B4DUX9 -OEChem-04022109122D 45 47 0 0 0 0 0 0 0999 V2000 4.6038 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -1.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -1.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.4996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 0.6779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -0.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 1.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -1.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 0.6188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7331 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 11 1 0 0 0 0 2 39 1 0 0 0 0 3 18 2 0 0 0 0 4 22 1 0 0 0 0 4 45 1 0 0 0 0 5 22 2 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$