51626003 -OEChem-05102422473D 65 68 0 1 0 0 0 0 0999 V2000 -3.7385 1.8453 2.4019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8433 0.7808 0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 1.8523 1.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -1.7827 -0.3626 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -3.9599 0.8046 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 1.3990 -2.1706 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.4980 -3.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5066 1.5553 -3.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1633 0.3917 -4.0261 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 -2.0426 -0.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3883 -2.2160 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 -0.3681 -0.5266 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5859 -3.5253 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0426 -3.6990 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6767 -5.3750 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -0.0577 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 0.1459 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -5.6423 0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 0.7603 0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9750 -0.5912 -0.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5787 2.4706 -1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 1.0450 1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -0.3066 -0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 0.5115 0.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8814 2.3062 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 2.2839 0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 2.1762 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0965 2.1316 1.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 2.0240 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 2.3496 3.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2910 2.0017 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 0.1963 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 1.8371 2.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9319 -1.4339 -0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 -1.8099 -1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -2.1115 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2027 -1.6181 1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 0.1788 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 -3.6242 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 -4.1283 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 -4.3112 0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1893 -3.9664 2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -6.0157 0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5114 -5.6633 2.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4101 -6.6454 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 -4.9314 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 -5.6171 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 1.1449 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -1.2346 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 2.5420 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6019 3.4121 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0611 -0.7565 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 2.3869 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0889 2.1999 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 2.1230 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 1.9248 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 1.5427 3.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9948 3.0041 2.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9802 2.9663 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8431 -0.8976 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8254 0.5160 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8243 0.5652 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4278 1.7101 3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8243 0.9839 3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0381 2.7902 3.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 30 1 0 0 0 0 2 24 1 0 0 0 0 2 32 1 0 0 0 0 3 31 1 0 0 0 0 3 33 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 17 2 0 0 0 0 8 9 2 0 0 0 0 10 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 38 1 0 0 0 0 13 39 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 18 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 20 23 2 0 0 0 0 20 49 1 0 0 0 0 21 25 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END > 51626003 > 1 > 1 50 138 63 162 265 251 241 137 179 70 181 211 207 4 163 71 134 246 268 234 261 175 92 123 99 149 167 245 103 192 178 244 93 96 107 89 106 7 235 196 260 249 58 140 188 161 190 210 273 84 231 199 73 164 38 72 120 166 177 198 95 142 187 115 197 141 121 16 169 212 36 254 48 184 85 200 144 186 174 47 264 202 105 232 65 61 114 117 143 69 233 165 132 37 126 133 30 262 155 157 94 185 153 201 229 236 252 62 228 255 33 248 87 152 195 127 100 147 145 242 267 66 154 108 257 25 29 218 258 19 171 52 119 225 238 217 176 221 129 15 59 40 208 102 104 67 223 122 109 76 250 224 189 205 270 139 12 90 34 180 253 243 266 97 57 74 247 263 116 156 172 82 26 43 222 214 86 18 118 168 45 272 239 159 75 110 32 227 191 6 68 237 213 160 83 55 131 230 256 148 21 203 194 27 44 151 240 41 10 170 215 46 259 158 2 128 81 39 79 135 11 219 98 209 271 64 77 42 56 101 23 22 204 113 91 216 24 49 20 78 111 124 136 146 173 60 130 13 125 53 31 183 17 269 220 51 9 80 54 88 35 5 206 112 8 150 3 14 182 193 28 226 > 38 1 -0.36 10 0.27 11 0.27 12 0.59 13 0.27 14 0.27 15 0.27 16 -0.14 17 0.01 19 -0.15 2 -0.36 20 -0.15 21 0.4 22 0.08 23 -0.15 24 0.08 25 -0.14 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.36 30 0.28 31 0.08 32 0.28 33 0.28 4 -0.81 48 0.15 49 0.15 5 -0.81 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 6 0.31 7 -0.34 8 -0.42 > 10.2 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 cation 1 5 cation 3 6 7 17 cation 5 6 7 8 9 17 rings 6 16 19 20 22 23 24 rings 6 25 26 27 28 29 31 rings 6 4 5 10 11 13 14 rings > 33 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 0313C01300000001 > 102.8317 > 50.755 > 10764073 3 16807267151994981805 11552529 35 17471562704722038992 11578080 2 18263640655060584341 11582403 64 17775288304237259868 12160290 23 17475556074950917199 12633257 1 18189610717292368764 12788726 201 17476923922680603342 14739800 52 17846215527645052425 15064986 96 18116692054829742785 15775530 1 17171503395182570925 17818456 19 17323803742947950174 20567600 347 17917444145739701013 20771845 38 17682073860592730618 23419403 2 17899122833030079669 23559900 14 17605015641007350075 35225 105 17469076661138241553 4616759 239 16312431720988349994 5171179 24 17974840679733439109 5385378 56 18410577267044626849 5895379 119 16339789906453374889 59554788 281 18268444584143313441 9981440 41 17417543517485719309 > 631.63 10.03 5.96 3.13 7.81 12.64 -1.75 -7.48 6.92 -8.49 2.79 -0.75 -2.31 -0.74 > 1338.699 > 354.5 > 2 5 10 $$$$