58603042 -OEChem-05012417433D 41 43 0 0 0 0 0 0 0999 V2000 -1.6341 1.7984 -0.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5498 -2.1984 0.7477 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2608 1.4491 0.2255 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -0.8016 -0.5403 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -0.2246 0.0381 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8647 -0.3541 0.4733 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2512 -0.8866 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -0.8940 -1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 -0.2267 0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 -1.5033 -1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -0.8590 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 -1.3633 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 1.1290 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6381 -1.0061 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0183 -0.3785 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9556 1.7790 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1324 0.9614 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6035 0.4874 -1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 -0.3326 1.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5733 1.3995 -0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 0.5795 1.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9577 1.4455 0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 -1.9333 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3488 -1.4740 -2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 0.1040 -1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 0.8489 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6218 -0.3334 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 -2.5720 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 -1.4257 -2.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -0.2987 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -1.8948 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -1.6300 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 -2.3051 -0.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1766 2.1740 -1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 2.6217 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 -0.9166 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3116 0.4637 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9704 -1.0120 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0288 2.0742 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6748 0.6126 2.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 2.1551 0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 17 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 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 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 22 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 M END > 58603042 > 0.8 > 1 6 10 14 12 7 9 5 13 4 8 3 11 2 > 26 1 -0.57 10 0.27 11 0.27 12 0.41 13 0.57 14 0.69 15 -0.14 16 0.12 17 0.57 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 -0.15 22 -0.15 3 -0.57 36 0.37 37 0.15 38 0.15 39 0.15 4 -0.81 40 0.15 41 0.15 5 -0.42 6 -0.49 7 0.3 > 4.8 > 9 1 1 acceptor 1 16 anion 1 2 acceptor 1 3 acceptor 1 4 cation 1 6 donor 6 15 18 19 20 21 22 rings 6 4 7 8 9 10 11 rings 6 5 6 13 14 16 17 rings > 22 > 0 > 0 > 0 > 0 > 0 > 1 > 8 > 037E362200000001 > 49.6755 > 45.671 > 10 15 18040440996653262017 10498660 4 17418091057734643066 10670039 82 17774455901791326136 11128504 68 15123509216257683488 11578080 2 13900532238409891385 11595378 159 17458894960179879704 117890 112 18408887325729821963 12107183 9 17391334227234375008 12236239 1 16950566575768370059 12403259 118 18337669823279631844 12596602 18 17022623095742909280 12616971 3 15864075390036550855 12633257 1 16732703887416938396 12969540 114 17275099531265261070 13288520 33 9583519815470678467 13533116 47 16950841406457002650 13862211 1 12901547961674351689 13911987 19 17203331121464533621 13914758 101 14996273709548970103 14341114 176 18259989249436132408 14341114 328 18040155119493120500 14528608 73 16845569812010819726 14739800 52 18336251367475660784 14848160 23 12035442852908089576 15183329 4 11887677277432464920 15575132 122 16056605313805223865 17349148 13 14996289106284292690 17870717 6 9655577430909557433 17980427 23 18187368761506316175 1813 80 14996569443263806558 18186145 218 16845569838292534318 19377110 9 17749110019001345091 193927 3 12035726475600556846 19784866 240 8935006992599629470 20645477 56 18060415854802516742 21033648 29 18059564832897525056 21150785 3 15482663598354036697 23198884 109 13830132805851619980 23227448 37 18058163002610970396 23402539 116 18187362164099204935 23557571 272 18339377287285576687 23559900 14 18265064543687124502 2838139 119 18270386227246948172 2916195 48 18409727361224638969 345986 75 15864891181042472296 34797466 226 18130799978809701020 3680242 22 17967817102672012952 4340502 62 17822294552344162003 465052 167 11746937573274757280 5104073 3 18334862662545956875 559249 180 10159712265050728908 5718773 13 11603123698841328713 59682541 52 13758078459041440324 960060 61 13254797962846742688 > 420.2 14.77 1.85 1.26 2.57 0.13 -0.01 7.75 2.61 -0.97 -0.22 1.19 -0.18 0.68 > 893.262 > 230.8 > 2 5 10 $$$$