BDJQ81 -OEChem-04022117333D 40 41 0 1 0 0 0 0 0999 V2000 -2.8678 2.2102 -0.8147 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5733 -3.0819 0.3735 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -0.1478 -0.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -0.5518 -0.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 2.6180 1.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 0.7327 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -0.2097 1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 1.3882 -0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 1.7910 0.5829 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1802 -1.2270 0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 0.3381 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 1.1772 1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3508 0.3399 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5946 -0.7283 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -1.6930 0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 0.9138 -0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5324 -1.0099 0.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3988 -1.7859 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 0.1379 -1.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -1.2117 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 0.1333 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7758 0.3530 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -0.7708 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3592 1.9980 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 2.0502 -0.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 2.4485 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 -1.8531 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 -1.8907 -0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 0.8314 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1907 -0.2843 -2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 0.6077 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.9875 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 3.2402 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0274 3.2324 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1241 -1.7577 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7034 -1.3398 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6337 -2.6909 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -1.4717 1.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4356 0.5851 -2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7586 -1.8161 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 1 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$