B38EHD -OEChem-04022103273D 41 44 0 0 0 0 0 0 0999 V2000 5.6887 -0.7710 -0.1055 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9589 -0.3395 -1.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 1.5771 -0.4504 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3005 0.2413 0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0245 -2.1750 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -0.6740 0.6024 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -0.7491 -0.5133 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 0.5790 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.5896 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9474 -0.6495 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -0.6286 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2523 -1.8503 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 1.7971 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 -1.8399 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 1.8181 0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 0.3323 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -0.9228 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 0.3789 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 -0.7952 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2585 3.0085 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 3.0189 0.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1803 -2.0944 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7973 -2.0295 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0897 1.5039 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 -0.9693 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4726 1.4389 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1001 0.2047 0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 -2.8166 0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 1.8779 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 -2.7820 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 1.8728 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7969 3.9440 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3391 3.9625 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6496 -3.0700 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -2.9498 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6563 2.4926 -0.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8586 -1.9230 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0606 2.3520 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1769 0.1548 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7484 0.5943 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7389 2.2642 0.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 2 40 1 0 0 0 0 3 18 1 0 0 0 0 3 41 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 20 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 17 22 1 0 0 0 0 17 25 2 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 24 36 1 0 0 0 0 25 27 1 0 0 0 0 25 37 1 0 0 0 0 26 27 2 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$