BE2TU3 -OEChem-04022110023D 75 80 0 0 0 0 0 0 0999 V2000 -0.9801 1.5432 -3.0408 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3337 -1.9809 0.8138 P 0 0 0 0 0 0 0 0 0 0 0 0 -5.8844 -2.5136 0.9314 P 0 0 0 0 0 0 0 0 0 0 0 0 7.7891 -1.3993 -1.4797 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9952 0.1965 -0.0140 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 -4.2111 -0.6187 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -4.4118 1.4342 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 -1.2069 2.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 -2.1168 1.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1264 -3.5379 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 -1.6548 -0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6204 -3.2753 0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 -1.6936 2.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 0.9328 0.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 0.0017 1.3997 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 1.3404 -0.5975 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 0.6374 2.5468 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5961 0.5371 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8124 1.0968 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4704 -1.0331 -1.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7712 1.1293 -1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 0.6085 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 -1.6908 -0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 2.1975 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 1.9841 2.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 1.2945 -0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -2.1380 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -0.5254 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 -1.8477 -1.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 3.4628 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 1.8688 -1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 2.0509 -2.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -0.2873 -0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2578 -2.8988 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 0.8467 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2509 -2.7420 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 -0.9732 -1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -2.4516 -1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3558 3.0843 3.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 4.5519 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -0.7669 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 -3.5434 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 2.2024 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 4.3684 2.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 3.2413 -1.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5567 1.4889 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0903 3.5667 -0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7833 1.8141 0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5501 2.8531 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 2.1916 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 0.8258 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6337 -1.2782 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2905 -1.5502 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6089 2.1924 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2666 -2.0773 1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1405 -1.0696 -2.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -1.5225 -2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 3.6257 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2177 2.4291 -3.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 1.3919 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -3.0925 1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3986 -1.8595 -2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 -2.5685 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 2.9515 4.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9887 5.5612 0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 5.2359 3.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 3.8322 -2.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9795 0.6713 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6858 4.3782 -1.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1425 1.2583 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5048 3.1066 0.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8468 -1.6996 3.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2818 -2.7735 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9836 -3.1976 1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9798 -0.9737 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 32 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 12 2 0 0 0 0 2 41 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 2 0 0 0 0 3 42 1 0 0 0 0 4 41 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 0 0 0 0 7 42 1 0 0 0 0 8 72 1 0 0 0 0 9 73 1 0 0 0 0 10 74 1 0 0 0 0 11 75 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 23 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 30 2 0 0 0 0 25 39 2 0 0 0 0 26 35 1 0 0 0 0 26 54 1 0 0 0 0 27 36 1 0 0 0 0 27 55 1 0 0 0 0 28 37 2 0 0 0 0 28 56 1 0 0 0 0 29 38 2 0 0 0 0 29 57 1 0 0 0 0 30 40 1 0 0 0 0 30 58 1 0 0 0 0 31 32 2 0 0 0 0 31 43 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 37 1 0 0 0 0 33 41 1 0 0 0 0 34 36 2 0 0 0 0 34 38 1 0 0 0 0 34 42 1 0 0 0 0 35 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 39 44 1 0 0 0 0 39 64 1 0 0 0 0 40 44 2 0 0 0 0 40 65 1 0 0 0 0 43 45 2 0 0 0 0 43 46 1 0 0 0 0 44 66 1 0 0 0 0 45 47 1 0 0 0 0 45 67 1 0 0 0 0 46 48 2 0 0 0 0 46 68 1 0 0 0 0 47 49 2 0 0 0 0 47 69 1 0 0 0 0 48 49 1 0 0 0 0 48 70 1 0 0 0 0 49 71 1 0 0 0 0 M END $$$$