22146959 -OEChem-03192407253D 35 37 0 0 0 0 0 0 0999 V2000 5.5475 0.1879 0.2843 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0918 0.8298 0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 -0.9105 1.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 -0.1677 -0.9411 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6936 1.5142 0.8638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2603 -0.6830 -0.6046 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6508 -0.3565 -0.1145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3881 0.1596 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7446 0.5300 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.4774 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2064 1.5300 -0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8519 -1.7329 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5434 1.9064 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 0.0138 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 2.4019 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 -0.0688 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -1.1736 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 0.4232 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1134 -2.2283 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1889 -1.3566 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4116 -0.9693 -0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 0.6274 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4727 -1.5696 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 1.9478 -0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 -2.4539 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3627 2.6145 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1415 3.4679 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7265 -1.8785 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8379 0.9594 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2554 -3.2948 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -1.7591 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1216 -1.5272 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 1.3238 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8691 0.2922 0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 -0.8956 1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 19 2 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 14 20 2 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 28 1 0 0 0 0 18 22 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 22 33 1 0 0 0 0 M END > 22146959 > 0.6 > 1 13 12 6 9 5 2 4 7 11 10 8 3 > 33 1 1.49 10 0.1 11 -0.15 12 -0.15 13 -0.15 14 0.08 15 -0.15 16 -0.01 17 -0.15 18 -0.15 19 -0.15 2 -0.53 20 -0.15 21 -0.15 22 -0.15 23 0.4 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.68 30 0.15 31 0.15 32 0.15 33 0.15 34 0.45 35 0.5 4 -0.65 5 -0.65 6 -0.6 8 0.1 > 3 > 10 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 6 donor 4 1 3 4 5 anion 6 10 16 17 18 21 22 rings 6 7 8 9 11 13 15 rings 6 7 9 12 14 19 20 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0151EF8F00000001 > 75.0083 > 50.828 > 10 15 18271516594399391616 10319926 262 18265882589265149938 11045977 3 18272087227585172489 11315181 36 17894632569128443557 11370993 144 17774174396427571107 11524674 6 17346598586287021167 12107183 9 17466774992633297488 12166972 35 16588027930877691684 12236239 1 17095242509957061422 12403259 415 18060132163839069680 12596602 18 17603863412386571688 12838862 33 18334846200943749277 13402501 40 18272371983552796323 13533116 47 17240478092567056066 14341114 176 18410294713857194128 14386348 63 18273218590310490367 14844126 61 18188493609357940795 14933364 13 18413110572211146724 15788980 27 16515399655829093078 17349148 13 16225767406731213226 17844677 252 18410578392452963984 1813 80 17530690909189051055 18222031 100 14707205501257788486 18785283 64 18057316400275526472 18927931 339 18408888451560230735 200 152 14779263111768658621 20645477 70 17203051760107897846 21033648 29 17703777103111797640 21267235 1 18262527000263277179 21792961 116 17988086596020579662 220451 1 17967816046320885722 22122407 14 16343715360844027659 2297311 6 18411146835041556165 23198884 109 12463571785537120365 23402539 116 18187361051728906135 23557571 272 18341060631277458988 23559900 14 18412262839686607469 335352 9 18335421275595076837 350125 39 18340490057762634460 3545911 37 18343586218018203556 4214541 1 18409729538788901605 4325135 7 18186806898348600692 5104073 3 18269276763842051770 59755656 215 18201727227987530902 67856867 119 18041569164266096172 7495541 125 18410854395577919152 > 428.14 15.09 1.96 0.99 11.58 0.32 0 -0.93 3.64 -2.34 -0.07 0.97 -0.1 0.89 > 932.37 > 232.7 > 2 5 10 $$$$