BUE50B -OEChem-04022101533D 45 47 0 0 0 0 0 0 0999 V2000 4.3175 2.8051 0.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 1.1471 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1927 -0.9325 -0.7156 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.5548 0.5395 -2.2141 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 0.6335 0.4856 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6986 -0.1499 -1.0872 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0287 0.6776 1.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.5448 0.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3324 -0.1527 -1.1914 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6729 -0.7402 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3398 1.0378 1.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7809 -1.0951 -0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3744 1.5990 0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 1.0976 -0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -1.7444 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9943 -2.4412 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 0.9829 0.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0175 -3.0812 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 -3.4303 -0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5076 2.1199 -1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 0.1505 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 0.2577 1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -0.7097 1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8547 0.9103 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0683 -0.0504 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2064 0.0246 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7987 -0.8101 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 0.8098 -1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.4187 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 2.0749 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9244 -1.5298 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8519 -2.7254 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3313 -3.8486 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 -4.4694 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9658 2.6376 -0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2948 1.6380 -1.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9889 2.8444 -1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 0.5262 2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3701 -1.3388 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1162 1.5931 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -0.9255 3.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1956 0.0137 3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6574 0.8380 3.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5295 -1.4956 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2721 1.4180 -1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 22 2 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 1 0 0 0 0 16 32 1 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 39 1 0 0 0 0 24 28 2 0 0 0 0 24 40 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 3 -1 9 1 M END $$$$