BDU12W -OEChem-04012113003D 19 19 0 0 0 0 0 0 0999 V2000 -0.3974 -1.0909 -0.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9252 -0.2915 0.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2374 -1.0513 0.1909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5264 1.6759 0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 0.2623 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 0.5608 -0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2271 1.2203 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 0.8336 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9421 -0.6176 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 -1.4632 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 -0.0385 0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 0.3891 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 1.6067 -0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 2.2758 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0123 -2.5399 -0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 -0.7258 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 -0.2143 -0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 0.9876 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2376 -2.0238 0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$