70244756 -OEChem-04252408443D 63 66 0 1 0 0 0 0 0999 V2000 2.8457 2.6253 -0.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0918 -0.7166 1.7601 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1004 1.7432 -2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4908 -3.3940 -1.5156 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4477 -5.0093 -0.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -1.4098 -0.3047 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 -0.5757 2.1289 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 0.5002 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3032 0.5108 -1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 0.9100 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5463 1.4158 0.4936 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5524 -0.3565 -1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1027 0.0423 1.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6319 0.0481 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2651 0.8104 -0.1252 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0771 1.7569 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8911 -0.5097 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5445 2.1744 -1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -2.7128 0.1146 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3904 2.2088 1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -2.8798 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 3.0439 -1.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 3.0783 1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5127 -1.8361 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 3.4959 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 -3.8200 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4194 -0.9296 -0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 -1.5941 1.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 -0.1504 0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8213 -0.6966 -1.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9178 0.8543 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7628 0.3050 -1.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3013 1.0673 -0.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 -0.5296 0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5494 0.1417 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 1.5252 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1369 1.9592 1.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 0.8260 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 1.6728 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -0.2771 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2848 -1.4087 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8677 -0.9869 1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8812 0.4019 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4844 -0.6357 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0015 1.0507 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 0.5812 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5257 3.1028 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1893 -1.1646 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 -2.8284 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 1.8942 2.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8579 -2.8498 -1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0041 -3.8705 0.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 3.3760 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 3.4281 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 4.1709 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 2.1333 -3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 -2.0534 2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -0.1903 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -1.2789 -2.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3363 1.4493 1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9663 -4.1405 -1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0756 0.4901 -2.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 1.8411 -0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 47 1 0 0 0 0 2 17 2 0 0 0 0 3 18 1 0 0 0 0 3 56 1 0 0 0 0 4 26 1 0 0 0 0 4 61 1 0 0 0 0 5 26 2 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 48 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 7 58 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 19 49 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 24 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 27 1 0 0 0 0 24 28 2 0 0 0 0 25 55 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 59 1 0 0 0 0 31 33 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 70244756 > 1.2 > 1 129 246 277 177 234 45 84 103 55 211 59 56 162 271 107 120 152 72 82 279 109 141 142 282 125 202 209 97 212 71 195 276 6 274 149 239 232 106 9 226 243 22 164 267 47 256 260 137 179 235 215 249 248 218 221 48 270 160 168 10 38 31 233 145 132 78 89 138 231 216 242 95 214 280 192 44 68 205 90 115 41 250 264 127 281 51 228 178 144 143 206 213 191 278 219 110 46 88 272 236 3 131 4 130 167 64 197 49 8 17 136 204 273 151 237 29 66 261 200 122 283 266 121 171 252 157 102 284 174 184 20 269 76 15 30 32 79 69 81 208 245 108 86 54 63 118 230 257 265 186 147 74 99 37 80 154 240 100 268 253 12 111 7 101 220 238 133 193 153 262 35 148 94 98 52 156 251 176 194 27 175 203 18 166 185 275 128 92 169 93 170 155 225 222 75 42 190 247 188 26 255 83 5 57 36 210 227 163 199 91 23 217 67 165 139 172 16 180 21 39 207 43 189 183 62 117 33 124 73 224 14 173 113 50 259 182 140 85 116 198 159 104 223 53 114 61 105 187 258 123 34 13 60 181 134 19 254 150 263 126 96 2 158 58 161 196 119 25 40 24 229 77 65 11 241 146 70 87 112 244 135 201 28 > 40 1 -0.68 11 0.28 15 0.2 16 -0.14 17 0.57 18 0.08 19 0.36 2 -0.57 20 -0.15 21 0.18 22 -0.15 23 -0.15 24 -0.18 25 -0.15 26 0.66 28 -0.3 29 -0.15 3 -0.53 30 -0.15 31 -0.15 32 -0.15 33 -0.15 4 -0.65 47 0.4 48 0.37 5 -0.57 50 0.15 53 0.15 54 0.15 55 0.15 56 0.45 57 0.15 58 0.27 59 0.15 6 -0.73 60 0.15 61 0.5 62 0.15 63 0.15 7 0.03 > 10.2 > 14 1 1 acceptor 1 1 donor 1 2 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 6 donor 1 7 cation 1 7 donor 3 4 5 26 anion 5 7 24 27 28 29 rings 6 16 18 20 22 23 25 rings 6 27 29 30 31 32 33 rings 6 8 9 10 12 13 14 rings > 33 > 1 > 2 > 0 > 0 > 0 > 1 > 6 > 042FD99400000001 > 65.4193 > 71.2 > 10906281 52 18188494566976819817 11488393 25 18123750855478113106 12422481 6 18263096439257817650 12788726 201 18265041454117085817 14840074 17 18260556622958247832 14856354 85 16153430579394507243 14955137 171 18192731144092094003 15361156 5 18059297686232563220 15815584 197 18338536195572735503 19311894 1 18339641273219300427 19958102 18 18411707561072460326 20028762 73 18201432601451311742 20600515 1 17986974005315852977 20764821 26 17979918202803029042 20775438 99 16474550879350427199 21033648 29 18200026386361890001 21796203 349 16469001089554636555 23559900 14 18339358690584295168 238918 7 18413390917173868678 3027735 51 18341897346493147083 350125 39 18409168822920490552 508706 21 18265912284484385414 5171179 24 17982171115192910430 5265222 85 18335988639783803285 59755656 215 18340769247979747790 7226269 152 18408041840312111040 > 639.82 11.44 4.55 1.73 12.41 3.28 0.03 -1.91 0.01 -1.45 0.85 -0.58 -0.2 0.86 > 1376.152 > 349.6 > 2 5 10 $$$$