70676796 -OEChem-03292406273D 44 46 0 1 0 0 0 0 0999 V2000 1.0435 1.9826 -0.2998 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 -2.5828 0.4184 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0445 -2.3538 0.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4066 -1.3046 0.7392 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8597 0.4264 -0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 0.0091 0.0386 N 0 0 2 0 0 0 0 0 0 0 0 0 5.6918 0.0695 0.5353 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 1.4862 -0.2741 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 -0.7350 -0.8578 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3997 0.3333 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1905 -0.0936 -0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7945 0.9419 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5053 -0.2850 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2989 -0.7157 -2.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 0.7403 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 0.4809 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0822 -1.5954 0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -0.8600 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2779 -1.8874 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3843 2.8741 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -1.2024 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 1.1410 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6246 -0.0894 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 3.4861 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 -0.2663 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -1.7741 -0.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -0.5768 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 1.0509 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 -0.7287 -1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 0.8817 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7507 1.9342 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 1.0793 2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6199 0.4907 0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0265 -1.1967 -2.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3525 -1.2543 -2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 0.3096 -2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -2.9171 0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 2.9592 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 3.4700 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 1.9935 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 3.5628 1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 2.9245 1.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 4.5004 0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3756 -1.4550 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 3 21 2 0 0 0 0 4 25 1 0 0 0 0 4 44 1 0 0 0 0 5 25 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 33 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 70676796 > 0.8 > 1 4 7 8 9 3 6 5 2 > 27 1 -0.19 10 0.37 11 0.27 12 0.27 13 0.1 15 0.19 16 0.1 17 0.19 18 0.09 19 -0.15 2 -0.19 20 0.37 21 0.47 22 -0.05 23 0.03 25 0.71 3 -0.57 33 0.36 37 0.15 4 -0.65 40 0.15 44 0.5 5 -0.57 6 -0.84 7 -0.9 8 -0.57 9 0.37 > 4.2 > 11 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 cation 1 7 cation 1 7 donor 1 8 cation 3 4 5 25 anion 6 13 15 16 17 18 19 rings 6 6 7 9 10 11 12 rings 6 8 16 18 21 22 23 rings > 25 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0436713C00000001 > 80.7544 > 55.91 > 10319926 262 18267847421118456682 10498660 4 18337389331697795332 10670039 82 18189347792553216460 10906281 52 18261690206936005785 10967382 1 18408884040570483371 1100329 8 18264770029162588515 11646440 116 18341059592164178001 11963148 33 18187642556903400675 12011746 2 18410571781849059079 12166972 35 17603305947333149964 12236239 1 17240482515940375606 12516196 113 18343018909110891501 12553582 1 18409722980795846815 12788726 201 18261108535046211433 12838862 33 18264749057064414685 12954195 1 18126864702461560006 13140716 1 18192148411144565825 13402501 40 18271519883943699472 13533116 47 16588013594609043568 13862211 1 18408317813446453307 14081887 123 18339916030961722584 14178342 30 18263919934965809744 14386348 63 18272938227893956790 14790565 3 18336836380449643397 15196674 1 18336543794566046083 15238133 3 17967816046067424711 15927050 60 17547294861718748932 15961568 22 18337390569413891404 1601671 61 18333450941128969735 16752209 62 18261961755884631765 16945 1 18335703823237282273 17349148 13 17748548125963169506 19141452 34 17917993927244323783 20028762 73 18127975415697399279 20510252 161 18341891836003004073 20645477 70 17060063601710423118 20691752 17 17025171622262729718 21033648 29 17632282471933155713 21267235 1 18336273431192223043 22122407 14 15575013740249901284 221357 26 18131352973535292996 22182313 1 18342174414833379900 2297311 6 18412834577095747716 23402539 116 18341323483059793599 23536379 177 15285351813017532821 23557571 272 18343025462793336908 23558518 356 17972325005787574563 23559900 14 18340209592609212174 23569914 152 16904672689741763181 23569914 2 15980840071636723753 23845131 108 17548994260509770673 2748010 2 18192993948703348677 283562 15 18339080380866197073 3004659 81 18113903788073725764 314173 85 18342745121830332585 335352 9 18408602587569678565 34934 24 18410283714604412475 350125 39 18192429676095555946 3680242 22 18261110755391127608 469060 322 18261687990622624905 5104073 3 18264489486309988771 5486654 2 18408042918053555151 59755656 215 18410011009792729814 621550 34 17917991672665756196 7495541 125 16950852517189107129 > 467.39 11.14 2.65 1.14 0.37 1.62 0.33 -1.53 0.03 1.51 -0.39 -1.43 -0.03 1.03 > 1010.93 > 256.3 > 2 5 10 $$$$