5290263 -OEChem-05052417143D 44 47 0 0 0 0 0 0 0999 V2000 7.8488 -1.5218 0.6928 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1887 2.2530 1.1246 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 0.5024 0.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 1.7013 0.7296 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 2.1440 1.3009 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5887 1.4652 -0.4394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -0.4466 -0.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -1.3466 -0.9370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0845 0.5045 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -0.8067 -0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 0.7289 0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4630 -0.6878 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 1.3433 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 1.1204 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 0.4681 -0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 0.3756 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0988 -1.4431 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9279 -1.9977 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 1.4964 -1.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -0.1624 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1521 1.0666 -1.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7245 0.1322 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 -2.2412 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1804 -1.1762 0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 0.5523 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6417 -1.5387 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4342 -0.0997 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7149 -2.1906 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 1.2761 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -1.4712 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 2.2891 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 1.4008 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4444 -0.8591 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 -1.5852 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.4343 -1.9722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2464 -2.8438 0.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 2.0089 -2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 1.1813 -2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6212 -3.2665 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9533 -2.1180 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1419 0.4453 2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8527 -3.2585 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4465 -1.9791 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9044 2.9111 1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 25 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 11 2 0 0 0 0 5 29 1 0 0 0 0 5 44 1 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 23 2 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 25 1 0 0 0 0 20 26 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 30 1 0 0 0 0 27 41 1 0 0 0 0 28 30 2 0 0 0 0 28 42 1 0 0 0 0 30 43 1 0 0 0 0 M END > 5290263 > 0.8 > 16 7 38 18 40 1 9 41 30 19 23 34 35 28 37 3 13 2 5 12 42 39 22 27 29 25 24 36 6 20 21 33 10 17 32 11 4 14 26 31 8 15 > 41 1 -0.18 10 0.37 11 0.62 12 0.12 13 -0.11 14 0.09 15 0.09 16 -0.15 17 0.06 18 -0.15 19 -0.15 2 -0.18 20 0.05 21 -0.15 22 0.09 23 -0.15 24 0.18 25 0.18 26 -0.15 27 -0.15 28 -0.15 29 0.63 3 -0.28 30 -0.15 31 0.15 32 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.57 40 0.15 41 0.15 42 0.15 43 0.15 44 0.5 5 -0.65 6 -0.57 7 -0.11 8 -0.51 9 0.03 > 4.2 > 10 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 8 acceptor 3 5 6 29 anion 5 3 14 15 19 21 rings 5 7 8 9 10 11 rings 6 12 16 18 22 23 24 rings 6 20 25 26 27 28 30 rings > 30 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0050B91700000010 > 109.2197 > 50.807 > 10 15 18131636686221554891 10299344 5 18411140242234971754 10763959 59 10087628313036362962 11456790 92 17917419896997719122 12596602 18 18412826858954984843 13692114 37 17385436632069260186 13782708 43 17458338607074354298 14251764 18 18342175591659940255 14394314 77 18041280968377515297 14461889 52 18113897191473360330 14556957 393 14129346144283982471 14849402 71 18059292187741351929 14856354 85 17275098466672430877 15064981 113 11603364526394775523 15183329 4 17632569457685508452 15352257 5 18334576836767439931 15716309 27 18408885135729160527 1577012 14 17489863843157570348 16110190 28 18343018908863199487 17780758 139 18412547592514655913 18335252 114 9367345912107056858 18335252 98 18260550039427335154 18608769 82 18334855047532160114 190975 80 18409449215190409043 19315958 150 18129672894573513743 20105231 36 18272093756474267086 21130935 74 18409731729291178035 21150785 3 15140970547243692718 21267235 1 18342176614880255350 21521721 280 18130785698523327232 21623969 137 18343022168305624535 22149856 69 18410580556683977760 23198884 109 10952047849750902695 23424782 7 18186522116167690582 23522609 53 17703798066889958400 23559900 14 8934704600557727198 24771750 20 17752495523469585596 3178227 256 18273498987234501178 3383291 50 17022912276365631955 3418910 222 17749119889274827980 3663271 9 18412265008555369683 397830 11 18259701207227774629 4073 2 18334862718628477251 4340502 62 18040432179602322642 44880568 143 16805600335174262380 4516262 110 11815357957874978403 474113 269 10375330894333385716 4760202 70 18120372313679725727 5104073 3 18339919303542075569 59682541 35 18334577987749765712 9953998 17 18408045096556691489 999808 66 18334013887283484215 > 587.69 24.96 2.32 1.32 5.85 0.24 0.26 4.28 -10.73 0.19 -0.3 -1.74 -0.26 0.78 > 1288.412 > 320.1 > 2 5 10 $$$$