71433528 -OEChem-03292405163D 34 34 0 1 0 0 0 0 0999 V2000 4.5808 0.2381 0.0114 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -1.2614 -1.0745 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3433 -0.0115 2.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 1.6496 -0.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5371 -2.4360 0.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 0.0238 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 1.6927 -0.7426 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 0.7509 1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7234 1.3161 -0.9495 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1544 -1.0657 -0.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 -0.3091 0.0997 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2986 0.6456 0.7424 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1077 -0.1348 -0.3047 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1661 0.7499 0.3073 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7292 -0.6299 -0.0803 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4420 -1.4723 -0.6580 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1432 -0.5525 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4732 0.6245 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8195 0.1822 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7378 1.6421 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 0.4748 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 1.1723 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 -1.2677 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -1.8967 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4985 -1.5584 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1716 0.0408 -1.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7141 -1.1369 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 0.5343 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 2.5144 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5271 -3.3144 -0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7493 -0.1036 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5370 1.0019 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1699 -0.6711 -0.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 0.9368 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 10 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 14 1 0 0 0 0 4 29 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 17 1 0 0 0 0 7 18 2 0 0 0 0 8 34 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END > 71433528 > 0.8 > 1 34 11 31 15 16 9 28 20 8 40 32 3 41 12 30 38 37 7 33 13 26 14 36 29 17 35 19 6 42 22 25 21 39 2 24 27 4 23 18 5 10 > 24 1 1.67 10 -0.65 11 -0.73 12 0.28 13 0.3 14 0.28 15 0.28 16 0.56 17 0.28 18 0.57 19 0.06 2 -0.56 27 0.37 28 0.4 29 0.4 3 -0.68 30 0.4 34 0.5 4 -0.68 5 -0.68 6 -0.46 7 -0.57 8 -0.68 9 -0.65 > 6.2 > 14 1 10 acceptor 1 11 donor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 8 9 10 anion 6 2 12 13 14 15 16 rings > 19 > 4 > 1 > 0 > 0 > 0 > 1 > 2 > 0441FD3800000001 > 34.1822 > 71.158 > 10014705 185 18272365412389911916 10366900 7 16845299349778694634 11132069 177 18341611547080377242 11315181 36 17775289378849235874 11401426 45 18202561778666075053 12011746 2 17703794717031121308 12592029 89 18261392208893274475 12969540 114 17489289880945035797 13533116 47 17916870119361197918 14123238 8 13912325676710320388 14943859 89 17894911828234234849 15048467 5 17989486320639184649 15375358 24 18060702796966646662 16945 1 17702935947205535383 17834072 33 13183014138023424136 17834076 25 17703791409922023697 187816 3 17418375787895650515 200 152 15697998530905622563 20645477 56 18407758148789345389 20645477 70 17346326942753948310 23402539 116 18409724063243500853 23559900 14 17703788150442675426 3545911 37 18343586239857075902 4340502 62 17095528374770274243 59755656 215 18341616954708538654 > 337.06 11.45 1.56 1.09 4.08 0.46 -0.32 -3.16 -0.35 -0.32 0.23 0.22 -0.17 0.33 > 664.064 > 201.1 > 2 5 10 $$$$