66882210 -OEChem-04232418443D 47 48 0 0 0 0 0 0 0999 V2000 -0.1829 -2.8113 0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 2.6447 -1.7825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2346 1.6892 1.8244 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2801 2.1742 -0.1012 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8133 -0.9743 -0.4027 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0881 0.5351 1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5313 1.7376 1.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9101 -0.5582 -1.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5888 0.5298 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 -0.4684 0.2898 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6546 -0.6314 -0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0729 -2.2280 0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -1.0527 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 -1.2191 -0.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9623 0.4466 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2612 -1.9879 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 0.0125 0.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -0.3008 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 -2.6492 1.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 -2.0617 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -0.8311 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -2.3011 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -1.4576 -0.9252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9453 1.8368 -1.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4889 1.2140 1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 0.3603 -1.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6932 1.4833 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 3.9981 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1492 2.8707 2.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6647 -0.8975 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9395 0.2536 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 0.4433 -2.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -3.4342 1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0143 -2.4005 1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 -0.6132 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -3.2011 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 -1.7729 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5939 1.3619 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2163 2.4378 -1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0617 1.5071 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5383 1.3294 -1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 4.5316 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2567 4.0270 -0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8969 4.4834 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6617 3.7013 2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 2.6850 3.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0929 3.1274 2.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 30 1 0 0 0 0 15 24 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 26 27 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 M CHG 2 5 -1 10 1 M END > 66882210 > 1 > 1 88 193 67 178 216 242 200 23 136 170 185 247 175 243 7 73 135 74 176 128 188 11 125 151 85 140 161 126 72 58 147 223 112 17 148 139 109 233 4 83 89 92 24 21 2 62 61 113 234 240 149 76 167 115 232 71 166 82 108 116 69 172 127 51 236 103 159 212 186 210 150 121 10 104 119 52 6 239 228 184 157 122 117 64 137 189 75 238 249 246 145 174 26 86 77 196 55 65 220 195 191 164 79 133 169 241 18 70 171 63 153 110 183 9 111 29 230 39 25 114 59 100 206 28 81 144 118 154 226 209 162 97 177 66 78 34 165 214 50 56 87 205 105 168 38 219 46 96 107 36 179 204 182 218 40 190 5 141 250 229 130 3 198 201 237 134 90 20 197 80 142 48 15 143 132 57 37 181 227 235 217 207 215 42 84 222 129 221 8 123 202 199 106 12 163 54 194 14 27 93 22 152 231 158 244 68 187 31 101 245 208 102 213 60 95 203 44 155 131 49 94 19 124 30 35 33 173 180 248 45 160 138 225 211 224 156 47 192 91 41 99 146 120 98 13 53 43 16 32 > 36 1 -0.17 10 0.91 11 -0.14 12 0.08 13 0.13 14 -0.15 15 0.2 16 0.08 17 0.09 18 0.12 19 -0.15 2 -0.43 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 0.66 25 0.63 26 0.57 27 0.06 28 0.28 29 0.28 3 -0.43 30 0.15 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.37 4 -0.57 5 -0.52 6 -0.52 7 -0.57 8 -0.57 9 -0.55 > 10 > 10 1 1 acceptor 1 4 acceptor 1 5 acceptor 1 5 anion 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 donor 6 11 12 13 14 19 20 rings 6 16 17 18 21 22 23 rings > 29 > 0 > 0 > 0 > 0 > 0 > 1 > 9 > 03FC8AA200000001 > 100.0468 > 50.831 > 10670039 82 18059013870071511922 11513181 2 17557714555510632606 11640471 11 18410022021846264018 12166972 35 18265042557474826475 12236239 1 18338789027538883255 12788726 201 17989218040150491809 13583140 156 17821739316516053171 14468879 13 17531251711812129293 14931854 50 18199481011351976628 19026451 147 18060129977014894053 192875 21 18343304773169560880 20511986 3 18341598343681165501 20715895 44 18335694997596531965 21033648 29 16443070533847890140 21133410 90 17913458317189402657 21298829 104 18408318861096908700 21864079 5 18195837204258076120 22122407 14 18187937119061315837 23557571 272 16845571980906267395 23559900 14 18202566168075906582 4409770 3 15240335208390314015 44880168 125 13335001807911144480 465052 167 9510876242255234095 474 4 18333453135978921674 57724786 102 17168430466736772380 5895379 119 18058751134295400932 6328613 192 18336276742959986324 6371009 1 18410852135823968440 9981440 41 17902231449218853802 > 539.89 12.75 3.73 1.91 8.03 2.16 -0.68 4.44 5.22 -3.29 -0.11 0.84 1.48 -2.87 > 1149.249 > 300.1 > 2 5 10 $$$$