40650983 -OEChem-04182411363D 39 41 0 0 0 0 0 0 0999 V2000 2.6240 1.9770 -0.2445 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5233 -4.5027 0.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -3.6795 -1.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6116 1.1768 -0.9607 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.6090 0.2924 1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8911 -0.5703 0.0596 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0039 0.7735 0.0603 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5436 0.2007 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0663 -1.1310 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 0.3869 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -2.1940 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 1.1374 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2249 1.3623 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -0.0263 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8042 1.0422 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 1.4842 -0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 0.5110 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4441 2.0588 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -0.7408 0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -3.5143 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6234 1.3279 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -0.0538 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8923 1.3953 -0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 0.4221 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5872 0.8642 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 -1.0266 -1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -1.4710 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7778 -1.9010 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -2.3455 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 2.0811 0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 1.9006 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 0.1659 2.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4770 3.1375 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 -1.8204 0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4016 1.7494 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3986 0.0035 2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5779 1.8477 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5185 -0.6057 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 -5.3559 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 20 1 0 0 0 0 2 39 1 0 0 0 0 3 20 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 11 20 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 23 1 0 0 0 0 16 31 1 0 0 0 0 17 24 2 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M CHG 2 4 -1 7 1 M END > 40650983 > 0.8 > 1 22 11 21 13 19 3 4 17 7 9 14 16 20 8 15 10 23 12 5 18 6 2 > 35 1 -0.08 10 0.33 11 0.06 12 -0.18 13 0.04 14 0.23 15 0.03 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.65 20 0.66 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.13 3 -0.57 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.5 4 -0.52 5 -0.52 6 -0.57 7 0.91 8 -0.09 9 0.14 > 6 > 10 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 4 anion 1 5 acceptor 1 6 acceptor 3 2 3 20 anion 5 1 6 10 13 14 rings 6 13 14 18 19 21 22 rings 6 15 16 17 23 24 25 rings > 25 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 026C48E700000001 > 68.4542 > 50.959 > 10 15 18113613530733439656 10090160 65 18341049632045425197 10906281 52 17916883395031159204 11421498 54 17489030336535257243 11524674 6 18343585157256525799 11578080 2 17558256890127292680 11719270 70 18337946801346644107 11991303 11 18262242221544476582 12236239 1 17489307460457447393 12597179 24 17988932171248164598 12788726 201 18123735711233776650 13052359 8 18338802328582918603 13533116 47 17774723065915316062 13631057 29 18059567049607357263 13968360 50 18337384951189985999 14866123 147 18337951306752182514 15131766 46 16372998753122278060 15849732 13 18040437689886978244 15927050 60 18411134740725900246 17138139 8 17772158012588525703 17980427 23 17240209837193987517 18006028 8 8790885176914579681 1813 80 11025799738908081442 18681886 176 18336259123997063145 19141452 34 18335982060578960620 19489759 90 16660363666929564749 20197701 30 18408040697502864994 204376 136 18411983546236746087 21033648 29 18338217315847169752 21033650 10 16772142209854181080 21054139 6 18272079518562046567 21236236 1 18341893056106142279 21267235 1 18338239268009841380 21344244 181 17703522012030068174 21521721 280 18341898502082307009 21781051 124 18115613515706926082 22224240 67 18412826889420604049 23558518 356 17755020040683572024 23559900 14 17458064897504633321 23569917 315 18342464724506220687 23569943 247 16771288894288824134 249057 3 18410576185308817484 283562 15 18200035027747249928 3178227 256 18410583889889751481 335352 9 18411420601664839404 4258327 124 18043262425559043268 4340502 62 18412548695234535198 474229 33 18410294705272306859 5104073 3 18267293417824661880 5486654 2 18342460352270950932 550186 7 16444167739020258951 59755656 520 18411694413328195799 6669772 16 18343305829843020254 > 484.9 15.73 3.36 0.99 1.21 5.88 0 -9.49 -1.36 -0.53 0.48 -1.1 0.1 0.13 > 1039.635 > 269.2 > 2 5 10 $$$$