66840265 -OEChem-04242418473D 62 67 0 0 0 0 0 0 0999 V2000 5.1148 5.5720 -0.4516 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 -3.8734 -1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 -0.7025 -1.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 -1.6178 -0.7369 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 -2.6992 -0.6249 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 -0.4693 -0.9586 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2098 -0.1058 -0.3262 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 0.7185 1.1888 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6746 -2.6299 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 -1.9158 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 -3.0854 -1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 -2.2729 -1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2397 -0.9386 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6738 -1.2452 -2.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 0.1128 -0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6485 -3.0848 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5756 -2.5217 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6231 -0.2727 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -1.1340 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1594 0.5190 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 -3.3622 1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -0.6423 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1611 -2.8387 2.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 -1.4602 2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7354 0.9894 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3017 1.9005 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5254 -0.1101 1.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 2.3382 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8103 2.6528 1.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0339 0.6421 2.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1765 2.0236 2.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 3.3227 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2086 2.6574 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1723 4.6264 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 3.9611 -1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 4.9456 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.4375 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -2.1411 1.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 -0.8414 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1546 -2.5121 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -4.1564 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1862 -3.0426 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -2.7692 -2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4828 -0.4283 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7426 -1.6650 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4649 -1.7505 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 -0.5339 -2.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7463 0.9170 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 0.5650 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 -4.4404 1.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6956 -3.5148 2.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 -1.0516 2.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 1.3909 1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0188 2.4009 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4175 -1.1858 1.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9209 3.7284 1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3186 0.1524 3.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5724 2.6093 3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 3.1055 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4281 1.9060 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9668 4.2100 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 5.9607 -1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 25 2 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 23 2 0 0 0 0 21 50 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 30 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 34 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 36 2 0 0 0 0 35 36 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > 66840265 > 1 > 1 59 64 188 228 198 114 71 253 223 127 76 154 248 233 177 251 219 186 37 144 131 118 97 66 31 155 231 134 182 56 123 107 250 236 199 84 256 136 61 238 218 89 181 232 148 235 240 63 108 13 189 196 32 184 222 115 165 45 156 40 124 54 257 101 78 47 69 65 26 158 129 207 226 85 41 237 178 255 17 103 211 169 137 204 48 160 162 172 68 113 229 126 205 187 203 171 62 44 159 185 244 150 86 254 27 157 28 106 167 133 73 15 241 164 125 194 121 217 72 102 220 225 96 109 147 23 29 180 252 138 221 79 193 132 239 146 57 14 153 49 183 208 234 88 22 60 18 190 90 100 50 247 119 151 152 98 67 200 21 195 94 83 75 93 224 34 142 81 116 145 52 25 202 92 36 216 243 260 258 130 38 46 141 135 230 6 30 74 82 149 166 16 191 214 176 139 173 95 175 161 110 245 227 206 249 105 197 117 53 80 33 70 19 91 174 87 120 12 111 210 51 259 209 215 5 39 4 213 35 7 168 122 143 24 128 140 201 170 104 11 8 112 3 55 42 246 10 212 192 2 179 20 242 9 77 43 99 163 58 > 49 1 -0.19 10 0.22 11 0.22 12 0.27 13 0.27 14 0.3 15 0.3 16 0.54 17 0.09 18 0.54 19 0.23 2 -0.57 20 0.09 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 0.13 26 -0.15 27 -0.15 28 0.05 29 -0.15 3 -0.57 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 0.19 35 -0.15 36 -0.15 4 -0.75 5 -0.51 50 0.15 51 0.15 52 0.15 53 0.27 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.66 60 0.15 61 0.15 62 0.15 7 -0.57 8 0.03 9 0.21 > 8 > 11 1 2 acceptor 1 3 acceptor 1 4 cation 1 8 donor 3 7 8 25 cation 4 5 9 10 11 rings 5 7 8 19 22 25 rings 6 17 19 21 22 23 24 rings 6 20 26 27 29 30 31 rings 6 28 32 33 34 35 36 rings 6 4 6 12 13 14 15 rings > 36 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 03FBE6C900000001 > 98.979 > 55.932 > 10049733 57 18189042119483399005 100830 2 18272097132065015697 10675989 125 18411423946733037752 11479125 193 18266186204540263753 12061779 8 17415314773510700129 12422481 6 18334293124740379157 13512321 179 18272085033347820240 13782708 43 16732704913782715051 14251764 75 18267311017393007685 14400156 260 18334294284988424704 15400415 2 17830167270733200396 15448158 71 18196656409256264762 15840311 113 17559397947263768467 15950262 2 15768339865129843474 16728433 281 17324376584929279044 17899979 129 18263372528784122496 19302320 297 18339083683780274985 21298829 104 18201995525698232600 22122407 14 18336551602806067067 24204213 163 18201145561500219866 24771293 8 18272357651648194050 249057 25 18272639174249113151 3103668 31 17476088921520967174 3680242 22 18410289190333903747 394071 54 18410012126125017290 397830 11 18262252079538763411 4112364 45 18342469127806930837 4173938 77 18337402611868797157 4408954 64 17392187431094199394 5364581 5 18337965558423426459 53794403 172 18411425033163974462 57724786 102 18410291440849417494 5951187 136 18200329800232229628 6058803 2 18197478826764533566 6609424 69 18052260600670316116 6636735 143 17822017472379290665 9896288 288 17614571758288311378 > 696.95 19.51 6.72 2.02 34.78 8.37 -0.71 8.52 -10.61 -13.84 2.39 1.77 -0.78 -5.26 > 1546.056 > 373.2 > 2 5 10 $$$$