56074566 -OEChem-04242407393D 38 39 0 0 0 0 0 0 0999 V2000 -5.9168 -0.7804 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 3.0256 0.2405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3174 -2.5229 0.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 2.2969 -0.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 -0.4804 -0.4325 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2966 1.4799 0.3739 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3717 -0.2887 0.0257 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 0.3241 -0.0138 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7842 -0.3959 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5881 0.7348 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -1.6557 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 0.6057 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9717 -0.8927 0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 -0.6542 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 -1.3130 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -1.7850 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -1.7699 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 0.3877 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 2.0653 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6412 -0.0864 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 -1.3668 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6598 0.7908 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 -2.0980 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3743 4.3791 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 0.6572 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8214 -2.5786 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 1.4679 -0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1471 -2.7919 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 -2.7700 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.0916 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 -2.0761 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.7923 0.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1511 -2.7392 -0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 -2.5371 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5385 -2.0119 0.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 5.0232 0.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 4.6720 -0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 4.4919 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 16 2 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > 56074566 > 0.8 > 1 12 14 9 19 16 3 7 17 13 5 6 15 11 8 4 2 18 10 > 32 1 -0.36 10 0.09 11 -0.15 12 -0.15 13 0.09 14 0.08 15 0.54 16 -0.15 17 -0.15 18 -0.15 19 0.63 2 -0.43 20 0.13 21 -0.15 22 -0.15 23 0.28 24 0.28 25 0.37 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.15 32 0.15 4 -0.57 5 -0.52 6 -0.52 7 -0.55 8 0.91 9 0.12 > 7 > 9 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 5 anion 1 6 acceptor 1 7 donor 6 13 17 18 20 21 22 rings 6 9 10 11 12 14 16 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 5 > 0357A14600000001 > 92.3809 > 45.755 > 10 15 18337382864421053328 10050765 1 18194402186659609306 10411042 1 18194120948708050635 10498660 4 18261668164831565949 10595046 47 18335139770126320306 10670039 82 18261969461894686076 11578080 2 14906803094180619441 11646440 116 18262529186259173979 12107183 9 17613991894563891986 12166972 35 17603585265666514012 12236239 1 17385718088937354186 12390115 104 18199198295008176880 12403259 415 18060127748475448688 12516196 113 18410292553884399979 12596602 18 17240478130820841610 12788726 201 18334287652777652731 12916748 109 18410856560225540442 13073987 5 18336823096780058586 13383665 225 18266202576617927412 13402501 40 18412824720040119994 15196674 1 18338797797840281516 15537594 2 12895356573133329804 15961568 22 18335143124543667604 16087824 20 18338234870385615885 17492 89 18266456503574615683 17844677 252 18339931415972355070 18336668 15 18040435533950532861 18608769 82 18342173414306771570 19611394 137 17971203761879216563 20238998 120 18341328977235945473 20286276 3 18051698741749915535 21236236 1 18411700950300146321 21267235 1 18336551607459918539 21279426 13 18127132975304947174 21304253 13 18343587369855838473 21315763 129 18411699860159031956 21315764 268 18335413578750178340 22122407 14 15285651970812033318 221357 26 18343863320881646200 2297311 6 18411705391443796143 23352939 185 18201723981044762585 23402539 116 18338793519657761758 23557571 272 18411985749560172413 23558518 356 18117568323264559315 23559900 14 18411129264636537089 2747138 104 18334868258940746587 283562 15 18335137554007494435 335352 9 18409163334553225063 34797466 226 17774730844048361476 350125 39 18412545418269706624 3545911 37 18412544331669432290 4214541 1 18339360760536231896 4325135 7 18343584065986712142 46194498 28 17988934366397971620 469060 322 16950283970988414213 5104073 3 18268143172060076466 54039377 194 17843674699099940559 59755656 215 18408887339021581422 7808743 9 18265894644653404248 9996256 80 18412545384226498682 > 448.73 14.79 3.37 0.67 11.39 4.03 -0.01 -3.51 -0.18 -4.1 0.06 0.11 0.04 0.54 > 963.78 > 248.3 > 2 5 10 $$$$