5290327 -OEChem-03192407153D 47 50 0 0 0 0 0 0 0999 V2000 8.4698 0.7097 0.7773 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.8614 3.4334 0.6347 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 2.6108 2.1486 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 3.4643 0.3315 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 -1.2045 0.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 -1.6841 2.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 2.0602 -2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9755 3.2275 -0.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 -0.7305 0.0659 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -0.4982 -1.1095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.5028 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -0.9410 -0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -1.3480 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 -0.3847 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 -2.0459 0.9788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -2.1843 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -1.6611 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 -0.7641 -0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 -3.2581 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 -2.9198 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 0.7127 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2323 -0.8859 -1.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7027 0.4846 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 -1.1295 1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7888 1.3562 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9017 -1.1328 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 1.0607 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2802 -0.7816 1.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9313 0.9833 -0.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 0.3135 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9877 -0.2611 -1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7289 2.6871 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4903 2.2141 -1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3259 -2.4214 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 -4.1746 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 -3.5302 -1.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 1.3076 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -0.2966 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5363 -1.8908 -2.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 -0.3853 -2.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 0.8034 0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -2.0153 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9771 -2.0950 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 -1.3799 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7872 1.6483 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8775 -0.5512 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7113 2.8397 -2.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 13 2 0 0 0 0 7 33 1 0 0 0 0 7 47 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 22 1 0 0 0 0 14 21 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 27 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 29 2 0 0 0 0 25 32 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 30 2 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 31 46 1 0 0 0 0 M END > 5290327 > 0.8 > 2 13 48 19 28 14 3 45 40 22 29 6 10 37 41 23 32 36 39 8 30 21 16 9 44 18 47 4 42 26 43 33 27 35 17 38 7 24 46 1 25 31 15 34 5 11 20 12 > 44 1 -0.18 10 -0.51 11 0.03 12 0.37 13 0.62 14 0.12 15 -0.11 16 0.09 17 0.09 18 0.05 19 -0.15 2 -0.34 20 -0.15 21 -0.15 22 0.06 23 -0.15 24 -0.15 25 -0.14 26 -0.15 27 0.09 28 -0.15 29 -0.15 3 -0.34 30 0.18 31 -0.15 32 1.16 33 0.63 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.34 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.5 5 -0.28 6 -0.57 7 -0.65 8 -0.57 9 -0.11 > 5.2 > 10 1 10 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 7 8 33 anion 5 5 16 17 19 20 rings 5 9 10 11 12 13 rings 6 14 21 24 27 28 30 rings 6 18 23 25 26 29 31 rings > 33 > 0 > 0 > 1 > 0 > 0 > 1 > 1 > 0050B95700000002 > 103.602 > 50.807 > 10 15 15285356241039521358 10087517 78 18412821370466977469 10454371 7 18201725067524093733 10554248 39 18340475695481960510 10670039 82 18343292661846972697 10883706 163 18260827077466193413 10906281 52 17968106356267110726 11181472 205 18408608063985400452 11408170 253 18272094893854733953 11456790 92 18113892806691903720 11475781 23 17988929942449696556 12236239 1 18114454634883744219 12895837 130 18343022186376621333 13782708 43 8718834171704708582 14394314 77 18335422314745891669 15183329 4 18342737442143685120 15276724 80 17968365780554065908 15604295 49 18058437876804014848 15840311 113 17894909620257548494 15968369 153 17274527824116980864 16112460 7 18187366549165914332 16126227 98 18413112754006872169 19958102 18 13758356674269725604 20982279 24 14997113646559980234 21130935 74 17458620146808631578 21424621 283 18334296478408418626 21521239 73 12967134925867873222 21774942 28 18343303652557792432 22122407 14 18263371437550835904 23522609 53 17896052082328112868 23569914 152 15693245148939462116 23576562 1 16700597116534617352 2748736 6 18410011018203017341 2838139 119 18201712977106324043 3178227 256 15213012757484044554 3711267 37 18042134296806929756 3918712 181 18341325579621532057 394071 54 17313098645006375834 397830 11 12324530882468483414 4073 2 17459187551012247794 4169191 19 18260543428818636759 44555599 121 18334295396604083076 445580 204 18341891879405974203 44802255 64 17346595309321783719 48014 12 18343021061127338785 5104073 3 17168420579959888370 54039377 194 10807926107734359941 563151 74 17240486862436873691 5911458 16 18334295370401613128 6328613 192 18335418006233271222 636775 72 18343014536497074848 7970288 3 8862358926685123241 9831232 110 9221860776326322928 > 625.73 24.64 3.59 1.54 13.02 2.22 -0.09 20.46 -0.5 -4.52 0.46 0.71 0.26 -4.53 > 1383.757 > 338.5 > 2 5 10 $$$$