14707 -OEChem-05092400593D 51 54 0 1 0 0 0 0 0999 V2000 5.8153 -0.1579 1.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 0.5461 -0.1889 N 0 0 1 0 0 0 0 0 0 0 0 0 1.3032 -1.3877 -0.0639 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4601 -1.1354 -1.3518 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0018 0.3386 -1.3456 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3747 -1.1096 1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 1.2780 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4913 -0.4157 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 0.2771 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.8479 -0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 -2.8694 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1692 -1.5166 -2.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5707 1.8422 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -0.7257 0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5039 1.7388 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 1.8814 0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 0.1720 0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 1.4020 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7307 0.8119 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 1.0952 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 -0.4376 1.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7599 0.1060 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 -1.4268 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 -1.1550 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 -1.7685 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 0.5026 -2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9298 -1.2112 2.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 -1.8674 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9442 2.3024 -1.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5433 1.3251 -2.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 0.3113 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4691 1.0443 1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 -3.0880 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1131 -3.1511 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8902 -3.5333 -0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5648 -1.2180 -3.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1536 -1.0517 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -2.6007 -2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8745 2.6612 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9949 2.0335 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7264 -1.6713 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4602 2.7062 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1901 2.8638 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3491 1.8312 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 2.1095 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 0.5769 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 2.0730 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -0.6739 1.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6076 0.3175 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4321 -2.4059 1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3645 -1.9246 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 46 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 15 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 41 1 0 0 0 0 15 18 2 0 0 0 0 15 42 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > 14707 > 0.8 > 5 23 4 15 14 28 18 27 11 12 1 22 17 26 13 25 21 8 2 20 19 9 7 16 3 6 24 10 > 29 1 -0.53 10 -0.14 13 0.27 14 -0.15 15 -0.15 16 0.14 17 0.08 18 -0.15 19 -0.14 2 -0.81 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 3 0.14 41 0.15 42 0.15 45 0.15 46 0.45 47 0.15 48 0.15 49 0.15 5 0.27 50 0.15 51 0.15 7 0.14 8 -0.14 9 0.27 > 4 > 6 1 1 donor 1 2 cation 6 19 20 21 22 23 24 rings 6 2 3 4 5 6 9 rings 6 3 4 5 7 8 10 rings 6 8 10 14 15 17 18 rings > 24 > 0 > 3 > 0 > 0 > 0 > 1 > 3 > 0000397300000005 > 74.8933 > 31.964 > 10074138 170 17771600594136600110 10090160 65 18409443691677953979 11045977 3 18186802504169613592 11370993 70 18259988175942618339 11488393 25 17130168428279091286 11578080 2 17532643534392374669 11796584 16 13190344552007890680 12011746 2 17822301180079663710 12166972 35 16226054435301045597 12236239 1 18187362151451368057 12403259 118 18412539886315257008 12403260 363 18113057133797513268 12592029 89 18342177748197636090 128238 76 18129093597019626279 12839892 36 18410006637336564058 128620 24 17275109409901142209 13134695 92 13623541168099563886 13224815 77 18411430492436568513 13583140 156 18201707428051204537 13590594 115 9583244975828979135 14341114 328 18341059566051865825 14787075 74 18272088339696768201 14955137 171 18411698747799471088 15183329 4 8502379940167577617 15238133 3 13623527905883943583 15788980 27 16370729236151426377 15849732 13 18412824699367195100 16945 1 18264479586658160900 17349148 13 17531260464754778177 17862501 102 18113618992871056273 17980427 23 17748837318832685301 18222031 100 16950568749032280414 192875 21 15936417732148312429 19377110 9 18272663328971099729 200 152 18333449855071955945 20028762 73 18335135405991869538 20197701 30 18187361064550621851 20511986 3 17968361421383864555 20739085 24 17895195532478444180 23402539 116 18114176449814227657 23557571 272 18270968916922822233 23559900 14 18195245512251979091 2637199 183 12319734761086898429 3009799 131 7925909292839850058 3323516 105 11312053227776384712 339767 52 18335415786257600507 347723 3 10231758885869150404 392239 28 18202003269629937977 4325135 7 18341893000292198561 4340502 62 18130786758926873782 439807 62 17824546512274962715 44062 13 12035743019651714017 465052 167 17603307059592308400 469060 322 17774419664957039109 474113 269 16734641149142189898 474229 33 18341894116746487579 5104073 3 18129389202728735539 5283173 99 17895182256951407645 59755656 215 18341337712919623438 59755656 520 16056878048612969572 6328613 192 16805899480200101446 6442390 28 16774077405430448711 67856867 119 18114466776766644901 6913067 236 18335974320499442357 7495541 125 18202279251217090745 9709674 26 18262247629503998059 9971528 1 15574715823943000508 > 483.06 11.65 2.14 1.57 7.43 0.5 -0.68 -0.93 3.51 -0.32 -0.23 -0.82 0.44 0.09 > 1048.565 > 261.5 > 2 5 10 $$$$