14132338 -OEChem-10012103113D 45 46 0 1 0 0 0 0 0999 V2000 1.9000 -0.8078 0.0668 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3308 0.6862 0.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3797 1.8635 -1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 -0.5064 0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9018 1.3548 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -3.2897 -1.0696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 2.6381 -0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -1.8854 1.2645 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 0.5113 -1.3036 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3899 -1.6718 -0.6797 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6892 1.3530 -0.6086 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1083 -0.1206 -0.7176 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4842 1.5372 0.3217 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8965 -1.0424 -0.9359 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3797 0.5207 0.0158 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2687 -2.5199 -0.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 0.3813 0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7269 1.3683 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 -0.9136 0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 1.0581 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -1.2240 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 -0.2381 -0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8547 -0.5615 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 3.5493 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7475 -2.0403 2.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 1.9377 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -0.2548 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 2.5543 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -0.8416 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9909 0.7083 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6758 -2.7979 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 -2.7812 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 1.7624 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -0.4476 1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 1.4541 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4585 -3.0386 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6088 1.8509 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -2.2385 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 3.1944 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 4.5150 0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5653 3.6825 1.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.8466 2.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 -1.1206 3.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7678 -2.3100 2.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4023 0.2827 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 12 1 0 0 0 0 4 34 1 0 0 0 0 5 13 1 0 0 0 0 5 35 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 8 19 1 0 0 0 0 8 25 1 0 0 0 0 9 23 1 0 0 0 0 9 45 1 0 0 0 0 10 23 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > 14132338 > 0.8 > 1 227 85 271 234 190 109 202 164 226 194 116 317 39 59 244 78 273 134 135 170 292 118 120 192 232 302 315 18 311 262 250 304 141 183 316 277 224 215 283 195 295 165 216 121 264 73 219 173 293 310 313 238 259 72 126 27 207 199 231 254 133 171 282 62 159 300 136 88 112 221 280 95 241 50 31 52 208 53 309 150 237 117 236 83 119 245 265 99 298 303 246 319 182 74 318 84 213 32 233 152 175 278 138 82 230 146 188 203 181 176 185 308 160 253 130 284 66 286 204 44 209 251 81 113 225 153 148 58 90 248 180 64 11 268 96 276 98 137 172 249 274 21 235 157 314 288 108 127 275 142 101 255 206 306 287 156 23 240 210 174 193 144 189 97 297 201 106 19 115 223 154 299 77 61 305 214 38 76 281 270 200 320 151 10 197 279 252 177 211 168 17 147 86 100 68 111 260 205 258 20 34 9 129 125 60 191 47 132 131 67 307 124 92 8 79 196 69 110 91 46 12 290 229 42 104 186 239 3 43 145 75 179 312 80 28 291 218 7 26 29 25 2 71 294 149 158 103 289 266 242 65 155 220 70 166 107 102 33 4 123 48 122 256 267 247 36 13 15 285 105 24 139 140 143 40 94 14 228 37 89 169 6 178 63 54 161 167 301 35 243 263 272 162 30 187 257 198 5 16 296 261 41 55 87 51 163 22 128 49 45 217 212 269 57 222 114 56 93 184 > 32 1 -0.56 10 -0.57 11 0.28 12 0.28 13 0.28 14 0.28 15 0.56 16 0.28 17 0.08 18 0.08 19 0.08 2 -0.36 20 -0.15 21 -0.15 22 0.09 23 0.63 24 0.28 25 0.28 3 -0.68 33 0.4 34 0.4 35 0.4 36 0.4 37 0.15 38 0.15 4 -0.68 45 0.5 5 -0.68 6 -0.68 7 -0.36 8 -0.36 9 -0.65 > 7.2 > 17 1 1 acceptor 1 10 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 5 donor 1 6 acceptor 1 6 donor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 9 10 23 anion 6 1 11 12 13 14 15 rings 6 17 18 19 20 21 22 rings > 25 > 0 > 5 > 0 > 0 > 0 > 1 > 1 > 00D7A47200000001 > 102.5766 > 86.411 > 10366900 7 18341623632939195044 10693767 8 18200010916539270167 10906281 52 18263652925038278945 11796584 16 16559029428792720031 12251169 10 9151168748983725220 12403260 363 18335700503697021944 12670546 177 18260265278521016751 12788726 201 18408885126854818545 133893 2 16010993057157553123 15420108 30 17040066542574807608 16752209 62 18186792569915889921 17349148 13 18334571339483276016 17492 89 18199188386550637663 19930381 70 18342176605520564559 200 152 17703791426811710147 20600515 1 17678999728844692008 20626108 58 18191861220273746602 20645477 70 18411983567875431334 20691752 17 17605847919094534224 21285901 2 18334006199165125629 21756936 100 12326257111798889502 23402539 116 18408316675032193693 23557571 272 18339912762333595145 23558518 356 18265343802212361457 23559900 14 18336265725619804972 238 59 18342465858793648902 2748010 2 17833558172939914256 2871803 45 18413672404871580686 3004659 81 18333726918552621460 3472631 163 16806170002503759958 463206 1 18201995577201540623 495365 180 18201147875564191888 59554788 281 17676477341716582170 633830 44 18186517683861694095 7164475 11 18341333279811844773 7399639 24 17987498429560380720 81228 2 18408330977284248417 9709674 26 18337965501750490238 > 455.8 9.55 3.14 1.54 4.25 0.47 -0.7 -1.69 4.56 -0.58 -0.26 -0.12 -0.51 0.37 > 957.17 > 255 > 2 5 10 $$$$