655586 -OEChem-03282404223D 29 31 0 0 0 0 0 0 0999 V2000 -2.7895 -2.9692 0.3231 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 1.1588 -0.1252 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -1.0506 0.1158 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2692 1.5387 -0.1713 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 0.1198 -0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 0.8013 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 0.0188 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 -0.5824 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 0.0439 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 1.5469 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8636 -1.2804 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0447 0.8361 -0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -0.5525 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5596 -1.0489 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 1.1621 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9543 -1.0240 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9171 1.1874 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 0.0943 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0061 2.1013 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 2.6251 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0075 -1.0808 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -1.9291 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9956 2.0249 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -1.8816 -0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 2.0632 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2688 2.5441 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1452 1.0363 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5355 0.9308 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5629 -0.6718 -0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 18 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 18 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 M END > 655586 > 0.6 > 1 > 29 1 -0.18 10 -0.15 11 0.18 12 0.1 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 0.1 19 0.27 2 0.03 20 0.15 21 0.15 22 0.15 23 0.15 24 0.15 25 0.15 26 0.4 27 0.4 28 0.4 29 0.4 3 -0.57 4 -0.9 5 -0.9 6 -0.15 7 0.13 8 0.23 9 0.05 > 1 > 9 1 2 donor 1 4 cation 1 4 donor 1 5 cation 1 5 donor 3 2 3 7 cation 5 2 3 6 7 8 rings 6 6 8 10 11 12 13 rings 6 9 14 15 16 17 18 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 000A00E200000001 > 61.374 > 45.779 > 10014705 185 18334856117348009045 10411042 1 17976824517213656515 10608611 8 18413385462322588616 10616163 171 18410576227183174982 10680689 15 18334299794212491051 11132069 177 18334857225291244317 11405975 8 18411698798705881440 11471102 20 18130787841738459324 12107183 9 17687177591752798504 12236239 1 17240483606909476552 12390115 104 18126577721511634961 12403259 415 18130224977684494792 12500047 106 18410571790671342575 12616971 3 16805325517755380374 12969540 114 18116413892064147317 13167823 11 18187079555588719018 13214271 11 18342174496564508343 13544592 145 18269284477635087158 13675066 3 18341894133794306152 13760787 19 18259702294234353978 14508225 48 18193262213046401311 14866123 147 17048814283366542650 15042514 8 18262806306323902891 15196674 1 18339079393049858624 15219456 202 18343866623373977630 15242439 84 18343865502545814340 15375358 24 18343585131175407799 17804303 29 18410857685227416593 18186145 218 18113328721806377132 19141452 34 18409450293248201951 200 152 17346595270397551357 20279233 1 18343589533590602742 20510252 161 18342458089303299153 20645477 56 18407760318191038805 20645477 70 17489028146028395078 20681677 155 18260829289141494963 21065198 57 18412262856760903712 21065201 7 18334571356673779418 21267235 1 18336272339927573499 221490 88 18267589185645249056 2215653 11 18202284658701826396 23402539 116 18411974771634326428 23402655 69 18201999915386995316 23557571 272 18341900726584994759 23559900 14 18413388718371814662 26918003 58 18272931626745279752 293599 30 18335983056985233269 300161 21 18408597050639389348 3004659 81 18262523581617184478 335352 9 18410573950807589428 34934 24 18408600340400059595 3545911 37 18412263926086564460 4073 2 18187650254048192866 4214541 1 18410856576824953017 474 4 16589443088574593516 495365 180 17489008419106155290 5104073 3 18412542154410703272 542803 24 17240486909723503116 573450 72 18187070772185277082 59755656 215 18340209588114077126 633830 44 17168148965810928386 67856867 119 18115874173541733820 69090 78 18343016688153889751 77779 3 18411702110183701456 9709674 26 18342744013386203950 > 352.38 11.17 2.01 0.67 6.68 1.06 -0.01 -1.56 0.18 -2.27 -0.13 0.13 0.03 0.76 > 778.716 > 191.4 > 2 5 10 $$$$