BD27MZ -OEChem-04022116363D 50 52 0 0 0 0 0 0 0999 V2000 -4.8768 -2.9186 0.1497 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 1.8370 0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 2.1211 0.7298 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8601 -3.6222 1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1485 -2.6089 -0.4881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6757 2.7471 -0.9723 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1626 1.9904 -2.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1486 -0.8000 -0.4548 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8011 1.9089 -1.2953 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6486 -2.0154 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -0.8606 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 -3.0775 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -2.3190 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 0.4082 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 0.6605 -0.4271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 1.9075 0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 1.2606 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 2.6262 1.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9809 -1.4293 0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 2.0511 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5486 0.9502 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 1.3322 -0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 2.6982 1.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 0.8297 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -0.3600 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0055 -1.3086 1.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -0.1190 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -3.8897 -0.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 -1.9440 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6275 -2.2653 -0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9114 -0.6164 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 -0.1877 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.8436 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -3.5768 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1740 -2.4534 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7585 -2.6789 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5684 0.3852 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1949 1.2780 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2242 0.8021 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5553 -0.2086 -0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 0.7177 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 3.1317 2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 0.8376 -1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0732 3.2591 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9937 -0.4487 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 -2.1299 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 -0.0390 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9269 -4.0636 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 -3.3536 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 -4.8418 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 22 1 0 0 0 0 17 41 1 0 0 0 0 18 23 2 0 0 0 0 18 42 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 2 6 -1 9 1 M END $$$$