BN1PK4 -OEChem-04022105273D 51 54 0 1 0 0 0 0 0999 V2000 -2.7666 0.8379 1.1210 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 0.6379 -0.3400 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6248 -2.0220 -1.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 -2.6779 1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 -0.7357 -0.7501 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5045 -0.3534 -1.1891 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6716 0.9261 -0.5827 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1887 -0.9785 0.5053 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1821 -0.2192 0.5757 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4437 0.6413 0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 -1.3899 1.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 0.4295 -0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 1.7261 -0.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5551 0.3402 1.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5123 -1.5944 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 2.5098 -0.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7055 1.1238 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 2.2087 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 -1.9915 -2.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3131 0.2126 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -0.7902 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 -1.6144 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7808 -1.1330 0.7047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9135 -0.3305 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 0.0872 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1853 -0.6877 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2496 1.4445 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6159 -0.5367 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3727 2.1781 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7390 0.1970 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6174 1.5544 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 -1.9721 1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0482 -2.0974 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 -1.0503 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6347 1.9767 -1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 -0.4923 1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6648 3.3532 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5714 0.8898 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6407 2.8186 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -2.5317 -2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7038 -1.1042 -3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 -2.6487 -3.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 -1.3968 0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 -2.0592 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 0.5824 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3928 -1.6198 1.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3075 1.9792 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7293 -1.5939 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 3.2363 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7083 -0.2885 -0.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4921 2.1258 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 7 20 2 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 M END $$$$