BK94XL -OEChem-04022104063D 71 76 0 1 0 0 0 0 0999 V2000 1.8525 2.1780 -0.9951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 4.3980 -0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4458 4.9599 1.2576 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4046 0.0981 -0.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3952 2.8694 -0.3416 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -0.3621 -0.2991 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 3.0781 -0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 0.6923 0.2117 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1936 0.4929 0.1185 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7249 -0.9118 -1.1886 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3852 -0.5458 0.3918 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0987 2.1005 -0.2675 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1604 3.3438 0.6105 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6939 3.6225 0.8729 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0586 3.2597 -0.4654 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1043 0.8044 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8886 1.6228 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4698 3.7088 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.7735 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2600 -0.4627 0.4647 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0212 0.6317 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -0.9599 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4893 -1.2339 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6668 -0.0306 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6378 -0.4825 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7486 -1.9714 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4510 -1.8943 -1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0309 -0.5420 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 -0.5206 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 -1.8174 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8626 -2.7493 -2.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 -1.9784 1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6703 -2.8908 -0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 -3.2127 1.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -4.1251 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.2860 1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 -3.3846 3.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3492 -5.2724 -0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 2.0985 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 3.2362 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 2.9598 1.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 4.0901 -1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 0.5171 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 0.8593 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 4.1618 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 5.1358 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 4.7637 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 -1.0735 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8195 -2.2508 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6215 -1.3143 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 1.5842 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 0.9133 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1672 -0.8032 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 0.3329 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2778 -1.1324 -2.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5403 -2.6634 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0934 0.5439 0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6066 -0.6961 1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7991 -1.0734 0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 -3.7787 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -2.7762 -2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1316 -2.3764 -3.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -1.1477 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -2.7700 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -5.2484 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7497 -4.1982 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -3.6097 3.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 -2.4759 3.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 -6.2277 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -5.2176 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3497 -5.2705 -1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 45 1 0 0 0 0 3 14 1 0 0 0 0 3 46 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 51 1 0 0 0 0 9 17 2 0 0 0 0 9 28 1 0 0 0 0 10 27 2 0 0 0 0 11 21 1 0 0 0 0 11 28 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 22 26 2 0 0 0 0 22 29 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 M END $$$$