9895836 -OEChem-04232402373D 72 76 0 0 0 0 0 0 0999 V2000 5.9071 -4.4918 -0.3965 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.9808 -1.4614 0.6603 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.1636 3.6296 -0.5697 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 2.0357 0.9066 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -1.9261 2.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -2.5553 -2.4734 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2351 -1.2575 -0.3046 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9138 -3.9404 -0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0367 -2.2823 -1.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -0.4388 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5051 0.8616 0.3527 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9447 -0.3387 0.1965 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4901 2.9333 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.6448 -1.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 1.8849 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 4.2500 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8541 2.4931 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4067 3.2067 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1402 2.2910 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5096 1.6886 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1678 1.0719 0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8629 -0.1979 0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1519 0.6675 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.2359 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 -2.0705 1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4207 -1.4079 -1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8648 0.4217 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 -0.0909 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 0.4386 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6494 1.7220 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2287 1.6870 -0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 -2.4109 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1552 -3.0735 1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 -1.7431 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.2438 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4229 0.1073 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6183 2.7255 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 1.1190 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9721 2.4086 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9578 -2.6399 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 -2.6685 2.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1074 -1.8132 -2.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 3.6898 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1314 2.9360 -1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3675 4.4382 -1.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1349 1.4439 1.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 1.0660 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 5.0627 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8252 4.6937 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5502 1.7065 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 3.2040 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6156 2.4702 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3594 3.6874 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 3.0493 -0.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2605 1.5224 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 2.4585 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1423 0.9073 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 1.8031 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1392 -0.7651 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 2.5165 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4372 -3.7179 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9646 -1.9337 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6675 -1.9782 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 3.7309 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4256 0.8966 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -2.4955 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 -3.7369 2.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.3443 3.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8957 -2.0537 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8972 -0.7390 -2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4565 -2.0788 -3.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 -4.5518 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 3 39 1 0 0 0 0 4 21 1 0 0 0 0 4 23 1 0 0 0 0 5 25 1 0 0 0 0 5 41 1 0 0 0 0 6 32 1 0 0 0 0 6 42 1 0 0 0 0 7 28 2 0 0 0 0 8 40 1 0 0 0 0 8 72 1 0 0 0 0 9 40 2 0 0 0 0 10 22 1 0 0 0 0 10 23 2 0 0 0 0 11 23 1 0 0 0 0 11 28 1 0 0 0 0 11 58 1 0 0 0 0 12 27 1 0 0 0 0 12 29 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 17 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 18 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 33 2 0 0 0 0 26 32 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 29 30 1 0 0 0 0 29 36 2 0 0 0 0 30 31 1 0 0 0 0 30 37 2 0 0 0 0 31 60 1 0 0 0 0 32 35 2 0 0 0 0 33 35 1 0 0 0 0 33 61 1 0 0 0 0 34 40 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 64 1 0 0 0 0 38 39 2 0 0 0 0 38 65 1 0 0 0 0 41 66 1 0 0 0 0 41 67 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 M END > 9895836 > 1.2 > 1 48 71 107 114 28 111 50 25 103 79 58 61 67 95 17 92 78 36 110 108 75 32 22 91 109 49 104 105 55 106 52 34 57 117 66 59 19 35 14 74 63 56 65 39 115 101 51 97 96 90 53 33 27 11 83 113 26 84 116 37 102 45 42 62 15 85 76 21 99 86 41 23 94 89 112 44 29 77 31 18 80 81 118 4 93 68 47 46 87 73 54 70 100 30 98 12 69 3 43 82 64 60 88 72 24 20 2 40 9 16 6 7 5 38 8 10 13 > 41 1 -0.18 10 -0.57 11 -0.49 12 0.05 2 -0.18 20 0.18 21 -0.14 22 0.17 23 0.44 24 0.05 25 0.08 26 -0.15 27 -0.24 28 0.71 29 -0.15 3 -0.18 31 -0.15 32 0.08 33 -0.15 34 0.32 35 0.18 36 0.18 37 -0.15 38 -0.15 39 0.18 4 -0.08 40 0.66 41 0.28 42 0.28 5 -0.36 58 0.37 59 0.15 6 -0.36 60 0.15 61 0.15 64 0.15 65 0.15 7 -0.57 72 0.5 8 -0.65 9 -0.57 > 12.2 > 13 1 11 donor 1 12 cation 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 3 8 9 40 anion 5 12 27 29 30 31 rings 5 4 10 21 22 23 rings 6 13 14 15 16 17 18 rings 6 24 25 26 32 33 35 rings 6 29 30 36 37 38 39 rings > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0096FF9C00000001 > 107.6092 > 66.126 > 10050765 1 18411134758094932847 10677351 14 18341897381802321815 11093857 5 17459769166260502939 11135926 11 18339630248412421524 11181472 205 18271811177031675697 12522641 33 18410577327670294260 12539765 74 18335988683593091884 13540713 5 17843982364000842160 13782708 43 18201993353468575987 14068700 686 17908975857769910369 14118638 360 18341325699848337759 15064986 266 18411699907746726183 15183329 4 18265052428163948905 15347591 1 18411135848948158239 15890870 6 18339366379414570372 19315958 150 18408042897249112301 20578428 11 18408324380783511392 23559900 14 18200866297318492011 24771293 8 18113897216916590620 335507 130 18265054802996319101 3411729 13 18408601479325762600 4073 2 18187929520994800235 5109719 28 18263092157471627960 9831232 110 18200595774772806063 99344 41 18335983159473936076 > 829.51 28.71 5.86 1.62 30.86 0.51 -0.08 -20.31 -5.99 -9.48 -0.98 -2.85 1.48 1.24 > 1758.672 > 471.5 > 2 5 10 $$$$