BCKS89 -OEChem-04042104363D 36 36 0 0 0 0 0 0 0999 V2000 -3.0154 0.7489 -0.6702 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3189 1.6532 -1.7566 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -0.9830 -0.6354 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 1.7359 -1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 0.1234 -1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 1.4627 0.9004 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 0.0970 2.5144 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8311 -0.5141 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 -0.2416 -0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4701 -1.2504 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -1.7954 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 0.5881 2.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 2.4045 1.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -2.5318 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 -2.8043 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 0.3420 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6718 0.3368 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 -0.3794 1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5993 1.0076 -0.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1801 0.7559 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -2.0295 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9841 1.2053 2.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -0.0020 2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 -0.0796 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 2.9572 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 1.8653 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8849 3.1405 0.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7939 -3.3211 0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -3.8015 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 0.8123 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1066 0.9401 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -0.2851 1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8154 -1.4494 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6480 1.0920 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -0.4625 3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5235 1.0512 2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 16 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 18 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 M END $$$$