57207714 -OEChem-03292406443D 48 51 0 0 0 0 0 0 0999 V2000 -1.9767 -4.7754 2.3137 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2037 1.7515 -0.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7527 4.1191 -0.1177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 0.4385 -0.0471 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 0.3891 0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 -0.7506 -0.1487 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 1.6578 -0.0696 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 1.5350 0.6589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0359 -0.8385 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 1.6629 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 -0.6261 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 0.4470 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 0.4845 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0332 -0.6990 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 1.6733 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 -2.0116 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.5126 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 2.8780 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 1.7307 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1164 2.9144 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 -2.6830 0.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -2.6032 -1.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5663 -3.9460 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4869 -3.8662 -1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -4.5376 -0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8704 0.4916 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 4.6510 1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 2.5011 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9588 1.3447 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -1.3009 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -1.5374 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4683 2.0229 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9535 2.4102 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0289 -1.5714 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -0.3355 -1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1062 0.5097 -0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6992 -0.4321 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 3.8151 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 -2.2228 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.0929 -2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6854 -4.3268 -2.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2795 -5.5212 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 0.6980 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6851 -0.1081 0.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6288 -0.0486 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6021 5.6084 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 4.8220 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 3.9758 1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 36 1 0 0 0 0 6 12 1 0 0 0 0 6 14 2 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 16 1 0 0 0 0 15 18 2 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > 57207714 > 0.8 > 2 4 5 1 6 3 > 32 1 -0.18 10 0.27 11 0.27 12 0.72 14 0.31 15 0.31 17 -0.15 18 -0.15 19 0.08 2 -0.36 20 0.08 21 -0.15 22 -0.15 23 0.18 24 -0.15 25 -0.15 26 0.28 27 0.28 3 -0.36 36 0.36 37 0.15 38 0.15 39 0.15 4 -0.84 40 0.15 41 0.15 42 0.15 5 -0.9 6 -0.62 7 -0.62 8 0.37 9 0.37 > 5.2 > 10 1 2 acceptor 1 3 acceptor 1 5 cation 1 5 donor 1 6 acceptor 4 4 6 7 12 cation 6 13 15 17 18 19 20 rings 6 16 21 22 23 24 25 rings 6 4 5 8 9 10 11 rings 6 6 7 12 13 14 15 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0368EBA200000002 > 104.4452 > 50.783 > 10050765 1 17547291108825310417 10074138 170 18265313144867477226 10119406 146 18339928109069648878 10411042 1 17907012138297783102 1100329 8 18265330788793861317 11991303 11 18186803577721709263 12107183 9 17834695055569484147 12160290 23 18192401221578205454 12553582 1 17690288531176286886 12788726 201 18265316451776471514 12930653 34 18196375819148942157 13140716 1 18122345941278179808 13540713 5 17480565059433758853 13690498 29 18197519500652537310 13757389 114 18264507143174360852 138480 1 16970830286914991782 13955234 65 17545893624485847753 14790565 3 18196372520334373356 14844126 61 18267856349986751554 14866123 147 18408598192985438402 15042514 8 18337674242753467447 15775530 1 17915209925301284910 15927050 60 18339642218460551070 16087824 20 18340201990854838303 1813 80 17693959770315405734 19591789 44 18267582394990828166 20101258 96 18123193673591202762 20197701 30 18337103445662753069 21033648 29 18271513200980433520 21041028 32 17831301975005838535 21120745 212 18048335610605837972 21133410 90 16986601008212110907 21133665 82 17981610360970247022 21796203 349 17252894035402916938 23366157 5 17469893177428983949 23559900 14 18343579643299044524 23598288 3 18191879030817184614 283562 15 18340482275714618673 3091708 16 9127380823459240313 3380486 145 18123482832158989377 3383291 50 18267016155568173394 4058900 60 18120098286208161837 4073 2 18408602592181247802 5309563 4 17688872355899904402 59025328 239 16909156983085456134 59755656 520 18334851684873103638 6138700 20 17548421406446036998 6376802 137 17559961103270235995 70251023 43 17404286890521554727 77188 2 17834956755877225686 79837 15 18410019797126551377 9709674 26 18343865520327038198 9841814 1 16752692660648477779 9981440 41 18264210201640297113 > 525.85 9.2 6.95 1.18 17.42 1.57 -0.33 -2.76 -0.51 -10.84 -2.02 -0.92 1.52 0.61 > 1140.155 > 290.1 > 2 5 10 $$$$