B9FUP5 -OEChem-04012113083D 37 39 0 0 0 0 0 0 0999 V2000 1.4804 0.3853 0.8383 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5337 -0.8444 1.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 1.5918 1.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 3.0425 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -1.4060 0.5513 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 0.7319 0.4321 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3677 0.4909 0.0474 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 1.9088 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6486 2.0081 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -0.2016 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 0.0268 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -0.0841 -0.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -0.3119 -0.6119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 -1.2349 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5544 0.4863 -0.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.6330 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 0.6961 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2238 -1.8118 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8149 -0.0905 -1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3182 -1.9487 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8945 0.3803 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1495 -1.2395 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2814 -0.9422 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 2.4889 0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3468 2.2190 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -0.8102 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 0.9064 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2922 -1.6899 1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3288 1.3745 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 -2.4262 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 1.7298 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4885 -2.7007 1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5357 0.3538 -1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6195 -2.9784 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 1.1639 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1316 -1.6874 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3327 -1.1880 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 19 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$