60167803 -OEChem-03292407263D 57 61 0 0 0 0 0 0 0999 V2000 -6.9817 -3.2320 -0.6477 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 2.9086 -1.5347 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 1.6568 -2.1556 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 0.9781 -0.5895 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7639 2.7183 -0.4637 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 2.0244 -2.0459 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8398 2.2431 -0.0249 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4446 -2.5330 1.3736 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -0.2359 0.9741 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2472 0.5158 -0.7672 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5289 -2.2717 2.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -1.9823 1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0703 -1.5006 0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -1.8345 -0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3858 -1.4453 0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5343 -0.7591 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 0.7082 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 -1.1669 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 2.0759 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 -2.9306 1.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 -0.7657 2.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 -2.6621 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 -0.4973 1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0157 2.7487 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -3.1635 -0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0804 0.1463 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 -1.0537 -2.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3526 0.4149 -0.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6027 -2.2116 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 2.7276 1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1528 -3.4290 -1.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7345 -2.3727 -2.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 4.0734 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0834 -1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -0.6297 -0.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8749 -1.9431 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 4.0523 1.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5269 4.7253 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7539 1.8193 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8873 -1.4682 3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 -3.1604 3.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3505 -3.4334 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0232 -3.8832 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 -0.0200 2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 -3.4182 -0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1899 0.4507 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8411 -4.0183 -0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 0.9735 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8923 -0.2449 -2.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3522 -3.2422 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6871 2.2180 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -4.4539 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -2.5712 -3.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 4.6192 -0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 -0.4152 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 4.5599 2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3142 5.7568 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 34 1 0 0 0 0 5 39 1 0 0 0 0 6 39 1 0 0 0 0 7 39 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 42 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 25 2 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 15 23 1 0 0 0 0 16 27 2 0 0 0 0 17 19 1 0 0 0 0 18 26 2 0 0 0 0 18 29 1 0 0 0 0 19 24 1 0 0 0 0 19 30 2 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 33 2 0 0 0 0 24 34 1 0 0 0 0 25 31 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 32 1 0 0 0 0 27 49 1 0 0 0 0 28 35 2 0 0 0 0 28 39 1 0 0 0 0 29 36 2 0 0 0 0 29 50 1 0 0 0 0 30 37 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 38 1 0 0 0 0 33 54 1 0 0 0 0 35 36 1 0 0 0 0 35 55 1 0 0 0 0 37 38 2 0 0 0 0 37 56 1 0 0 0 0 38 57 1 0 0 0 0 M END > 60167803 > 1 > 1 2 147 43 144 76 18 109 28 86 100 68 115 90 126 124 148 60 23 81 53 110 57 36 119 85 30 107 52 79 37 136 82 63 102 121 31 134 106 44 77 130 13 145 47 67 24 27 132 139 108 72 116 64 42 146 25 17 103 131 91 78 50 29 101 39 118 20 89 120 123 111 142 97 19 38 99 46 137 49 45 135 95 32 65 61 104 75 4 93 69 54 138 70 21 41 5 84 12 3 133 113 141 92 88 7 10 140 94 96 125 58 16 34 59 80 11 74 98 9 71 73 6 114 66 122 87 112 117 48 127 33 8 51 105 35 55 14 40 129 83 26 62 56 22 128 15 143 > 51 1 -0.18 10 -0.62 11 0.51 12 -0.14 13 0.41 16 0.31 17 0.62 2 -0.34 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.14 25 -0.15 26 -0.15 27 -0.15 28 -0.14 29 -0.15 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 1.16 35 -0.15 36 0.18 37 -0.15 38 -0.15 39 1.16 4 -0.34 42 0.4 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 6 -0.34 7 -0.34 8 -0.87 9 -0.62 > 7 > 8 1 8 donor 3 8 9 13 cation 3 9 10 17 cation 6 12 15 20 21 22 23 rings 6 14 16 25 27 31 32 rings 6 18 26 28 29 35 36 rings 6 19 24 30 33 37 38 rings 6 9 10 13 14 16 17 rings > 39 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 0396167B00000001 > 119.813 > 40.771 > 10256941 240 16977298177330491024 10439779 11 18188756362244290120 10764073 3 18118099568207648160 10985338 8 17391928333097761988 11115154 58 18270978842349092024 11170278 133 16958152982245559629 11421498 54 16837110410371589446 11720765 8 18272652312537980818 11966995 178 18334851707154840389 12128747 34 18410294743827221637 12166972 35 18060429022782349679 12788726 201 17975703788235655842 12925494 130 18187638086701287529 14068700 675 17774734060704942970 14068700 686 17691968580310619891 14347329 18 17095250215181254826 15001296 14 18335409172029453769 15210252 30 17240495714654399814 16988056 13 18413111688797272024 16992828 155 16320905205767587904 22393880 68 18408039611335094531 23559900 14 18343582936589310547 3388396 114 17702400622239813088 376196 1 17906727356549072546 4066623 53 18334576790340158774 4366758 6 17557980930194616816 437795 70 18261683579632585319 437815 12 18272097033121882612 4403749 210 17263275637230812880 44317340 157 18272374217632239835 46194498 28 18271807985654261203 508180 173 18335430023488462584 508706 21 17821732766938462883 513532 50 18337105761204188874 550186 83 16298376968312371740 6004065 56 18271529792876375722 6086070 43 18411136896603609227 77296 10 18271246135707989375 > 745.89 16.23 5.84 2.14 25.15 4.42 -0.07 -4.52 8.89 -5.3 -0.31 -2.01 -0.57 4.31 > 1663.313 > 397.6 > 2 5 10 $$$$