BZX81E -OEChem-04022109542D 43 44 0 0 0 0 0 0 0999 V2000 5.6974 1.7536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2852 2.5626 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -3.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9086 0.1845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 0.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6974 1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4662 4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 3.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -2.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1974 -2.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9575 0.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 -4.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4951 3.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -0.9752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 3.9208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8307 4.7868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9647 4.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9488 4.1973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 3.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 2.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 -2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -2.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 0.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 1.9836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5392 1.9377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0214 -3.7483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 -4.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6414 -4.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 17 1 0 0 0 0 3 22 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 17 2 0 0 0 0 6 21 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 14 19 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 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 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$