BKET50 -OEChem-04022103152D 42 45 0 0 0 0 0 0 0999 V2000 3.7320 3.1970 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1970 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -1.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8973 0.1647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 -1.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.6077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 -0.5119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9738 1.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1744 -0.0134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9682 0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4753 1.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0872 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 0.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2416 -1.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3838 1.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0128 2.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1663 2.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 1.6292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.6130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4632 -0.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 29 1 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 42 1 0 0 0 0 5 24 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 31 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 23 2 0 0 0 0 10 17 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 30 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 M END $$$$