69924969 -OEChem-04232404143D 65 68 0 0 0 0 0 0 0999 V2000 -4.9392 1.6854 1.5926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 1.7484 2.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 1.6548 -1.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6202 0.0593 0.5999 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 -1.6493 0.4195 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -1.8311 -0.0548 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9869 0.3161 0.2542 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 2.3029 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -0.6249 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -0.9321 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -1.1855 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 0.3075 -0.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -1.8681 1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -0.3760 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9809 -1.0268 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8479 -0.4310 -0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3501 0.1776 -0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 -1.2065 -0.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6703 1.2023 1.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6465 0.8775 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4018 -2.0959 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8551 -0.0552 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -1.3605 -1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 0.8874 0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5886 0.3840 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 -1.7284 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7616 -0.0983 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4530 -2.2108 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1938 -1.3957 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 3.0659 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 2.9934 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0049 2.4137 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -1.4679 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -0.1020 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -0.4003 2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -1.9057 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 0.6352 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 1.2187 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0282 -2.2064 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -2.7713 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1735 -1.1878 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6442 0.3420 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -2.6586 0.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6002 1.3020 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 1.7004 0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 -2.5118 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 -2.9365 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0865 -0.2729 0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7341 0.4418 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4668 -2.0010 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3562 -1.1461 -2.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7181 -2.3742 0.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 0.4750 -2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7903 -3.2205 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9627 2.4665 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1072 -1.7723 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8518 4.1252 -0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 2.6985 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 2.9978 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 3.9702 1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 2.4228 1.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 3.1519 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5342 3.3962 -2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0014 2.5864 -1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0437 1.9664 -3.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 55 1 0 0 0 0 2 19 2 0 0 0 0 3 25 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 15 2 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 24 2 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 25 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 52 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 M END > 69924969 > 1.2 > 1 96 36 140 52 155 135 3 127 105 93 103 20 113 145 109 22 99 42 143 77 116 13 130 68 76 69 104 56 141 114 123 81 33 80 47 129 27 142 137 111 45 115 84 95 133 87 98 78 70 21 146 73 153 106 139 110 61 40 121 134 54 136 65 2 32 30 147 63 150 8 48 152 44 90 126 100 112 58 144 23 74 151 50 59 31 154 12 149 97 122 60 11 85 132 67 101 71 82 125 64 148 92 17 46 102 131 25 37 72 107 16 91 55 18 89 24 15 49 128 62 35 94 88 4 138 39 51 75 119 53 124 10 38 83 6 117 7 57 41 9 66 19 29 118 14 28 108 79 26 120 5 34 86 43 > 32 1 -0.65 10 0.37 15 0.72 16 0.12 17 -0.14 18 0.17 19 0.78 2 -0.57 20 0.14 21 0.14 24 0.41 25 0.08 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 0.37 31 0.37 32 0.28 4 -0.48 43 0.4 5 -0.87 52 0.15 53 0.15 54 0.15 55 0.5 56 0.15 6 -0.62 7 -0.62 8 -0.84 9 0.3 > 9 > 9 1 2 acceptor 1 3 acceptor 1 5 donor 3 1 2 19 anion 4 5 6 7 15 cation 6 16 25 26 27 28 29 rings 6 17 18 20 21 22 23 rings 6 6 7 15 17 18 24 rings 6 9 10 11 12 13 14 rings > 32 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 042AF86900000001 > 131.1207 > 45.697 > 10 15 11241973659705260383 10595046 47 18272935985757790338 10763959 59 17967817141564011244 11007060 377 18113623399734329651 11101153 10 18202284736238636825 11315181 36 18412829079933208643 11386260 185 18409731794469996804 11991303 11 17845644971342051951 12082328 90 17775569701999471975 12166972 35 18411703213679670873 12236239 1 17917716777647612234 13673619 4 15697994150598605211 13782708 43 15841541986073397855 14556957 393 17703795799606162321 14856354 85 17346313839241140935 150020 25 18335977653948088623 15003188 100 18336264626166004542 15064981 194 18264225758111991435 15064986 266 18334576833706647367 15183329 4 18410013204615762362 1577012 14 18201445735751394586 21033648 29 17676483947582420116 21133410 127 17753887530469952692 21623969 137 10159694711936251612 221357 26 18410012122726920332 23516275 100 17823688866301903573 23559900 14 18409450314775792786 23569943 247 17910966734311460034 23576562 1 17532103863261995966 249057 25 18059868263441357584 249057 3 18272933851976754414 335352 9 18410581700263389478 34797466 226 18343302583052946175 3552219 110 18339935904962155785 3633792 109 18334292063529840501 4015057 19 18340212980578987785 4073 2 17896044398542488338 42767 28 18408600362101457795 44317340 157 18201433730953999857 497634 4 18341611495715077021 504579 68 18272650126014622117 563151 97 17749944459024264931 6086070 43 18261663775691422648 6691757 9 14057010412600883049 7226269 152 14056997209670798959 77296 10 18339361980301851487 999808 66 12031782574330500629 > 616.03 23.74 2.84 1.52 5 1.61 0.26 -1.45 -10.07 1.14 -0.05 -1.95 0.67 1.09 > 1308.745 > 336.7 > 2 5 10 $$$$