B3MDF6 -OEChem-04022110503D 53 54 0 0 0 0 0 0 0999 V2000 -2.1195 1.2885 -0.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 -0.7453 0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2681 1.3138 -0.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2150 0.1716 1.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 -0.0025 0.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3777 0.3091 0.1982 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4095 -1.1813 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 1.0542 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7484 -0.8186 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5126 1.4663 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -0.3663 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1857 0.6656 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7355 0.3691 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1753 0.3016 -0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 0.8805 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 -0.7614 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 -0.1651 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2594 1.5114 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 -2.0564 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 0.0512 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 -0.5796 -0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 1.0969 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4520 -0.3826 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9876 -1.5379 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4420 -1.8829 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -1.6109 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -1.9553 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 1.9500 -0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 0.7112 -1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -0.5159 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4022 -1.6956 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0115 2.2074 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3473 1.9310 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3129 -0.4907 -1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9131 -1.3315 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1029 0.7512 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 1.6675 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -0.6915 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 0.2696 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9725 -0.6879 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3104 0.0884 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 -0.6637 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 2.3263 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2645 -2.1531 1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9321 -2.9164 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 -2.1022 0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5708 -1.3923 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2167 1.6044 1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8956 -1.2544 -1.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3795 -2.4282 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5797 -2.1816 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0926 -1.0234 -0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7681 -2.7091 -0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 13 2 0 0 0 0 4 23 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END $$$$