56840757 -OEChem-04252402073D 43 45 0 1 0 0 0 0 0999 V2000 5.7381 1.5182 1.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0398 -0.3651 0.1754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -0.0139 -1.4032 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9369 -1.7567 1.3377 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6274 1.2441 -1.1078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 1.0798 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4014 0.0894 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 -0.5782 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 -0.0286 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 0.0999 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -0.6866 -2.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2082 -0.5350 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 -1.8371 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 0.8074 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5568 -0.9745 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6663 1.3757 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -2.3773 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3605 0.1391 1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 0.6975 0.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 -1.0842 -0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8252 2.0269 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 -0.2482 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6732 1.4075 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8796 1.9839 -1.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 1.6577 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 0.7765 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3359 2.0654 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.3837 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9874 -0.9085 -0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 -1.4719 -2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 -1.1431 -3.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 0.0125 -3.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 -2.3914 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 1.5451 1.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -1.6300 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0652 1.8843 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6387 -3.3581 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0415 -0.3248 1.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 -1.8251 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 3.0082 -0.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5810 1.9072 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 2.1058 2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3149 -1.0698 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 42 1 0 0 0 0 2 22 1 0 0 0 0 2 43 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 15 35 1 0 0 0 0 16 21 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 23 1 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 56840757 > 0.8 > 17 45 28 13 99 123 6 111 150 129 21 104 101 58 97 96 145 86 121 139 162 130 44 95 92 131 83 102 140 138 15 30 57 161 152 70 46 169 128 108 32 91 18 122 166 43 165 73 81 112 41 153 62 167 56 10 160 105 22 147 149 76 103 35 42 141 71 52 132 31 2 68 33 158 106 63 148 9 36 109 77 16 137 34 82 151 84 14 49 163 27 98 50 74 124 64 1 90 118 5 37 7 85 127 144 26 119 75 67 4 115 164 51 136 110 94 142 60 168 47 38 125 23 3 114 12 135 154 133 24 53 78 100 117 48 8 69 72 120 79 146 40 54 126 143 93 134 61 156 107 113 65 87 11 157 159 80 155 29 89 19 59 55 25 88 20 116 66 39 > 32 1 -0.53 11 0.37 12 0.31 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.16 18 -0.15 19 0.08 2 -0.53 20 -0.15 21 -0.15 22 0.08 23 -0.15 3 -0.84 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.62 40 0.15 41 0.15 42 0.45 43 0.45 5 0.37 7 0.14 8 0.1 9 -0.14 > 5 > 7 1 1 donor 1 2 donor 1 3 cation 1 4 acceptor 6 10 12 16 18 21 23 rings 6 4 8 10 12 13 17 rings 6 9 14 15 19 20 22 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 35 > 0363523500000011 > 84.0463 > 35.557 > 10319926 262 18336559277944273183 10591671 39 13470403409223283197 10928967 22 16370993148658613848 11045977 3 18341891905007291384 11089746 13 14117511048350741170 11112241 14 18131061653960939571 11370993 144 18272651242558380302 12166972 35 14979659027542808465 12236239 1 15051729772870693390 12553582 1 16588018043467213326 12596602 18 17917994996496060123 12616971 3 16515407382670476590 12633257 1 17967536791530777551 13583140 156 17560235954753358243 13668630 136 13551189966429834192 13675066 3 18342177777824492452 14251764 30 13623823756010724681 14341114 176 18413109459572225424 14420673 8 18114750338796690074 15183329 4 13758085095409464852 15209289 33 17022624195380760769 15348495 7 18339922714226085088 15537594 2 17022619762805842810 16110190 28 18186808010191391796 17780758 139 18113054952275419057 17844677 252 18335989743890649504 1813 80 16009040470662416687 19377110 9 16225765238137018308 19438510 23 17415013357428082169 200 152 13551187784122016020 21033648 29 17988632008535945752 21315763 191 15285366123758912001 21403212 168 18113620041829344593 21792961 116 18059016069880309332 22122407 14 16988850500657433585 22950370 63 15430043162223872309 23035841 295 17822009792418745122 23522609 53 16517118153917498868 23559900 14 18342457036956949920 23622692 88 18113058233957403149 2767999 5 15052014550239489152 2838139 119 16415478225272250009 3383291 50 18041568039734004555 351380 3 16370445561766266826 4325135 7 13045950096494180000 474 4 15267071323861517455 5104073 3 17968663838131032928 5364581 5 18193269921901670720 5385378 56 18192724345559830003 5486654 36 17313679255659213539 57724786 102 17060353936677099056 5924683 9 18200028585739183471 6034566 193 16988278802034958388 7226269 152 18271527498947296857 9995097 60 18343023281013052466 > 451.63 15.88 1.89 1.58 15.48 0.4 0.58 -2.75 -6.77 -2.08 -0.33 -0.11 0.04 1.54 > 978.304 > 247.6 > 2 5 10 $$$$