68467183 -OEChem-04252407143D 45 47 0 1 0 0 0 0 0999 V2000 -1.2316 -0.8323 1.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 -2.2102 0.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 2.4269 -0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8985 -2.0977 0.8633 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -0.0402 -1.1277 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 1.6323 1.3001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 0.1902 -0.2445 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8627 0.5406 -1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 0.7868 -0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 0.1176 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 0.1294 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1507 0.6668 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 -0.1147 -1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 1.7122 0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -1.0814 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3043 0.0365 -0.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8147 -0.9059 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4709 0.2420 0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 -1.3409 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -0.7743 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8123 1.3009 -0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 -1.1057 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2143 -0.9834 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0215 1.4233 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7224 0.2813 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 1.0199 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6675 1.4381 -1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 -0.2688 -1.7756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 0.6230 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 1.1427 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 -0.5691 0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 0.5792 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9339 -1.1197 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 2.4221 1.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 2.1999 2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -1.3608 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1050 0.6824 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 -2.1301 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9682 -1.1275 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -2.0924 -0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 2.4021 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -1.6569 2.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 0.3828 1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 3.2068 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4034 -2.8843 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 42 1 0 0 0 0 2 15 2 0 0 0 0 3 21 1 0 0 0 0 3 44 1 0 0 0 0 4 23 1 0 0 0 0 4 45 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 29 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 18 2 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 43 1 0 0 0 0 M END > 68467183 > 1 > 1 218 15 41 71 240 11 116 224 21 188 90 121 92 168 81 195 101 176 70 228 10 231 8 131 109 59 222 122 38 3 103 62 192 118 88 68 80 223 164 63 198 189 214 200 18 69 105 54 249 217 14 171 113 45 234 157 100 46 17 146 243 136 183 73 39 145 144 36 83 169 163 114 4 22 74 225 32 143 156 87 117 193 19 196 55 94 165 126 159 226 160 56 167 119 91 85 23 86 79 2 58 111 186 112 53 98 89 201 43 221 33 30 239 25 50 139 124 227 123 129 179 194 102 31 199 235 158 211 93 12 110 47 191 148 150 57 210 135 190 125 132 137 229 64 154 216 245 40 153 142 177 65 29 133 244 141 247 42 162 20 166 48 149 120 97 175 35 16 213 72 204 242 205 187 66 61 9 138 219 107 60 182 232 99 151 208 206 24 161 184 152 26 95 134 203 170 241 127 7 147 230 44 13 76 28 185 181 67 82 155 51 75 27 96 52 84 173 246 130 77 34 140 233 197 115 215 207 128 5 220 104 236 174 212 248 78 108 209 106 238 6 178 37 172 237 180 202 49 > 37 1 -0.65 11 0.27 12 -0.15 13 0.14 14 -0.3 15 0.66 16 -0.14 17 -0.15 18 -0.15 19 -0.15 2 -0.57 20 -0.15 21 0.08 22 -0.15 23 0.08 24 -0.15 25 -0.15 29 0.36 3 -0.53 34 0.15 35 0.27 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.53 40 0.15 41 0.15 42 0.5 43 0.15 44 0.45 45 0.45 5 -0.9 6 0.03 7 0.33 8 0.18 9 -0.18 > 7 > 12 1 1 acceptor 1 2 acceptor 1 3 donor 1 4 donor 1 5 cation 1 5 donor 1 6 cation 1 6 donor 3 1 2 15 anion 5 6 9 10 12 14 rings 6 10 12 17 18 19 20 rings 6 16 21 22 23 24 25 rings > 25 > 1 > 0 > 0 > 0 > 0 > 1 > 13 > 0414B9EF00000001 > 44.89 > 61.046 > 10 15 17418089940578883508 10595046 47 18202567267560432871 11135926 11 18040149609794398099 11315181 36 18272932739722187917 11524674 6 15791733022871690435 11724838 91 18271803562459997100 11991303 11 16515978059096724699 12166972 35 18259705605586080828 12236239 1 18411421713618413237 12596602 18 18413669093509895840 13533116 47 18334857191485406962 13668630 136 16805045125010207835 13914758 101 17385716968425721845 14251758 9 16515405174930588074 14251764 18 18411418427942103380 14849402 71 18129379461506395192 14856354 85 17703507787899658599 14933364 13 17346602975774810180 15183329 4 18410295817679489978 15716309 27 18412262835423184887 1577012 14 18413395336489663292 19377110 9 18201438060555405759 20567600 75 15285353998913605171 21315764 268 18261108591092237300 23081809 10 18260276239035248804 23536379 177 18131634469406526502 23559900 14 17895759628856187293 23569917 315 18113345219077611499 23569943 247 17751913623824853890 23622692 88 16370728140613155266 29717793 49 11097850775364423696 34797466 226 16056887969840080492 3663271 9 18272651229710408442 4073 2 18042408100876603642 4325135 7 18131914875305710789 4340502 62 17489588944208560334 59755656 215 15719386218330898290 9996256 80 18343299275358156013 > 481.05 21.19 1.8 1.21 8.59 0.1 0.08 -1.98 3.18 0.98 0.23 -0.31 -0.06 -1.67 > 1040.041 > 263.5 > 2 5 10 $$$$