B4MB3O -OEChem-04012114223D 42 45 0 0 0 0 0 0 0999 V2000 -2.6827 2.3124 -0.2291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 1.1488 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0312 -0.0644 0.0302 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 -2.3713 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -2.0256 0.1075 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 -1.4269 0.0789 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 -1.2073 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8280 0.0157 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -1.1857 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0485 1.2683 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 2.2629 0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -2.3944 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2291 0.0590 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 2.1385 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3507 -2.4561 0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1558 3.4636 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 3.2152 -0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3098 -2.3490 -0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9666 -1.1237 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0123 -3.7028 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 4.5404 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 4.4161 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 -3.3882 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8164 3.0830 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5569 -4.2285 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -3.3737 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 1.0029 -0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5198 -3.2413 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8825 1.2223 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 3.5874 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8828 -3.2716 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0516 -1.0886 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 -4.6943 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 5.4730 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7009 5.2624 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 3.7680 -0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2022 2.0693 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8239 3.3044 -1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -1.4395 0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1445 -4.0326 1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -5.2922 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1883 -4.0294 -0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 9 2 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 39 1 0 0 0 0 6 15 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 17 2 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 30 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 23 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$