BQK9T2 -OEChem-04022115583D 49 52 0 1 0 0 0 0 0999 V2000 -8.4367 -0.2923 -0.9008 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 -0.8670 1.3834 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8587 -3.5539 1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 1.0032 0.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8027 0.1607 -0.4629 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 -2.6288 -0.1203 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 0.2340 0.2968 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9731 2.8983 1.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9248 -1.3702 -0.7355 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7928 -1.2326 0.3679 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5841 -0.6622 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 0.8313 0.2571 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8972 -0.6796 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -1.2400 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 0.4128 -1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -2.6270 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8499 1.2619 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9302 1.5090 -2.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 0.1044 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5584 -0.8052 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3607 1.4842 0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8921 -0.1343 -0.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 1.1803 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 1.9870 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1145 -0.6508 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8841 2.0066 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2370 0.1759 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1227 1.4943 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.5855 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 -0.7039 1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 0.4285 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0969 -0.9204 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3599 0.1226 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -1.9884 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 -1.4905 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2196 -0.5095 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 0.7031 -2.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 -3.4364 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5297 0.4344 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4567 2.1376 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4581 2.4947 -1.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4543 1.4675 -3.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5368 -1.6670 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 -1.0889 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 2.2856 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 1.7142 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2049 -1.6683 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7979 3.0248 0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0086 2.1209 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 16 2 0 0 0 0 4 19 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 24 3 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$