B2BA8E -OEChem-04012118112D 46 48 0 1 0 0 0 0 0999 V2000 3.6636 1.5617 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 -0.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -0.0474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 1.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4432 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3092 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5054 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1035 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9695 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5447 1.7742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1024 -0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1719 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3748 0.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5782 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -0.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5020 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7049 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3714 2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7744 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1024 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6595 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5064 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2795 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 12 3 1 1 0 0 0 3 43 1 0 0 0 0 4 11 2 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 20 1 0 0 0 0 6 37 1 0 0 0 0 7 17 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M END $$$$