BJ2BF8 -OEChem-04022103453D 40 42 0 0 0 0 0 0 0999 V2000 -0.9525 -2.6904 0.7478 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3415 -1.4665 -2.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2834 1.1163 -0.2814 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 -2.2071 0.4798 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -0.3974 0.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4976 0.0953 -0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 -2.1700 0.2845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 3.6294 -0.8501 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 2.2853 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -0.0876 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 2.8709 0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5419 -1.1837 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 1.0905 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 -1.6850 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9675 -1.1411 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 4.1388 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 -1.5551 0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 -1.3462 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 -0.8757 1.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0473 -0.4578 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5460 -2.0504 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 0.0129 1.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0925 3.8527 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4827 0.2218 0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 2.0169 -1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 3.0465 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 3.1122 1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.1259 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.1687 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0879 2.0769 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 4.9036 0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1779 4.5453 1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 -1.0233 2.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5538 -0.2803 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3969 -3.1220 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 -1.9591 -2.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 0.5426 2.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6999 -1.8923 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3165 0.9145 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0894 -1.9492 -3.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 40 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 10 1 0 0 0 0 5 14 2 0 0 0 0 6 13 2 0 0 0 0 6 15 1 0 0 0 0 7 15 2 0 0 0 0 7 38 1 0 0 0 0 8 23 3 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 2 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 13 30 1 0 0 0 0 16 23 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$