B12DOT -OEChem-04012118132D 34 34 0 1 0 0 0 0 0999 V2000 9.2889 -3.8880 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.6418 3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9830 -2.9360 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3340 -3.4659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 0.5535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 0.2433 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1408 2.1629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 -0.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 0.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 1.8629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4144 2.4903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7221 -1.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7204 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 2.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6996 -1.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4294 0.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0055 -2.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -0.4829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4151 -1.0181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0304 -0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4398 0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9782 2.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 -1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6985 -2.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 1.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 2.8926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 2.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3138 -1.6886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7232 -1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 -0.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 -0.0121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 3.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 18 1 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 33 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$