2833925 -OEChem-04192422473D 38 40 0 0 0 0 0 0 0999 V2000 -0.5108 2.1369 0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -2.5211 -0.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -0.0981 -0.2075 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 -2.6286 -0.3157 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 -0.7137 0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6685 0.5765 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8268 0.3366 1.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 1.6483 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5835 1.0669 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6359 -0.2263 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -1.4087 -0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 1.0671 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5569 1.0300 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -0.1860 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -1.4542 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 2.2270 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 -0.2074 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6678 2.2017 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 0.9862 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -3.8332 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3081 -1.1602 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 -1.5188 0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2343 -0.1650 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 1.0332 -2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 1.0665 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 -0.1386 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1765 2.0937 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 2.4575 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2692 0.3697 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1942 1.8679 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6028 -2.6192 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 3.1877 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1862 -1.1422 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 3.1305 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 0.9675 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 -4.3353 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8956 -4.5369 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -3.6657 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 4 31 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > 2833925 > 0.6 > 1 2 4 3 5 > 22 1 -0.57 10 0.11 11 0.11 12 0.47 13 0.09 14 0.09 15 0.47 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 0.37 3 -0.84 31 0.4 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.87 5 0.37 6 0.37 > 3.2 > 8 1 1 acceptor 1 2 acceptor 1 3 cation 1 4 cation 1 4 donor 6 10 11 12 13 14 15 rings 6 13 14 16 17 18 19 rings 6 3 5 6 7 8 9 rings > 20 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 002B3E0500000001 > 63.9763 > 40.618 > 10411042 1 17330554242395849527 10493431 412 18340490087579212984 10608611 8 18262234413720901109 10967382 1 18411417285158932196 1100329 8 18337382743629887786 11471102 20 18411979126652225004 11543360 7 15051447275407325680 12236239 1 17561363959663492373 12390115 104 17909281509155141552 12553582 1 17330558644351705786 12730499 353 18335700491160442285 13140716 1 18267581489264301906 13583140 156 16806142467526823652 138480 1 17906451022168673038 14178342 30 17906438180622400008 14787075 74 17987240109042103763 14790565 3 18338812173075690188 15196674 1 18411418449095088844 15219456 202 18261394403995790397 15309172 13 18410858776138404449 15375358 24 18261108548120958217 16945 1 18411978061990738062 1813 80 17270332967997256062 18186145 218 18343588447048357300 18219364 16 18409733967221826921 19049666 15 17899416381539699317 19591789 44 18337956791361609074 20157964 124 18339922590252684461 204376 136 18411139160003465803 20510252 161 17694220380250769376 20645477 70 18198052591354922127 20739085 24 18192168017829105544 21033648 29 18338784697784782584 21524375 3 18271805773851267591 21731228 192 18410296951308412539 23184049 59 18410014346781611736 2334 1 17979350095136820878 23402539 116 18201431506620077988 23493267 7 17894623755855864224 23559900 14 18047746010031847203 238 59 17758067667387139285 25 1 18412258441487141652 2748010 2 18335425642511128343 3091708 16 9406892076845810018 335352 9 18411699868595862758 350125 39 17979077407183325393 474 4 18341894056880527305 495365 180 18267845230152696657 5104073 3 18338229492157848416 58807428 26 18337380613262234098 633830 44 18131360678247920261 7226269 152 18059851796969521408 7364860 26 18267302019568170550 77492 1 17489582325700554901 7808743 9 18047757280559288572 81228 2 17615957142322156763 8272917 22 18270684143410741189 > 389.89 7.54 3.22 0.88 1.68 2.97 0.02 -4.74 0.96 -1.03 -0.01 0.81 -0.11 0.49 > 847.147 > 211.3 > 2 5 10 $$$$