1173246 -OEChem-05062408413D 50 53 0 0 0 0 0 0 0999 V2000 -3.5002 1.6338 -0.0861 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 3.8244 0.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 -1.1792 -1.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 -0.5880 -0.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 -0.7539 -0.3889 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4259 -0.9687 -2.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3098 -0.0509 -2.0128 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 1.9562 -0.7903 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 -0.9666 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3389 -1.8923 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -1.3913 -1.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -0.3024 2.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5718 -2.3351 -1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3187 -2.1483 2.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -2.5714 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0521 0.0666 -0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 -0.5690 3.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -1.4871 3.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 0.3933 2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 -3.0632 -2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 -3.1162 2.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4641 2.7178 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 2.9127 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 1.8314 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 0.8061 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 2.7383 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 0.6843 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9510 2.6163 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 1.5894 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0832 -0.3870 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8733 -3.2810 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 -0.1042 4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.6796 4.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 0.1530 3.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9663 1.4792 2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9318 -0.0144 1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9491 -3.6518 -3.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 -3.7465 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 -2.3450 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -2.8009 1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -3.1847 3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1303 -4.1221 1.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 3.6950 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 2.3439 -2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 1.2686 -1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 0.1217 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 3.5584 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 3.3205 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 1.5115 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0041 -1.8998 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 23 2 0 0 0 0 3 30 1 0 0 0 0 3 50 1 0 0 0 0 4 30 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 16 2 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 1173246 > 0.8 > 1 144 237 228 12 59 169 57 123 67 210 129 2 73 18 199 253 92 4 226 6 42 217 234 262 65 245 126 265 5 13 38 229 137 128 152 107 29 170 121 258 26 19 213 208 44 269 220 157 158 196 263 108 109 167 181 61 146 53 135 182 235 201 111 14 91 51 3 238 179 89 90 259 83 163 165 270 103 133 149 56 176 106 64 60 36 97 136 96 198 215 138 46 207 141 102 87 267 39 71 246 52 225 222 268 180 23 154 193 243 72 230 142 224 9 186 124 104 11 189 244 197 25 122 24 127 30 28 58 266 254 252 125 41 49 10 219 173 214 257 155 47 105 112 164 150 209 27 113 178 132 250 116 211 274 43 160 66 48 275 134 241 99 120 17 114 151 156 148 118 212 166 79 110 95 117 185 70 94 74 50 143 200 33 177 15 162 172 204 7 205 81 100 195 115 223 191 203 236 85 233 272 187 251 32 216 21 139 131 232 34 31 168 194 183 62 75 130 55 260 35 249 255 78 192 190 16 98 45 247 86 69 227 159 273 240 63 153 184 93 22 8 161 261 119 175 188 140 264 76 88 77 242 256 239 221 231 174 271 248 54 40 206 101 37 84 218 20 147 202 80 82 145 171 68 > 39 1 -0.29 10 0.03 11 0.14 12 -0.14 13 -0.09 14 -0.14 15 -0.18 16 0.24 17 -0.15 18 -0.15 19 0.14 2 -0.57 20 0.14 21 0.14 22 0.29 23 0.57 24 0.12 25 -0.15 26 -0.15 27 0.09 28 -0.15 29 -0.15 3 -0.65 30 0.63 31 0.15 32 0.15 33 0.15 4 -0.57 45 0.37 46 0.15 47 0.15 48 0.15 49 0.15 5 0.33 50 0.5 6 -0.34 7 -0.34 8 -0.55 9 -0.02 > 6 > 11 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 8 donor 3 3 4 30 anion 3 5 6 11 cation 3 5 7 16 cation 5 5 6 7 11 16 rings 6 24 25 26 27 28 29 rings 6 5 9 10 11 13 15 rings 6 9 10 12 14 17 18 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0011E6FE00000001 > 123.4423 > 58.487 > 107951 10 17750526082730474717 10816530 90 17112965272358139533 11578080 2 16414043452486399025 12156800 1 17626348300472683816 12539773 59 15396285200202808798 133893 2 16664547201219435577 13615921 28 17320704864024769626 19930381 70 18271237313433687647 20600515 1 17029896498452800676 20905425 154 17973726878781344965 23419403 2 16972012360556764780 35225 105 16878225388786267475 513532 50 17265197437299735421 57527585 103 17610902674874973338 5845 1 15957989033519985595 6287921 2 16401389899164642312 > 583.7 6.06 4.17 3.06 5.79 1.17 1.05 2.35 -1.69 0.22 0.07 -1.51 -2.75 0.37 > 1274.018 > 319 > 2 5 10 $$$$