BE9TN6 -OEChem-04022102583D 55 58 0 1 0 0 0 0 0999 V2000 -3.0036 -1.0818 -1.1930 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5672 -3.1409 -1.7093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -0.0237 2.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8929 -1.8326 -0.4617 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 -0.2681 -0.2055 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -1.2567 0.2189 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 1.3509 -1.4124 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 -1.0925 0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -1.8234 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.8955 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 -0.5173 -1.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3103 -2.4725 0.4447 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3034 -2.5173 -0.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -3.7060 0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 0.5151 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0346 -0.1446 1.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 0.9153 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 -3.6924 1.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 0.5593 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3895 0.2491 0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 1.5654 -0.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 2.1620 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 3.0149 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 1.0337 1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8275 2.3500 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 2.5696 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 2.6187 2.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7561 2.0842 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4317 3.4769 -1.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 -1.5930 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -0.1132 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -2.6726 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 -1.9930 -2.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -0.2737 1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -1.8639 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4761 -0.5937 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 0.3166 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -2.4534 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 -3.8387 -0.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5716 -4.5993 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7577 -3.6013 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9453 -2.8683 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -4.6264 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 -0.5708 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 1.8073 -1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2159 4.0073 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2621 0.8249 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9969 3.1700 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 1.9664 3.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 2.6313 2.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8664 3.6350 2.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 2.6951 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9054 4.3961 -1.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 2.9987 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3092 3.7333 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 12 1 0 0 0 0 6 16 1 0 0 0 0 7 19 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 28 2 0 0 0 0 24 47 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END $$$$