1990024 -OEChem-03292410113D 32 34 0 0 0 0 0 0 0999 V2000 4.7983 1.6983 -0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3825 -0.5665 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8569 -1.1614 0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 3.0875 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6838 -0.1512 -0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 0.9378 0.0098 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3174 1.1242 0.0442 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 -0.6126 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 1.2129 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 0.4147 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 2.1573 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 -1.0585 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -2.4330 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4503 -1.6397 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -2.8108 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 -1.4990 0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 -0.3343 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0684 -0.2346 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1378 1.8689 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -0.7366 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 -1.5735 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4664 1.5706 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 1.2197 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 0.4852 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 0.1296 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3932 3.1560 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2047 2.2509 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 -3.0959 -0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 -3.8160 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 -2.4264 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1009 1.1673 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 1.5330 0.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 31 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 M END > 1990024 > 0.6 > 1 14 12 16 4 17 15 19 18 13 8 2 3 5 6 7 10 11 9 > 24 1 -0.56 10 0.28 11 0.28 12 0.22 13 -0.15 14 0.09 15 -0.15 16 -0.11 17 0.12 18 0.62 19 0.69 2 -0.28 28 0.15 29 0.15 3 -0.57 30 0.15 31 0.37 32 0.37 4 -0.57 5 -0.82 6 -0.54 7 -0.49 8 0.37 9 0.37 > 3.6 > 10 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 cation 1 6 donor 1 7 donor 5 2 12 13 14 15 rings 5 6 7 17 18 19 rings 6 1 5 8 9 10 11 rings > 19 > 0 > 0 > 1 > 0 > 0 > 1 > 5 > 001E5D8800000001 > 41.7158 > 50.814 > 10498660 4 18410011005529209645 10608611 8 18265053531501155727 10646746 165 18410858759143047676 10670039 82 18261408745134595076 11370993 70 18410571781991756696 12173636 292 18339358694620435942 12403260 363 18409441505534195550 12596602 18 17096081519144664064 12788726 201 17101736436570193634 12916748 109 18410860988009800938 13081056 2 18413111666720899510 14123255 52 18411417306465087014 14466204 15 18338227185945026368 15196674 1 18410856546797274108 15256400 18 18410009923392467324 17834072 32 18267304236008789017 18186145 218 18130805446693542958 21279426 13 18268997480126733086 212916 134 18270663364649328306 21315764 268 18336537309366408836 21524375 3 18341333370148498158 21652331 79 18410856594252793989 23227448 37 18270679882476318031 23402539 116 18269267022919735639 23559900 14 18053097324476691755 245318 6 17388837554060928140 351380 180 18409728482258400440 3524813 1 18272082846296816881 474 4 18040720298318238798 474229 33 18338797922273481523 5104073 3 18262243201387402811 58051976 378 18412824677212097695 6328613 192 18261681467474371132 6333272 397 18409167735676163874 7364860 26 18268431226684571510 7808743 9 18194681703764112512 9709674 26 18338524045152141159 9981440 41 18334856130016926155 > 352.59 10.17 3.02 0.63 0.71 0.35 0 5.21 0.72 -0.37 -0.01 0.19 0.01 0.03 > 761.156 > 194.5 > 2 5 10 $$$$