46883032 -OEChem-04192419373D 53 55 0 1 0 0 0 0 0999 V2000 6.3902 -0.7196 -1.1339 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 -3.8470 2.2231 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 -4.5549 0.1963 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 -3.1705 0.5976 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 3.1980 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9925 -2.0968 -0.9956 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3495 -0.6039 -2.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 2.8762 0.4321 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3028 2.2917 -0.7044 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3194 1.0361 0.0315 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0698 1.5449 1.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5729 2.2669 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3930 0.5649 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 2.2993 2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3923 3.4111 1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 -0.1500 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1779 -0.6346 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -0.6862 1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 -0.6860 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 2.8131 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -1.7581 1.7594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.7578 -0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2221 -1.0837 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 -2.2939 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 -3.4419 0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5186 1.5723 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 1.1160 -2.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2785 1.3202 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1534 0.4074 -2.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 0.6115 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 0.1552 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 2.2371 0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 0.7377 1.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0370 1.9906 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 3.0428 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 1.3877 -1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 0.3249 -1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4539 1.6402 2.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 2.7345 3.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 3.8854 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 4.1896 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -0.3934 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5308 -1.4984 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -0.3580 2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -0.2871 -1.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2579 -2.1700 2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 -2.1675 -1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 2.4036 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6581 -2.3854 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3731 1.3050 -2.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9798 1.6208 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 0.0574 -3.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 0.4158 1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 20 2 0 0 0 0 6 23 1 0 0 0 0 6 49 1 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 20 1 0 0 0 0 9 26 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 18 44 1 0 0 0 0 19 22 2 0 0 0 0 19 45 1 0 0 0 0 21 24 2 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END > 46883032 > 1 > 1 14 37 70 53 48 74 50 83 62 46 40 75 65 56 30 69 76 31 81 58 57 68 43 82 28 42 72 59 78 66 64 10 34 67 52 77 41 80 19 49 33 12 44 85 26 79 39 73 20 35 63 32 3 60 45 21 25 84 36 51 11 27 71 55 29 18 54 16 23 6 24 15 7 38 9 8 61 47 17 4 13 2 5 22 > 38 1 -0.18 10 0.14 12 0.3 15 0.3 16 -0.14 17 0.06 18 -0.15 19 -0.15 2 -0.34 20 0.69 21 -0.15 22 -0.15 23 0.66 24 -0.14 25 1.16 26 0.12 27 -0.15 28 -0.15 29 -0.15 3 -0.34 30 -0.15 31 0.18 4 -0.34 44 0.15 45 0.15 46 0.15 47 0.15 48 0.37 49 0.5 5 -0.57 50 0.15 51 0.15 52 0.15 53 0.15 6 -0.65 7 -0.57 8 -0.66 9 -0.55 > 9.2 > 8 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 9 donor 3 6 7 23 anion 6 16 18 19 21 22 24 rings 6 26 27 28 29 30 31 rings 6 8 10 11 12 14 15 rings > 31 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 02CB60D800000001 > 82.2824 > 40.655 > 10190108 129 18265915678125676201 10693767 8 17772736398543515631 11135609 187 18335983168000671029 11578080 2 17460871787908519197 133893 2 17823699646605004698 14251757 5 17975168558386005684 14784336 7 18412541003406913904 14931854 50 18408327670670477678 15420108 30 17841449028743163537 16752209 62 18335141990302983788 20775438 99 17481121819484336159 20832881 197 18201159970419437533 20905425 154 18196937669252800916 22393880 68 18267848632215000413 2818148 4 18199466554554783513 3027735 51 18334575707349322461 3383291 50 18410577327343500250 3633792 109 18261108595350080324 44802255 64 17023477472549940878 45266715 3 18268416009899771556 463206 1 18269832167664761751 484989 97 18044382861877185779 57527452 28 17824793807136515096 57527585 103 17900017981402917355 6287921 2 17907858401605591922 6669772 16 17981024616458976521 > 590.44 10.13 4.65 2.12 2.18 2.29 0.08 2.68 7.58 0.37 -2.91 -0.98 0.22 -2.31 > 1251.004 > 331 > 2 5 10 $$$$