B3DUG2 -OEChem-04042102023D 28 30 0 0 0 0 0 0 0999 V2000 1.5988 1.0336 1.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3163 2.6582 -0.5699 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8548 0.4437 -0.1085 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8936 -2.0858 0.4227 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7297 0.0907 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9493 -0.4913 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7114 0.1767 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.4285 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -0.6726 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.9616 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3331 1.3983 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1065 -1.0811 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 -0.8784 0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 0.7693 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 0.3433 -0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7253 1.4816 -0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 -0.7452 -0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 0.1706 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6607 -2.0786 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -1.3395 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -1.9151 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 2.2975 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0128 -1.8003 -1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 1.4851 1.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2561 -1.2045 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 0.4256 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 -3.0081 0.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -0.4097 0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 19 2 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M END $$$$