 4.4851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3213 3.2955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -0.9371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7714 -1.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -1.9371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9538 -0.6281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9538 -2.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2714 -2.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2714 -0.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6448 0.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -1.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -2.3032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3660 -3.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0049 2.0172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0268 2.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -2.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6740 2.7603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7177 3.1761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3660 -3.1692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6522 2.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3055 3.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 3.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 4.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2995 3.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9686 3.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9467 3.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6159 4.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5940 4.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 4.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 -0.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2505 -2.7137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3414 -0.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4169 -2.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -2.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 -2.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 -2.8401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -1.9932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8083 -0.8811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5814 -0.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7345 -0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9204 0.9372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6114 1.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -1.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4128 2.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0051 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -4.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -4.5721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -3.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -3.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -3.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -4.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -3.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7690 -2.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 3.2210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 2.7377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 3.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7663 4.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 4.1721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -2.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 5.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4656 5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 4.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1297 3.8852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0672 2.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8253 2.7591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -4.5912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -5.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -5.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -5.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -3.9983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2009 4.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4428 4.1593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7145 3.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4725 3.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8481 4.9408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0901 4.6945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3618 3.5832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1198 3.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7239 4.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6780 5.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8024 5.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 29 3 1 1 0 0 0 3 76 1 0 0 0 0 4 31 2 0 0 0 0 5 32 2 0 0 0 0 6 34 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 20 1 0 0 0 0 24 8 1 1 0 0 0 8 58 1 0 0 0 0 22 9 1 6 0 0 0 9 31 1 0 0 0 0 9 60 1 0 0 0 0 10 31 1 0 0 0 0 10 36 1 0 0 0 0 10 77 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 80 1 0 0 0 0 12 32 1 0 0 0 0 12 37 1 0 0 0 0 12 81 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 6 0 0 0 16 20 1 6 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 57 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 30 25 1 1 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 32 1 0 0 0 0 29 72 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 30 73 1 0 0 0 0 33 35 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 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 41 42 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 43 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 44 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 44 45 1 0 0 0 0 44 99 1 0 0 0 0 44100 1 0 0 0 0 45101 1 0 0 0 0 45102 1 0 0 0 0 45103 1 0 0 0 0 M END $$$$