BC3IK2 -OEChem-04012113582D 50 53 0 1 0 0 0 0 0999 V2000 13.6706 -0.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9764 -0.7090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 2.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -2.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5116 0.9383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7026 2.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1807 1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6807 2.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7195 -0.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -0.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6305 0.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1105 0.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6378 2.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0826 2.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5956 1.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6823 2.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2471 2.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4892 3.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 0.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 -0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -1.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 1.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 1.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.3058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 1.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 -0.5012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.1188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 41 1 0 0 0 0 2 14 2 0 0 0 0 3 15 2 0 0 0 0 4 17 1 0 0 0 0 4 45 1 0 0 0 0 5 23 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 40 1 0 0 0 0 7 16 1 0 0 0 0 7 20 2 0 0 0 0 8 25 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 1 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 25 1 0 0 0 0 21 24 2 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 44 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 2 0 0 0 0 28 47 1 0 0 0 0 29 31 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$