10206278 -OEChem-04252410153D 44 45 0 1 0 0 0 0 0999 V2000 0.5273 -3.4568 0.2699 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.0135 -2.0462 -0.1995 P 0 0 2 0 0 0 0 0 0 0 0 0 -3.5548 0.4381 -0.5947 P 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -0.2615 -0.8491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 0.2828 0.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1366 1.6468 -1.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 -2.9538 -0.0364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.2004 -0.1258 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 3.5624 -1.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.5315 -0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3060 -3.9737 1.6617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2241 -0.4752 -0.5124 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4871 -2.1904 1.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -2.9718 -1.1594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 1.8630 -1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 -0.1435 -1.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 0.4889 0.6716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.7295 -0.1438 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 1.0137 0.9678 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 3.3939 0.3304 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 3.1130 2.2525 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 0.4383 0.5142 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9595 -0.7553 -0.2057 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2230 1.5807 -0.4219 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8472 1.1739 -0.9333 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5974 -1.8993 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1257 2.9296 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 1.4707 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 2.7341 1.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0776 0.5907 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -1.1327 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 2.5557 0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 1.4561 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 -1.5724 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -2.2833 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2863 1.1230 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0857 0.8147 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8395 0.9376 2.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5635 -5.4446 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 2.5643 3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7528 3.9631 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -3.0848 1.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 2.6302 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2273 0.2048 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 2 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 36 1 0 0 0 0 6 24 1 0 0 0 0 6 37 1 0 0 0 0 7 26 1 0 0 0 0 9 27 2 0 0 0 0 10 39 1 0 0 0 0 13 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 27 1 0 0 0 0 19 28 2 0 0 0 0 20 27 1 0 0 0 0 20 29 2 0 0 0 0 21 29 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 23 26 1 0 0 0 0 23 31 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 28 29 1 0 0 0 0 28 38 1 0 0 0 0 M END > 10206278 > 1.2 > 1 29 120 40 258 78 137 101 159 224 288 180 119 46 266 19 281 65 272 62 186 182 294 21 291 36 136 289 202 28 48 122 290 49 205 89 63 74 133 17 233 123 204 248 66 228 243 121 293 112 25 86 229 71 175 198 264 72 280 4 226 262 208 47 249 111 135 251 268 275 91 245 225 259 254 270 108 84 128 154 60 2 14 152 55 146 138 20 267 287 45 110 100 188 59 34 284 273 147 76 13 178 58 164 256 168 237 297 22 260 96 247 44 61 97 41 179 163 114 69 257 43 232 142 31 161 298 12 132 143 238 127 57 42 102 52 158 88 93 215 75 274 282 16 239 99 23 172 292 199 117 115 148 244 207 126 241 246 83 194 9 5 51 105 87 70 210 53 201 165 209 222 242 106 174 130 18 269 124 125 162 283 15 299 170 54 216 296 77 200 227 67 26 139 169 85 94 6 3 184 261 145 231 271 149 295 113 80 153 173 64 32 196 197 118 116 255 191 150 195 240 181 183 220 212 177 234 82 217 203 156 8 81 278 92 39 193 206 30 263 98 219 95 160 157 109 230 213 167 185 253 192 155 189 24 33 187 211 171 250 235 285 131 35 221 166 214 56 140 223 68 144 50 141 104 276 38 236 7 265 103 27 134 277 279 79 286 252 129 37 10 107 151 73 176 218 190 90 11 > 38 1 1.51 10 -0.77 11 -0.7 12 -0.54 13 -0.77 14 -0.7 15 -0.77 16 -0.77 17 -0.7 18 -0.3 19 -0.51 2 1.51 20 -0.66 21 -0.85 22 0.28 23 0.28 24 0.28 25 0.58 26 0.28 27 0.84 28 0.39 29 0.5 3 1.51 36 0.4 37 0.4 38 0.06 39 0.5 4 -0.56 40 0.4 41 0.4 42 0.5 43 0.5 44 0.5 5 -0.68 6 -0.68 7 -0.55 8 -0.54 9 -0.57 > 9 > 19 1 10 acceptor 1 11 acceptor 1 13 acceptor 1 14 acceptor 1 15 acceptor 1 16 acceptor 1 17 acceptor 1 19 acceptor 1 20 donor 1 21 donor 1 4 acceptor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 9 acceptor 4 3 15 16 17 anion 5 4 22 23 24 25 rings 6 18 19 20 27 28 29 rings > 29 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 009BBC4600000001 > -5.3814 > 96.559 > 10708813 3 17835798595252999474 11370993 70 18261944206679785582 11513181 2 17772467889714570407 12422481 6 17406008262448827225 12553582 1 18124890207042620146 12788726 201 17916599652127438217 13122387 1 17041194641456952006 13140716 1 18409164398450022122 1361 2 16176776123546473461 14081887 123 18201144534005990520 14251757 17 17318710393182143085 14251757 5 18048618180925173188 17093844 170 18264757779715698980 20600515 1 18270678787428780692 20764821 26 18123460850679839791 20775438 99 16689033703154374647 22113638 7 18337946904357144630 23536364 44 16896843595774653324 23558518 356 18127419955643864324 238 59 16689634070614347407 7226269 152 18269832176839784400 > 506.26 6.69 5.62 1.58 0.46 3.36 -0.31 -1.07 1.28 -0.76 -0.5 -0.81 -0.65 -1.41 > 1004.81 > 301.7 > 2 5 10 $$$$