10446567 -OEChem-03292401373D 37 38 0 0 0 0 0 0 0999 V2000 -0.4050 0.9487 -1.2947 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 1.0947 0.6014 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 0.4539 -2.8396 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 -0.1379 1.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 1.0629 0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -0.2965 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 -0.4503 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9246 -1.4037 0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7534 -1.7299 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7768 0.7588 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 2.4100 1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2097 0.6767 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4523 -2.6832 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3668 -2.8464 -0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3405 0.4621 -1.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3697 0.6746 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 0.2516 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 0.4641 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7362 0.2526 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 0.0372 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 1.2874 1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 1.8626 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -1.3046 1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -1.8886 -1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8695 0.8380 -0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5491 -0.2721 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3589 1.4304 -1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 2.4189 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 3.2072 0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4949 2.6507 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9274 -3.5525 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 -3.8429 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5248 0.8480 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 0.0865 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7187 0.4701 2.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 0.2970 -3.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 0.5999 -3.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 15 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 20 3 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 M END > 10446567 > 0.6 > 1 23 28 41 50 15 54 18 33 22 30 16 32 14 42 31 20 21 9 52 43 24 10 39 25 45 13 11 26 36 27 4 35 12 8 17 3 34 51 40 47 37 5 38 19 2 7 48 29 46 49 44 6 53 > 29 1 -0.2 10 0.27 11 0.27 12 0.1 13 -0.15 14 -0.15 15 0.1 16 -0.15 17 -0.15 18 -0.15 19 0.07 2 -0.81 20 0.48 23 0.15 24 0.15 3 -0.9 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.4 37 0.4 4 -0.56 5 0.41 6 -0.14 7 0.1 8 -0.15 9 -0.15 > 4 > 6 1 2 cation 1 3 cation 1 3 donor 1 4 acceptor 6 12 15 16 17 18 19 rings 6 6 7 8 9 13 14 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 009F66E700000001 > 69.2025 > 30.446 > 11370993 144 18271515456116883498 11725454 13 17560509612915834077 12077114 3 17917992814620680546 12236239 1 17749390385976680673 12346177 29 18341048627007461823 12403259 327 18272642442328653112 12422481 6 17970332734010959930 12500047 106 18343021107490594907 12553582 1 16081633544264298136 12633257 1 18411694396428180488 12788726 201 17900842740068451019 13583140 156 17489300936322834682 14178342 30 18410014376693713886 14251732 17 18060416876545745280 14251764 30 13118292459812473785 14350574 20 14057004897620086496 15238133 3 18341055133756691264 15375358 24 17632579361763762264 15527383 91 15719393918969935005 15537594 2 17385715864830149642 15842332 3 17678191596366638270 16752209 62 18264774427457578071 17349148 13 18335982069121500727 17780758 139 18337095835692776906 1813 80 17095241385366979870 19049666 15 17559703687919497878 19078846 21 18260555566696960444 19422 9 17604155950808613998 19489759 90 18201994435082565689 20279233 1 17560806554027313268 20554085 129 18057869278588147961 20600515 1 18413395332047223780 20645477 70 16200159751072025276 21033648 29 17774736302398075441 212916 134 18341614780937673665 21403212 168 18115297866054820769 22112679 90 17968380164035666596 23402539 116 17917700297462744273 23503953 91 18334290985619766672 23503958 8 18189614019853122954 23559900 14 18058470754392699316 23566358 27 15286222686103137846 23622692 88 17822006488897811143 312423 11 17459478925154864902 351380 180 17489583446249533337 474 4 14836120005266747930 495365 180 17560246807961532086 5104073 3 18114742745790207944 5385378 56 18195253217918842867 5706482 22 18410295818043642803 84936 182 17768542594912401873 9862522 239 18041272163504596389 9981440 41 18340210687794432331 > 400.5 10.46 2.24 1.72 5.51 1.53 0.76 -3.81 -4.73 -3.7 -0.32 1.64 -0.37 -0.56 > 834.02 > 228.7 > 2 5 10 $$$$