71182861 -OEChem-04262409483D 42 43 0 1 0 0 0 0 0999 V2000 -0.3474 1.7263 -0.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5624 0.0020 1.8687 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 -2.2450 -0.6749 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1962 -0.1809 1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -1.3188 1.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 2.1044 0.5922 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 0.2433 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 0.6348 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 -0.7360 0.6589 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2398 1.7488 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 -0.1133 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9777 1.3664 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8938 2.1147 0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4077 0.2524 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2938 0.6869 -0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7386 0.0999 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7613 -1.4376 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 1.0276 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9461 0.4083 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 -1.0986 -0.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0178 -0.4816 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6742 -1.9886 -0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8818 -1.6799 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2500 -1.1358 0.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7308 1.1454 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 -0.1977 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -1.4975 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9429 2.3401 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -0.9814 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 2.9831 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7312 -0.3407 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 0.5571 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9408 -0.2431 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0711 1.3374 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6831 -1.3805 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 0.6994 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5678 -2.9217 -1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6726 -2.4159 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5740 -2.7032 -0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5626 -1.2649 -0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 -2.0866 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1112 -0.7348 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 36 1 0 0 0 0 3 17 1 0 0 0 0 3 39 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 8 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 10 2 0 0 0 0 8 11 1 0 0 0 0 9 17 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > 71182861 > 1 > 2 117 192 164 152 93 120 108 126 9 61 199 123 206 89 55 156 160 166 176 200 151 11 24 202 155 101 51 19 204 95 82 178 187 78 144 23 134 183 188 133 27 74 196 37 139 38 16 190 181 116 44 129 124 32 46 153 92 136 207 150 34 68 132 193 4 31 3 157 171 182 76 205 40 114 113 125 201 118 1 100 162 14 173 12 154 25 122 56 203 143 18 88 98 131 137 165 121 91 49 8 146 195 107 66 185 63 197 128 41 97 142 135 85 65 75 127 77 104 60 159 52 57 33 83 36 53 59 69 80 7 189 177 198 109 50 170 5 84 112 145 81 90 72 42 71 105 86 140 79 29 6 17 70 172 111 169 148 158 96 168 20 161 119 141 58 43 106 15 35 62 115 167 103 26 87 47 149 99 194 186 147 94 191 45 175 67 184 13 138 30 130 179 110 39 180 64 54 48 22 73 28 163 102 10 174 21 > 34 1 -0.36 10 -0.15 11 -0.15 12 0.08 13 -0.15 14 -0.15 15 0.34 16 0.09 17 0.66 18 0.42 19 -0.15 2 -0.68 20 -0.15 21 0.08 22 -0.15 23 -0.15 24 0.28 28 0.15 29 0.15 3 -0.65 30 0.15 31 0.15 34 0.15 35 0.15 36 0.4 37 0.15 38 0.15 39 0.5 4 -0.36 5 -0.57 6 -0.57 7 0.14 8 -0.14 9 0.34 > 8 > 10 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 3 3 5 17 anion 6 16 19 20 21 22 23 rings 6 8 10 11 12 13 14 rings > 24 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 043E2A0D00000002 > 71.8791 > 50.824 > 10 15 16774075193928329616 10319926 262 17989210304592436708 10429389 143 13254806694958562755 106641 1 18343860035922910872 10670039 82 10809333434582456471 10753850 27 18040713675336405816 12166972 35 17676209095244911429 12596602 18 18059850663002709568 13533116 47 18334858372100721040 13668630 136 16515687766793870785 13673619 4 17967530168712618188 13685833 64 18040716978192552264 14123256 34 18333732403579390042 14251757 52 11959734858406311755 14251764 18 18412544340675760676 14528608 73 10881397642748252444 14556957 393 15285932295154506518 15064981 194 8646188395096947895 15183329 4 13695863705958880252 15188451 53 18413102870527696077 15348495 7 17203320169371950826 15475509 35 18261943082342515618 15510800 12 18187663382988237466 15575132 122 10519723171870681115 15706992 2 14692285197262178922 17134984 74 16370442263727224010 17857418 61 18410574006763483293 1979834 28 16988572290377996644 20028762 73 18411134732489068814 2026 5 17096357346820052090 20526848 3 11095881583976776722 21033648 29 14764362513563362441 21150785 3 14418136218713138862 21267235 1 18335143080986825940 21304304 249 18335423465168905318 21365058 113 16226332611964608701 21637258 2 17676479520140817116 21792934 111 18131914854448449233 221357 26 13045935841845871735 22224240 67 15626225715212443653 22956985 138 17977953380716668158 23522609 53 18119562944273670292 23559900 14 17750801132678943997 3004659 81 17603585231776253876 3383291 50 18260830414502853779 351380 3 18259701207259286313 465052 167 18411700985387716404 5104073 3 17916026939881391505 543368 44 9583519824224019831 559249 180 18408040694051793141 5718773 13 18409726304984768863 59682541 52 14779265302787587354 636775 8 18270407058872465086 9953998 17 17275097344947799534 > 458.69 23.01 2.11 1.17 2.32 0 0.12 16.02 8.58 -1.09 -0.05 -0.63 0.18 -0.8 > 970.095 > 256 > 2 5 10 $$$$