BEM3S6 -OEChem-04012112472D 32 33 0 1 0 0 0 0 0999 V2000 3.6418 3.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 0.4479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.1378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 2.0574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3114 -3.7825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -0.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 2.3847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7221 -1.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 1.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 -1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 0.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0055 -2.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -0.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4151 -1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0304 -0.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 -0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0006 2.5866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 -1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6985 -2.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 1.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 -0.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 -1.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 -1.2588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -0.1176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 3.7825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 32 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 16 1 0 0 0 0 3 28 1 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 14 1 0 0 0 0 5 16 2 0 0 0 0 6 17 3 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 15 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 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 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 M END $$$$