60193224 -OEChem-05132411333D 58 59 0 1 0 0 0 0 0999 V2000 7.9125 -0.7086 -0.5747 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 -1.6828 -1.4534 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4564 -1.7186 0.7070 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2302 -3.1701 0.6334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8006 2.0755 0.9968 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 -0.9047 1.9064 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 -1.0350 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7151 0.9923 -0.7762 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 -1.1275 -0.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6254 1.3076 0.0641 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5542 -1.3379 -0.9965 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6739 -1.9463 0.1428 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9072 0.1499 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 -2.2872 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8597 -2.1094 -1.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8895 2.3201 -0.1718 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4842 2.9120 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7197 3.2362 -1.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 -0.5423 0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9623 -0.7347 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 0.6220 0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4686 1.9200 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8003 -3.4246 1.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.4078 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3918 3.0132 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2605 1.5053 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 2.8030 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 0.0921 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8034 0.3269 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5973 -0.9544 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 -1.3782 -1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.2269 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6202 0.4995 -1.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3976 0.2218 0.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7411 -2.9691 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2494 -2.8311 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -1.6630 -2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 -3.1493 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4952 -2.1040 -0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3705 2.2158 0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9545 0.5197 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9482 2.9794 -0.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 3.9177 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2749 3.3344 -2.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7889 4.2390 -0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7411 2.8608 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -1.4757 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 0.2512 -1.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8455 -0.7199 -2.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3236 -4.3192 2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 -2.6020 2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7305 -3.6289 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7369 -0.6206 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 4.0288 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4123 3.6636 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1801 2.1579 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 0.9133 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 0.9233 0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 12 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 22 1 0 0 0 0 6 19 2 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 41 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 26 1 0 0 0 0 10 28 1 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 27 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END > 60193224 > 0.8 > 1 32 67 55 36 48 54 52 75 33 66 2 17 61 77 80 23 9 84 76 29 51 68 5 16 35 72 71 15 3 20 19 40 74 31 24 34 78 10 57 4 50 60 41 11 28 7 69 47 18 27 73 37 45 22 30 79 59 25 26 53 8 39 58 70 62 38 46 21 63 43 49 83 44 81 82 65 64 6 12 56 42 13 14 > 32 1 -0.34 10 -0.55 12 0.28 13 0.27 14 0.3 16 0.27 17 0.28 19 0.54 2 -0.34 20 0.3 21 0.09 22 0.08 23 0.28 24 -0.15 25 -0.15 26 0.12 27 -0.15 28 0.57 29 0.06 3 -0.34 30 1.02 4 -0.56 41 0.36 5 -0.36 53 0.15 54 0.15 55 0.15 56 0.37 6 -0.57 7 -0.57 8 -0.9 9 -0.66 > 6.8 > 8 1 10 donor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 cation 1 8 donor 6 21 22 24 25 26 27 rings > 30 > 3 > 0 > 0 > 0 > 0 > 1 > 3 > 039679C800000001 > 93.6501 > 40.597 > 10577160 183 17604977136440685128 10693767 8 17626644340290761455 1100329 8 17976526223049406795 12422481 6 17345496862608272439 12645989 146 18200026399706338247 12760667 363 18272372004975138511 12954195 1 18410568483963210669 13540713 4 18270387412494684240 13782708 43 17275106098940332118 14790565 3 17549548405500497401 14866123 147 18341618088347529857 14931854 50 18188471554879651895 15082195 135 18116438231591819628 15183329 4 17749101189160539662 15351339 4 18261382313405091706 17492 89 18265895954501767640 17627616 140 18117554020665294067 19958102 18 18261382352074971670 20775438 99 16403324477732891295 21236236 1 18413670197274337957 21279426 13 18411128143460188349 21307412 95 18056491551858518684 21682296 61 18201159944248564495 21703447 108 18267295603536072336 21756936 100 11458426868871012776 221357 26 18339913939839936149 22393880 68 18335124381032210525 23379529 103 18194402423225312331 23559900 14 18272078405891788448 23576562 1 18186522115625373029 3004659 81 18333728044625350110 335352 9 18341327817351922733 4058900 60 17903632983100585981 437815 12 18341893021629937222 44062 13 18410293618302689652 513202 73 18262249922947969315 5283173 99 18409726244813021972 559249 180 18340201895621531532 59755656 520 18261668156742992909 > 557.14 15.47 4.09 1.31 27.11 1 0.13 -9.72 -5.2 -5.36 0.77 -1.01 -0.71 1.67 > 1146.813 > 321 > 2 5 10 $$$$