53358322 -OEChem-04192423083D 71 75 0 1 0 0 0 0 0999 V2000 -1.0927 -1.4145 2.6463 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -0.1018 -2.4502 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 2.4218 -1.1243 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 -0.8723 2.6096 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6568 -1.8635 3.9066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.6251 -1.1693 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.1936 -2.7067 1.4870 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.1565 -0.2554 1.9583 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 1.6167 -2.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 1.8776 -1.4712 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6301 1.4722 0.9978 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5178 3.8627 2.4603 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7849 -2.3914 0.1008 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6894 -1.9984 0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 -3.6291 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -3.9441 -1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6222 -2.7042 -1.2234 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4706 -3.4776 1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -1.3277 -1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 -3.5007 -2.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3337 -4.6555 2.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4914 -1.1409 -0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 -0.2478 -1.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 1.1542 2.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 2.0844 1.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0751 0.1256 -0.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 1.0188 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 1.9373 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 1.2055 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 1.6406 -1.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3275 2.0726 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 1.3933 -1.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 2.3843 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5977 2.2471 -1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 3.5585 1.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7745 1.6662 -2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5502 0.3906 -2.6789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 1.7764 1.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 2.9505 2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 -1.5998 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2348 -2.3982 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.9120 0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 -4.5416 -0.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 -3.3819 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5484 -4.4095 -2.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 -4.6314 -0.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9874 -3.2549 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2662 -2.8286 1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8661 -3.7872 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -3.0883 -3.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7731 -4.5594 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 -3.4678 -2.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -0.5416 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -5.2052 2.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0623 -4.3491 3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5615 -5.3467 2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0100 -1.9740 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6608 -0.3686 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 1.3091 3.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9836 1.3740 2.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4337 3.1247 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 1.8868 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0365 0.2716 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 1.8588 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 1.4294 -3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5554 3.2434 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1684 4.3055 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7366 2.1589 -2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2623 -0.2758 -3.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3242 1.0420 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 3.1935 3.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 32 1 0 0 0 0 2 37 1 0 0 0 0 3 29 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 24 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 65 1 0 0 0 0 10 31 2 0 0 0 0 11 33 2 0 0 0 0 11 38 1 0 0 0 0 12 35 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 23 27 2 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 29 2 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 38 39 2 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > 53358322 > 1.4 > 9 150 185 281 82 278 155 62 246 242 45 116 140 169 81 113 279 48 280 226 69 61 73 236 205 259 191 271 7 188 51 253 145 162 32 250 105 282 124 88 220 147 269 79 168 11 166 247 50 59 115 56 64 117 194 178 121 251 152 85 233 239 232 19 139 170 94 218 29 257 230 141 164 273 39 238 172 177 211 49 129 159 171 229 268 183 58 244 120 10 46 163 265 213 207 14 42 202 165 198 267 20 252 75 283 132 222 35 263 87 110 249 68 134 209 245 235 6 3 217 109 212 118 156 36 227 260 128 125 4 92 137 237 160 107 34 83 261 8 195 67 224 91 196 16 78 275 80 97 270 284 248 208 182 158 76 186 272 264 234 176 84 225 189 102 70 13 262 193 206 106 52 144 21 23 276 174 22 27 216 255 187 119 135 24 98 86 167 192 136 55 204 40 99 111 256 74 161 197 60 266 149 219 15 241 17 214 25 201 173 5 77 175 277 215 133 96 200 12 26 103 65 100 203 148 190 18 28 47 123 127 1 101 153 221 33 44 72 228 54 112 30 138 126 41 181 210 243 108 179 43 274 104 231 151 90 180 154 184 285 130 2 63 95 223 71 57 31 146 66 89 142 157 240 114 53 254 37 93 258 38 131 199 143 122 > 48 1 1.58 10 -0.71 11 -0.62 12 -0.62 13 0.36 14 0.27 16 0.27 17 0.41 18 0.36 19 -0.14 2 -0.08 22 -0.15 23 -0.15 24 0.36 25 0.18 26 -0.15 27 -0.15 28 -0.18 29 0.19 3 -0.19 30 -0.15 31 0.23 32 0.04 33 0.36 34 -0.15 35 0.16 36 -0.15 37 -0.11 38 0.16 39 0.16 4 -0.65 5 -0.65 53 0.42 57 0.15 58 0.15 6 -0.81 63 0.15 64 0.15 65 0.27 66 0.15 67 0.15 68 0.15 69 0.15 7 -0.85 70 0.15 71 0.15 8 -0.91 9 0.3 > 12 > 11 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 6 cation 1 8 donor 1 9 donor 5 2 32 34 36 37 rings 5 6 13 14 15 16 rings 5 9 10 28 30 31 rings 6 11 12 33 35 38 39 rings 6 19 22 23 26 27 29 rings > 39 > 1 > 1 > 0 > 0 > 0 > 1 > 3 > 032E2EF200000009 > 89.9131 > 55.828 > 10032420 55 18270670953503606172 11285246 1 17762631589825185966 12156800 1 17605818425527823419 12422481 6 17467407405024388049 144659 39 17458350749026443628 15664445 248 17839427057140426953 15721738 202 15267051575950413396 17909252 39 18059844078601755239 19319366 153 17834405514432447585 20600515 1 16027561443373873869 20764821 26 18128824221356262824 238 59 17898571964888298231 27425 322 15864365673954230821 35225 105 17385989668298852446 437795 51 18410576159412556357 463206 1 17985265175351623861 6376802 137 17771615760071934146 > 756.42 8.78 5.8 3.75 2.57 3.88 2.23 -3.45 -8.74 -0.98 2.87 2.26 0.71 3.94 > 1602.724 > 427.4 > 2 5 10 $$$$