BXKU70 -OEChem-04012115353D 100105 0 1 0 0 0 0 0999 V2000 -2.3349 1.7020 -2.4859 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5207 0.3714 -1.8799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4906 -2.1549 0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -3.8713 0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 7.0248 0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4729 -7.4835 -0.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2468 2.0105 -0.7655 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.3475 1.0425 -0.4739 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3388 -0.9258 -0.3358 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -0.3625 0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9726 -2.1709 -0.5076 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5065 1.2618 -0.8758 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4858 2.3222 -1.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 1.1527 -0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2258 1.9642 -0.5407 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6461 -1.1990 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 2.8468 -1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6233 3.3608 -2.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9659 0.6534 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 -1.1408 0.3607 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4113 -1.8800 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 0.2121 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7984 -2.1636 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4178 -0.5834 1.8437 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7124 -1.3999 1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8258 -0.3746 2.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2152 2.9014 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3873 0.0633 0.2617 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1194 -2.0037 -0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 1.0336 -1.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5072 0.1177 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 -0.7616 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9607 -0.0365 1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2463 4.0023 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -1.6968 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 -3.4606 -0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 0.8500 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7536 -2.6864 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 5.2204 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5293 3.8000 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -4.2594 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3704 -4.0138 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7449 0.7705 3.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8676 6.2363 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 4.8158 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 -5.6114 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 -5.3658 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 6.0339 0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -6.1645 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4086 0.4813 -1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 1.8886 -2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 2.8169 -0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0012 0.4820 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1879 0.5055 0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 2.5669 -1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0146 -0.4175 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5047 3.6877 -1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 2.2650 -2.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 3.4858 -3.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7302 4.3324 -1.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1329 0.1585 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3435 1.4095 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2885 -1.6363 1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 -2.3284 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -2.6782 0.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5136 0.0736 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 0.7319 1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4391 -3.0785 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3162 -2.4549 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8585 0.3564 1.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8667 -1.2731 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2004 -2.0759 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5023 -0.8843 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1767 0.6387 2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8529 -0.4943 3.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7611 3.3928 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3413 2.3618 1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4338 1.1070 -0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -1.8850 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 -1.6898 -1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 -0.5577 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2546 -0.5616 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2048 0.2919 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 -1.0733 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7403 -2.8131 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9762 0.5516 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 1.8925 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 5.3902 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8041 2.8645 1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -3.8398 1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -3.4091 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0017 1.0990 3.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6251 1.4137 3.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 -0.2532 3.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 7.1828 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4766 4.6463 1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 -6.2284 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -5.7853 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9095 6.7132 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1008 -7.6952 -0.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 31 2 0 0 0 0 3 35 2 0 0 0 0 4 38 2 0 0 0 0 5 48 1 0 0 0 0 5 99 1 0 0 0 0 6 49 1 0 0 0 0 6100 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 30 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 31 1 0 0 0 0 10 19 1 0 0 0 0 10 28 1 0 0 0 0 10 35 1 0 0 0 0 11 32 1 0 0 0 0 11 38 1 0 0 0 0 11 85 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 12 50 1 0 0 0 0 13 18 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 15 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 27 1 0 0 0 0 15 55 1 0 0 0 0 16 21 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 56 1 0 0 0 0 17 18 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 25 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 26 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 25 26 1 0 0 0 0 25 72 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 27 34 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 0 0 0 0 28 78 1 0 0 0 0 29 36 1 0 0 0 0 29 79 1 0 0 0 0 29 80 1 0 0 0 0 30 31 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 37 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 34 39 2 0 0 0 0 34 40 1 0 0 0 0 35 38 1 0 0 0 0 36 41 2 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 39 44 1 0 0 0 0 39 88 1 0 0 0 0 40 45 2 0 0 0 0 40 89 1 0 0 0 0 41 46 1 0 0 0 0 41 90 1 0 0 0 0 42 47 2 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 48 2 0 0 0 0 44 95 1 0 0 0 0 45 48 1 0 0 0 0 45 96 1 0 0 0 0 46 49 2 0 0 0 0 46 97 1 0 0 0 0 47 49 1 0 0 0 0 47 98 1 0 0 0 0 M END $$$$