B2DGO8 -OEChem-04022109383D 44 46 0 0 0 0 0 0 0999 V2000 4.8205 -0.1898 0.5892 P 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 1.3322 0.7160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 -0.0210 0.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7052 -0.9963 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7064 -0.5872 -1.3140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -2.3199 0.0296 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 -0.8884 -0.3102 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 -0.2457 -0.8578 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -1.8594 0.7745 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 -3.5336 1.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 0.4638 -2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2165 -1.4839 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2009 1.7033 -1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8918 -0.8714 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -1.4716 -1.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6209 -1.9485 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5536 2.2947 -0.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -0.8753 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6798 -2.4432 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5223 3.2736 -0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 1.8624 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0138 -0.8123 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 3.8205 0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 2.4090 1.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 3.3881 1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 0.0582 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 0.7431 -2.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 2.4631 -2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 1.4665 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9389 -2.5149 -1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7605 -0.9532 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 -1.4372 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 -1.8821 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 -0.2399 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 3.6165 -1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 1.1070 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0019 -0.3690 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 4.5821 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7677 2.0733 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -3.9708 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2796 -3.8749 2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4915 3.8137 2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6169 1.8901 1.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0284 0.2935 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 18 1 0 0 0 0 2 43 1 0 0 0 0 3 44 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 32 1 0 0 0 0 8 14 2 0 0 0 0 8 22 1 0 0 0 0 9 19 1 0 0 0 0 9 22 2 0 0 0 0 10 19 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$