BJNW78 -OEChem-04012120112D 135139 0 1 0 0 0 0 0999 V2000 5.4377 5.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7720 6.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 2.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 1.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1036 0.0301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4166 -3.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5359 -4.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4584 -4.4135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9810 -2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5295 -8.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8489 -8.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 4.6097 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 3.0844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 0.4491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6198 -1.9105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8553 -4.5457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3714 -6.4863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 7.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5413 7.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6814 8.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1612 6.3577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4180 9.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 7.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 6.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6753 7.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0413 6.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3322 5.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 4.5400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5521 3.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1112 2.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 3.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5448 3.8504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6729 1.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0747 4.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0450 4.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1147 3.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 1.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9456 2.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7937 0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6650 1.4194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3578 -0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6262 1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3456 1.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 2.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1424 -0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 -1.2158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9392 -1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6973 -2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2198 -0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3779 -2.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0972 -3.5754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0585 -3.2998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7778 -3.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5746 -5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3327 -6.2107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7391 -3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0520 -6.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8101 -7.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4312 5.3690 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 6.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 9.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1002 9.7042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0312 9.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7197 8.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 7.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6950 7.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3653 7.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 8.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9853 8.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5782 6.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 5.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 6.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 5.2845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8182 5.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 6.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 5.0972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1061 3.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0505 4.0056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2598 5.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5572 3.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6128 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3025 3.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5174 4.9703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2867 5.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 5.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6646 4.4349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7253 3.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2856 2.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 2.3576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8506 1.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6185 0.9015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1404 -0.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 0.9887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0860 -1.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1802 2.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 0.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 -2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -1.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4034 -1.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 -0.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7762 1.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7915 0.5697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9149 0.5544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2666 2.8154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0181 3.2669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4697 2.5154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7505 -1.8174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3432 -1.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2158 -1.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2989 -2.6117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5473 -3.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 -2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7892 -1.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 -0.3661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6505 -0.3508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5432 -4.0061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7867 -2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2593 -4.7166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0496 -4.5517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2762 -4.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1827 -6.8123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3987 -6.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6184 -7.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2215 -7.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9255 -6.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0544 -4.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3795 -9.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 64 1 0 0 0 0 2 24 1 0 0 0 0 2 64 1 0 0 0 0 3 31 2 0 0 0 0 4 39 2 0 0 0 0 5 50 2 0 0 0 0 6 55 2 0 0 0 0 7 59 2 0 0 0 0 8 61 1 0 0 0 0 8134 1 0 0 0 0 9 61 2 0 0 0 0 10 63 1 0 0 0 0 10135 1 0 0 0 0 11 63 2 0 0 0 0 28 12 1 1 0 0 0 12 31 1 0 0 0 0 12 84 1 0 0 0 0 13 32 1 0 0 0 0 13 36 1 0 0 0 0 13 39 1 0 0 0 0 43 14 1 6 0 0 0 14 50 1 0 0 0 0 14101 1 0 0 0 0 51 15 1 1 0 0 0 15 55 1 0 0 0 0 15116 1 0 0 0 0 56 16 1 6 0 0 0 16 59 1 0 0 0 0 16126 1 0 0 0 0 60 17 1 6 0 0 0 17132 1 0 0 0 0 17133 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 65 1 1 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 66 1 6 0 0 0 21 24 1 0 0 0 0 21 27 1 6 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 23 24 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 71 1 6 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 25 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 27 79 1 0 0 0 0 27 80 1 0 0 0 0 28 29 1 0 0 0 0 28 64 1 0 0 0 0 28 81 1 0 0 0 0 29 30 1 0 0 0 0 29 82 1 0 0 0 0 29 83 1 0 0 0 0 30 33 1 0 0 0 0 30 85 1 0 0 0 0 30 86 1 0 0 0 0 32 31 1 1 0 0 0 32 34 1 0 0 0 0 32 87 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 88 1 0 0 0 0 34 89 1 0 0 0 0 35 36 1 0 0 0 0 35 90 1 0 0 0 0 35 91 1 0 0 0 0 36 92 1 0 0 0 0 36 93 1 0 0 0 0 37 40 1 0 0 0 0 37 94 1 0 0 0 0 38 41 2 0 0 0 0 38 95 1 0 0 0 0 39 43 1 0 0 0 0 40 42 2 0 0 0 0 40 96 1 0 0 0 0 41 42 1 0 0 0 0 41 97 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43 98 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 44 99 1 0 0 0 0 45 48 1 0 0 0 0 45 49 1 0 0 0 0 45100 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 46104 1 0 0 0 0 47105 1 0 0 0 0 47106 1 0 0 0 0 47107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 48110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 49113 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51114 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52115 1 0 0 0 0 53117 1 0 0 0 0 53118 1 0 0 0 0 53119 1 0 0 0 0 54120 1 0 0 0 0 54121 1 0 0 0 0 54122 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56123 1 0 0 0 0 57 58 1 0 0 0 0 57124 1 0 0 0 0 57125 1 0 0 0 0 58 61 1 0 0 0 0 58127 1 0 0 0 0 58128 1 0 0 0 0 59 60 1 0 0 0 0 60 62 1 0 0 0 0 60129 1 0 0 0 0 62 63 1 0 0 0 0 62130 1 0 0 0 0 62131 1 0 0 0 0 M END $$$$