70273587 -OEChem-04262406283D 45 49 0 0 0 0 0 0 0999 V2000 -3.2769 -0.8228 1.0194 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -0.5095 -0.5962 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -0.0696 2.1305 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9762 0.3557 2.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 1.7812 -0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 2.5439 0.0058 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 -2.7000 -0.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0592 -0.9062 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5191 -1.4284 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 -0.1425 1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5938 -0.6371 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1173 0.0028 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -1.5527 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4603 -0.4623 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -1.3999 -1.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2419 0.1999 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8948 0.5242 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 1.2765 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2034 0.4374 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5874 -0.4690 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 -1.1213 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0785 -1.3776 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 0.9913 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -0.3198 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0739 1.3305 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4577 0.4241 -2.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2009 1.3238 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 2.7275 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -1.8520 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2957 -2.2792 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7656 0.5872 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 -2.1425 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1289 -1.8897 -1.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -1.1852 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0457 -1.9627 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1191 0.4504 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0129 -1.1635 -2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 1.8014 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 -0.4981 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6535 2.0303 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5564 0.4193 -3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8787 2.0190 -1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9957 3.7507 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5513 -2.8824 -0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 -3.4682 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 2 34 1 0 0 0 0 3 4 2 0 0 0 0 4 10 1 0 0 0 0 5 17 2 0 0 0 0 5 28 1 0 0 0 0 6 18 1 0 0 0 0 6 28 2 0 0 0 0 7 22 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 13 15 2 0 0 0 0 13 32 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 18 23 1 0 0 0 0 19 25 1 0 0 0 0 19 36 1 0 0 0 0 20 26 2 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 27 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END > 70273587 > 0.8 > 1 77 67 38 78 51 46 23 99 61 88 81 82 40 45 18 71 35 90 33 17 91 102 60 70 54 85 89 52 50 73 76 13 3 25 32 79 101 11 93 8 87 97 72 94 98 22 49 27 42 19 86 4 59 43 100 63 34 53 16 96 75 28 10 83 7 5 29 6 95 55 74 84 80 14 66 65 64 57 36 26 12 20 92 62 41 68 39 15 2 58 30 9 37 48 56 24 69 47 44 31 21 > 42 1 0.31 10 0.23 11 0.1 12 -0.15 13 -0.15 14 -0.14 15 -0.15 17 0.41 18 0.31 19 -0.15 2 -0.6 20 -0.15 21 -0.15 22 0.1 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 0.47 3 -0.42 31 0.15 32 0.15 33 0.15 34 0.4 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.23 40 0.15 41 0.15 42 0.15 43 0.15 44 0.4 45 0.4 5 -0.62 6 -0.62 7 -0.9 8 -0.15 9 0.4 > 4 > 10 1 2 donor 1 7 cation 1 7 donor 3 2 5 17 cation 3 5 6 28 cation 5 1 3 4 8 10 rings 6 14 19 20 25 26 27 rings 6 16 18 21 22 23 24 rings 6 5 6 16 17 18 28 rings 6 8 10 11 12 13 15 rings > 28 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 04304A3300000001 > 99.436 > 51.025 > 10 15 13190336843300716615 10319926 262 16732990864093638089 10554248 39 18272376377663173324 10674148 151 15430037648182254896 10763959 59 18187085095811934644 11135926 11 16917072132019815895 11186622 174 18412545384358153134 11297750 10 17697031810684325035 11719270 70 17703792500770455686 12166972 35 18059855073644381256 12236239 1 18202004352025168322 12788726 201 13407060509992495246 13540713 5 16700069128248456099 13878862 14 18341600564802386348 13914758 101 18409730625547373089 14068700 675 16845289449842648585 14294032 229 16844746213541079273 14444916 359 13479126857274370064 14674994 50 11959151091347996029 14767858 380 17203608199054083823 14849402 71 11819575722031903719 15131766 46 17976259355299233476 15142383 8 18186518809322590620 15183329 4 18408317770549326545 15328829 1 17704064084379402878 15419008 47 17821725026801449453 15461852 350 16200435771419196476 15475509 8 15647338489975702702 15537594 2 11819273394782573016 15716309 27 8502655909486708151 1577012 14 17775298157171629888 16992727 255 17702950224057311681 18335252 114 18411128130738797509 20105231 36 11819271118877700680 20511986 3 17988353892756312454 21033648 29 17676763292613931088 21223535 225 18264205816985460397 21756936 100 16805319995139665555 21774942 28 17774167786341625193 21814621 53 18114184176302131881 21859007 373 18113611257603191172 23559900 14 18336547213059210474 24771293 8 15339120160714596802 249057 25 17704081680965571880 2838139 119 18408884036523903909 3633792 109 18342456993648710471 4073 2 17968946430310885218 4093350 32 17603858962747992034 4098825 35 18410573994775678955 4144715 1 17605566654592541289 4280585 95 16056589968319195153 4325135 7 12247676075863435561 504579 68 18059866103531704628 5385378 56 16081360813661524681 57724786 102 17241895478481832612 58902169 19 18130780170441605357 59755656 215 17458340819156747434 6126387 218 18334286557845802576 6371009 1 17775289365247227840 7226269 152 16805318895195560373 > 541.36 21.93 2.09 1.44 4.32 0.59 -0.28 3.19 5.1 -3.01 0.3 2.88 0 0.73 > 1216.623 > 282 > 2 5 10 $$$$