10427712 -OEChem-04252409053D 40 43 0 0 0 0 0 0 0999 V2000 3.5361 3.0183 1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -3.0448 1.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 1.3256 -0.0837 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -1.4415 -0.0862 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5630 -1.4721 0.0965 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8194 0.5680 0.1963 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6893 2.6409 0.1071 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9025 -1.5061 0.2810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1244 0.6393 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1157 -0.7285 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.4524 -0.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0874 -1.5220 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 0.6112 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4178 -0.7851 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 1.8480 0.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 -1.9054 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 1.8471 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 -1.9058 -1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6476 1.2223 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8832 2.6350 0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9291 -2.6703 0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6956 2.6340 -1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -2.6706 -1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3634 3.0279 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4148 -3.0530 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7049 -0.7647 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 1.5472 1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3957 -1.6125 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 1.5492 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0595 -1.6163 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.9399 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 -2.9683 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 3.6406 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3194 -3.6490 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6021 3.0744 0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 3.1429 -0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7849 -1.0184 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8635 -2.5160 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 3.5563 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -3.5682 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 39 1 0 0 0 0 2 21 1 0 0 0 0 2 40 1 0 0 0 0 3 9 2 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 4 14 1 0 0 0 0 5 14 2 0 0 0 0 5 26 1 0 0 0 0 6 19 1 0 0 0 0 6 26 2 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 26 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 15 20 1 0 0 0 0 15 27 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 23 25 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 M END > 10427712 > 0.6 > 1 18 9 20 11 15 5 19 10 14 6 17 12 7 16 8 13 4 2 3 > 38 1 -0.53 10 0.31 13 0.31 14 0.62 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.41 2 -0.53 20 0.08 21 0.08 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 0.72 27 0.15 28 0.15 29 0.15 3 -0.62 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.4 36 0.4 37 0.4 38 0.4 39 0.45 4 -0.62 40 0.45 5 -0.62 6 -0.62 7 -0.9 8 -0.9 9 0.31 > 2 > 12 1 1 donor 1 2 donor 1 3 acceptor 1 4 acceptor 1 7 cation 1 7 donor 1 8 donor 4 5 6 8 26 cation 6 11 15 17 20 22 24 rings 6 12 16 18 21 23 25 rings 6 3 4 9 10 13 14 rings 6 5 6 13 14 19 26 rings > 26 > 0 > 0 > 0 > 0 > 0 > 1 > 177 > 009F1D4000000001 > 98.1847 > 60.945 > 10006869 2 18059025999581746345 10162869 55 17549268035206829209 107951 10 17755316891938407038 1100329 8 17981899536110941809 11405975 8 18337678503994307457 11578080 2 17386552558301846622 11582403 64 16628535133483581960 11963148 33 17975410532206876683 12422481 6 18122030218954626408 12553582 1 18048042865465870791 12592029 89 18336829813560160032 12788726 201 17467645793074190466 12839892 36 18120080947266653419 131258 43 17487638333551023478 13140716 1 18339082575931926521 13149001 5 17829022348019948068 133893 2 18264231173896888376 13540713 4 18335416847214833997 140371 6 17769665200320813189 14739800 52 17704069625108637817 14955137 171 18129945577192877150 15324884 4 17484791628784330518 15927050 60 18054226798750762822 17492 89 18410858755080929395 17980427 23 17986651706495151940 1813 80 18195811769272293454 20028762 73 17190394512861935551 20567600 347 18265054824096316738 20600515 1 17907573632240875512 20642791 239 17827959185275092668 20691752 17 17385731270371184189 20905425 154 18341346521285455732 21033648 29 17057501653417990491 21859007 373 17606945215073847181 22182313 1 18041265609315827117 22956985 138 18187352230304326810 23366157 5 18187090558920034060 23419403 2 18044911521022225692 23557571 272 17622162365570303814 23559900 14 18270961237520985099 25147074 1 18343308050751821145 312423 11 18340781372962633187 3411729 13 18411134770768526632 350125 39 18337962199215928325 352729 6 17684942688087208549 43471831 8 18265049330690668410 5104073 3 18411993451465241411 5895379 119 16914559656970180793 59755656 215 18335703887635606653 6138700 20 18337966640712889612 67856867 119 18411978079144285391 7364860 26 18342742918332495470 81228 2 17476937748512534130 9709674 26 18335989735569590875 9841814 1 18335988566779629186 9981440 41 18118686766538594361 > 493.44 8.9 4.51 1.37 13.18 0.29 -0.05 -1.06 -1.41 -6.46 -0.34 -1.97 -0.01 0.05 > 1115.494 > 256.1 > 2 5 10 $$$$