165007 -OEChem-04252412253D 33 32 0 1 0 0 0 0 0999 V2000 4.1633 -0.9666 0.0519 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 1.8622 -1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3951 0.2066 1.5792 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 2.6125 0.0565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3378 1.7551 0.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 0.2283 0.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 -0.4553 0.6144 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1445 -2.9236 -0.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 -0.9410 -1.5649 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 -2.2892 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 -0.9036 0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 1.6163 -0.1029 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2933 0.4237 0.1744 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0755 1.4417 0.4459 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7116 0.6069 -0.3951 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8474 0.2321 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6197 -0.5814 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 -1.9246 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7605 2.5249 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -0.4784 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0608 1.4234 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6996 0.7277 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 0.2848 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -0.6968 0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 2.2677 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 1.0536 2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 2.5262 0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 1.6521 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 -2.2183 -0.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2505 -1.8560 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0565 -3.0268 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7267 -1.5516 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7352 -3.1682 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 16 1 0 0 0 0 7 17 2 0 0 0 0 8 18 1 0 0 0 0 8 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 20 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > 165007 > 0.8 > 1 220 7 138 174 6 210 264 92 245 48 184 234 76 197 235 260 250 230 134 44 241 127 212 91 238 185 177 68 142 173 85 169 38 23 255 145 66 243 75 206 146 4 25 82 253 200 12 70 265 67 263 98 164 187 62 236 122 5 80 168 152 97 9 181 30 252 18 201 65 221 2 254 225 21 135 231 107 207 64 94 261 113 256 16 232 111 102 266 60 52 36 24 191 51 227 86 162 88 249 229 170 11 50 125 178 203 248 205 217 59 3 83 96 10 33 153 182 151 189 192 179 47 20 123 31 258 226 17 136 239 118 58 222 246 132 28 137 247 128 158 79 124 244 15 84 211 34 193 240 112 147 126 224 57 121 19 40 180 156 46 104 171 130 35 242 45 73 155 63 257 204 101 175 143 148 150 208 196 27 53 172 22 149 77 13 106 39 251 105 119 228 103 43 54 69 214 117 49 183 262 78 190 144 219 110 29 42 133 95 108 87 139 141 72 8 99 129 100 115 131 209 114 55 71 14 61 26 233 81 109 195 194 167 176 56 93 41 37 223 160 74 159 166 202 216 215 198 157 89 188 90 237 186 213 140 259 154 165 32 120 218 161 199 163 116 > 25 1 1.51 10 -0.77 11 -0.7 12 0.28 13 0.28 14 0.28 15 0.34 16 0.28 17 0.45 18 0.34 2 -0.68 25 0.4 26 0.4 27 0.4 28 0.4 3 -0.68 31 0.4 32 0.5 33 0.5 4 -0.68 5 -0.68 6 -0.55 7 -0.57 8 -0.68 9 -0.77 > 8 > 15 1 10 acceptor 1 11 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 7 acceptor 1 8 acceptor 1 8 donor 1 9 acceptor 4 1 9 10 11 anion > 18 > 4 > 0 > 0 > 0 > 0 > 1 > 12 > 0002848F00000001 > -4.8077 > 76.204 > 11046707 91 18411135827029696868 11769659 78 18269551796810786557 12006461 19 18412823620459907241 12596599 1 18130801014150234586 12596602 18 14189284980582963390 13255334 9 18340207495853210311 13533116 47 18055912341364934639 13583140 156 17488162967547620457 13740256 8 18411698803217165080 13911882 115 17775289335879022878 14123255 352 10303809882557860194 14251710 61 18341051916709713239 14252887 29 17775567499345724942 15209294 21 10519990365394855979 15342816 4 18408890633471896614 15352361 1 18411133645292286218 15537594 2 18336277759865376594 17804303 29 18412547596029128677 17834072 33 18410014364404644556 17834072 8 18187638082047487877 19107657 46 18340765944865404950 19141452 34 18338516335643270033 193927 3 18341620364226697631 20281475 54 18408885139776389980 20291156 8 18411697711989705199 20374829 77 18260260837171371872 20403669 9 18342176691425133199 20621476 51 17559100189433627975 20621476 91 18264744663618826778 20645477 70 18190450744022430479 20671657 53 18335141985913005888 20871999 31 17385720257911708741 221490 88 18336830921424325898 22485316 2 18339077090947316576 22620623 9 17386828578796815277 23402539 116 17095520648124049764 235170 7 15646771175982275434 23559900 14 18341601659538791153 26918003 58 17846495928673898497 4028521 119 12107786302541651910 4283 87 18337660992579685378 5104073 3 18129387158435046571 58051976 100 18410008841028904485 633830 44 17095798923608821453 76465 3 18338793515536406343 9709674 26 18190460661006984715 > 315.59 10.1 2.61 1.02 4.84 0.51 0.14 7.2 -0.38 -0.93 0.32 0.26 -0.05 -0.23 > 597.778 > 194.8 > 2 5 10 $$$$