BM89CE -OEChem-04012112433D 28 29 0 1 0 0 0 0 0999 V2000 4.0623 2.5489 -0.5887 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.3315 2.3230 0.2860 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -3.0062 0.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -2.7503 -0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -1.7868 0.6433 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6075 -0.6208 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 -1.8019 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 -0.7268 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4295 -0.0999 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 -0.0970 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7035 -0.0420 1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 -0.3816 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.9766 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4271 0.9793 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 1.5162 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 0.9879 1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 0.6483 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4367 1.3329 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -1.7712 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.5145 2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -0.5073 -1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1102 -0.2902 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2768 -0.8998 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 1.3944 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 1.3964 -2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 1.5196 2.2028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 0.9185 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 -3.7271 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 3 5 1 0 0 0 0 3 28 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 0 0 0 0 12 17 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$