60527000 -OEChem-03282411083D 60 64 0 0 0 0 0 0 0999 V2000 5.5957 0.1820 1.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2755 -0.5455 -2.0770 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7600 -2.0222 -0.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7638 2.6447 1.4326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5526 -1.4011 0.4449 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 -1.4360 0.9851 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1244 1.7976 0.3306 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 -1.0450 0.0247 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6309 0.6617 1.6281 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9386 -1.2896 -1.1264 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1926 -2.6618 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 -0.1811 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4223 -2.6086 1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 -0.2079 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 3.5258 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 4.0618 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4489 2.2835 -0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0557 2.7932 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8969 -1.3677 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4503 -1.4257 1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 0.5467 0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1121 -0.4262 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -0.4585 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3618 -2.2444 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -0.5257 1.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5769 -1.3031 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -2.2121 -1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0094 -0.2600 -0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2723 1.0349 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5378 1.5116 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6850 -0.7307 -1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1995 1.8530 -0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6117 0.0843 -2.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 1.3722 -1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -3.5015 0.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -2.8538 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5587 -0.1019 -0.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 0.7204 0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1033 -2.5954 2.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 -3.5289 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 0.6819 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -0.1189 2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6291 4.2470 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0936 3.2445 -1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5758 4.7368 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 4.6017 0.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 1.5296 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 2.5344 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9483 2.9049 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0709 2.4446 0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9046 -2.4229 1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 -1.0875 2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 0.2187 1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7060 -2.9553 -1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 -2.8993 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 -1.9796 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4958 -1.7318 -2.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4131 2.8583 -0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1349 -0.2853 -3.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5902 2.0021 -2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 30 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 8 56 1 0 0 0 0 9 25 2 0 0 0 0 9 30 1 0 0 0 0 10 26 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 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 53 1 0 0 0 0 24 27 2 0 0 0 0 24 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 30 1 0 0 0 0 29 32 2 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M CHG 2 2 -1 10 1 M END > 60527000 > 1 > 3 142 128 74 136 68 177 89 183 186 93 126 117 158 82 99 57 219 180 150 193 218 184 189 72 205 75 23 220 185 79 31 204 38 182 69 95 138 86 108 172 71 73 112 196 135 208 161 199 200 101 164 192 146 132 207 125 43 210 174 59 42 179 122 201 130 60 211 119 103 134 80 159 206 194 16 120 53 151 181 163 63 140 115 198 203 191 148 137 165 56 176 155 44 118 212 149 209 40 157 19 39 92 105 124 154 214 96 133 6 216 170 121 160 114 123 178 213 188 141 83 55 87 37 27 54 41 104 26 109 113 152 143 77 169 90 111 217 76 35 127 33 18 97 28 29 175 62 131 15 34 197 100 7 49 24 17 187 10 58 94 153 171 78 4 70 65 51 110 88 30 98 52 173 139 190 14 129 85 67 202 168 156 166 36 2 8 11 47 167 45 48 116 9 66 81 13 91 61 145 64 50 46 106 195 1 20 215 22 102 32 21 84 147 162 107 144 25 12 5 > 40 1 -0.57 10 0.91 11 0.37 12 0.37 13 0.27 14 0.27 17 0.3 18 0.3 19 0.1 2 -0.52 20 0.33 21 0.54 22 0.09 23 -0.15 24 -0.15 25 0.44 26 0.13 27 -0.15 28 0.1 29 0.09 3 -0.52 30 0.69 31 -0.15 32 -0.15 33 -0.15 34 -0.15 4 -0.57 5 -0.84 53 0.15 54 0.15 55 0.15 56 0.4 57 0.15 58 0.15 59 0.15 6 -0.81 60 0.15 7 -0.66 8 -0.55 9 -0.66 > 8.2 > 14 1 1 acceptor 1 2 acceptor 1 2 anion 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 cation 1 8 donor 1 9 donor 5 7 15 16 17 18 rings 6 19 22 23 24 26 27 rings 6 28 29 31 32 33 34 rings 6 5 6 11 12 13 14 rings 6 8 9 25 28 29 30 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 10 > 039B919800000003 > 118.85 > 71.191 > 10 15 14345800410058855887 10280341 67 17981318208620884328 10554248 39 18201723946590091166 10811444 77 18334853961085003213 10835480 77 18409730694303844560 11386260 185 18343309163296395340 12422481 6 16950562233197692765 12661589 4 12391521871381162708 13553643 44 10303539480208344709 13782708 43 11311788258074350840 13878862 14 18412823603902614948 14556957 393 17489598831218189457 15082195 135 18272940392731670694 15183329 4 18334012753364424475 15350500 55 18115303514090458180 15352257 5 11023829491686778389 15705408 1 17341000805286970486 16096371 109 17532082813363476203 18335252 98 10879989185960312466 20715895 44 18261108586564453160 21033648 29 17530683242393196550 21585482 111 17968939828988979468 21599406 157 15626236692912020413 21814621 53 17095243626664676145 21859007 373 17530953670951262845 2303208 19 10735883854633953979 23081809 10 17275113824900741107 23516275 100 18334848467574743821 249057 25 17417541224173754314 2748736 6 18408317809077685241 2838139 119 18339368474397878515 3663271 9 12468650430014817167 3918712 181 18335411387800263025 4144715 1 17896896532453529322 4169191 19 18336270136340754145 4330586 98 17774711070061668223 44880568 143 18411979127512380261 504579 68 17704079511969891054 5104073 3 12540701439815217227 513202 73 10519716587743513995 6371009 1 18200881678002535170 6700243 42 14189038660029648008 > 646.34 24.84 3.7 1.92 19.69 2.71 0.4 15.48 9.78 -6.13 0.14 2.01 -0.01 1.6 > 1408.244 > 351.7 > 2 5 10 $$$$