1692 jmolscript: load "" {1 1 1} spacegroup "x,y,z" unitcell [{ 30.091300 0.000000 0.000000 }, { 5.078140 29.659717 0.000000 }, { 5.078140 4.282587 29.348906 }] Zn 29.907729 12.461174 23.911141 1.012488 Zn 30.364231 15.800564 23.065599 1.074901 Zn 10.800071 6.746512 14.125335 0.946882 Zn 30.141852 25.182232 8.878044 1.012488 Zn 29.869470 25.692012 12.304529 1.074901 Zn 16.559601 8.121999 4.636247 0.946881 Zn 17.329611 27.613389 23.636435 1.012490 Zn 20.698094 26.760009 23.646120 1.074908 Zn 8.472346 15.349983 7.367456 0.946882 Zn 12.950459 23.537597 20.112218 1.012488 Zn 9.581925 23.651191 20.957760 1.074901 Zn 11.651444 7.464507 0.549118 0.946881 Zn 25.385501 21.171022 5.796409 1.012488 Zn 24.928999 21.525526 2.369924 1.074901 Zn 9.323719 2.019707 10.038206 0.946882 Zn 25.151378 8.832650 20.386924 1.012491 Zn 25.424061 5.368465 20.377239 1.074909 Zn 3.564189 11.210749 7.306997 0.946882 Zn 10.339851 21.481130 5.437765 1.012488 Zn 9.883349 18.141740 6.283307 1.074901 Zn 29.447509 27.195792 15.223571 0.946883 Zn 10.105728 8.760072 20.470862 1.012487 Zn 10.378110 8.250292 17.044377 1.074901 Zn 23.687979 25.820305 24.712659 0.946876 Zn 22.917969 6.328915 5.712471 1.012488 Zn 19.549435 7.181998 5.702786 1.074901 Zn 31.775234 18.592321 21.981450 0.946881 Zn 27.297121 10.404707 9.236688 1.012488 Zn 30.665655 10.291113 8.391146 1.074901 Zn 28.596136 26.477797 28.799788 0.946883 Zn 14.862079 12.771282 23.552497 1.012487 Zn 15.318581 12.416778 26.978982 1.074901 Zn 30.923861 31.922597 19.310700 0.946876 Zn 15.096202 25.109654 8.961982 1.012488 Zn 14.823820 28.573839 8.971667 1.074901 Zn 36.683391 22.731555 22.041909 0.946882 H 33.714695 12.084928 25.885735 0.116771 H 35.731705 12.255708 26.995124 0.109953 H 6.611319 14.325609 27.317962 0.128967 H 33.577094 16.082517 25.536483 0.134631 H 35.164969 17.870807 25.413218 0.093479 H 34.337805 17.825421 26.748593 0.090913 H 30.301018 13.987097 0.545890 0.166781 H 29.155899 14.980489 0.137940 0.168691 H 34.450417 17.940693 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9.124575 0.075249 H 7.687673 24.194004 5.837497 0.171227 H 8.493531 25.487741 6.207294 0.167667 H 8.983974 24.086885 6.709160 0.160819 H 5.178461 21.956080 9.465022 0.157899 H 35.048699 22.739057 10.806267 0.164046 H 34.050395 22.932536 9.611767 0.166928 H 6.587973 27.337077 11.299329 0.156456 H 7.487418 27.945888 10.166461 0.160323 H 36.017525 28.047856 10.072545 0.165645 H 35.884584 22.933909 14.052256 0.123549 H 34.735594 22.487692 15.933521 0.102949 H 32.660489 23.430191 16.315057 0.119308 H 33.040988 25.563007 12.942868 0.130697 H 6.796215 21.708946 8.299871 0.081396 H 7.312578 22.311903 6.943951 0.086849 H 6.934991 19.917620 7.284398 0.122845 H 4.257045 17.088222 6.553611 0.111633 H 32.759741 18.702390 6.172075 0.099676 H 33.253953 20.986935 6.380452 0.137942 H 34.011189 25.038764 10.955947 0.095572 H 34.843696 26.288995 11.413790 0.084322 H 25.950222 11.464953 5.050947 0.112768 H 26.042318 12.778487 3.157942 0.107661 H 7.590942 5.328275 21.128277 0.116771 H 6.144232 3.529611 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31.797386 24.365462 0.084323 H 10.937323 24.455211 10.615499 0.112768 H 9.293506 24.830090 12.188601 0.107660 H 22.646363 3.824038 2.221712 0.116771 H 22.137646 2.443376 0.443168 0.109953 H 25.011723 6.318766 29.237380 0.128967 H 18.729330 4.286623 2.973044 0.134631 H 16.698723 4.226186 1.705171 0.093478 H 16.883048 3.021421 2.697164 0.090913 H 21.347560 29.430525 2.209973 0.166781 H 20.561663 30.021379 3.433822 0.168690 H 16.750426 1.100186 2.884997 0.159877 H 14.799471 5.357592 0.129135 0.165338 H 20.122821 8.918172 28.107447 0.167494 H 21.261333 8.962207 29.181617 0.165672 H 16.912444 4.639895 28.606379 0.168816 H 16.219004 5.963451 29.078896 0.161408 H 11.333784 0.496035 0.736658 0.168811 H 16.798497 7.766695 28.488983 0.091190 H 18.023011 8.690252 28.130926 0.091406 H 16.477515 9.239407 26.507932 0.140740 H 17.935307 5.911086 24.817435 0.131769 H 18.036205 28.670643 1.006667 0.088029 H 19.423963 28.536607 1.734520 0.092315 H 16.824890 28.801217 5.153668 0.141612 H 16.570700 24.795505 5.183017 0.108166 H 17.681243 24.709370 3.190226 0.097166 H 18.277134 26.653328 2.080837 0.122574 H 29.780445 8.876148 4.546146 0.134182 H 31.163969 7.218452 1.173956 0.128881 H 3.218430 7.365851 1.960507 0.111461 H 3.612929 8.317750 4.032540 0.118958 H 27.712297 8.375480 3.554153 0.084386 H 28.381364 9.647752 2.923151 0.075249 H 25.144357 6.280896 2.614988 0.171227 H 26.555534 6.729982 3.131528 0.167666 H 25.257536 7.330524 3.771334 0.160819 H 22.515082 9.567828 0.017609 0.157899 H 28.327663 15.127065 28.826495 0.164046 H 28.349895 13.798289 27.992987 0.166928 H 28.056768 11.452395 0.228921 0.156456 H 28.808636 10.444573 1.168086 0.160323 H 33.723818 14.409554 28.990849 0.165645 H 28.660783 18.453253 29.140529 0.123549 H 28.027065 20.162153 27.822763 0.102949 H 28.605856 20.221396 25.586376 0.119308 H 30.772294 16.886727 26.088243 0.130697 H 22.544501 8.651147 1.804958 0.081396 H 23.225950 7.368233 2.403675 0.086849 H 20.802287 7.709716 2.386066 0.122844 H 17.561544 6.674406 0.352187 0.111633 H 23.962613 10.314033 27.937224 0.099677 H 26.297794 10.534895 28.007661 0.137942 H 30.419299 15.071480 27.408943 0.095572 H 31.792091 15.612543 27.946028 0.084322 H 15.679819 8.411879 22.666160 0.112768 H 16.990055 6.519812 22.809970 0.107661 H 27.568727 14.220566 11.211282 0.116771 H 28.077444 16.179827 12.320671 0.109953 H 30.281507 16.787504 12.643509 0.128967 H 31.485760 13.410315 10.862030 0.134631 H 33.516367 14.673628 10.738765 0.093479 H 33.332042 13.865987 12.074140 0.090913 H 33.945670 14.817431 15.220343 0.166781 H 4.640267 13.521093 14.812393 0.168691 H 33.464664 13.957531 14.002363 0.159877 H 5.324319 16.069784 9.391650 0.165338 H 5.079109 17.530266 9.908191 0.167493 H 34.031897 16.460994 10.019717 0.165673 H 8.289486 17.654306 14.213675 0.168815 H 8.982926 16.995631 12.972216 0.161408 H 8.790006 16.170591 14.289982 0.168811 H 8.403433 17.318991 11.102691 0.091190 H 7.178919 17.539942 10.137112 0.091406 H 8.724415 19.066636 9.359366 0.140740 H 7.266623 21.219997 12.408717 0.131768 H 7.165725 16.117847 15.798516 0.088028 H 5.777967 15.416975 16.036242 0.092315 H 8.377040 11.995450 16.268099 0.141612 H 8.631230 12.544796 20.236071 0.108166 H 7.520687 14.529141 20.033563 0.097166 H 6.924796 15.346215 17.949791 0.122574 H 20.434645 11.191013 6.547741 0.134182 H 19.051121 14.767221 7.701153 0.128881 H 16.905360 13.967629 7.668869 0.111461 H 16.510861 11.779865 7.026128 0.118958 H 22.502793 12.244903 6.899928 0.084411 H 21.833726 12.685588 5.549878 0.075250 H 25.070733 13.476665 8.836956 0.171227 H 23.659556 12.900693 8.467159 0.167667 H 24.957554 12.180879 7.965293 0.160819 H 27.700008 15.572222 5.209431 0.157899 H 26.965567 15.922246 3.868186 0.164046 H 26.943335 16.938884 5.062686 0.166928 H 22.158322 15.091010 3.375124 0.156456 H 21.406454 14.307207 4.507992 0.160323 H 21.569412 15.863217 4.601908 0.165645 H 26.632447 15.131233 0.622197 0.123549 H 32.344305 20.471028 28.089838 0.102949 H 31.765514 22.675425 27.708302 0.119308 H 24.520936 18.377726 1.731585 0.130697 H 27.670589 13.935964 6.374582 0.081396 H 26.989140 13.528761 7.730502 0.086849 H 29.412803 13.496879 7.390055 0.122845 H 32.653546 15.658934 8.120842 0.111633 H 31.330617 17.497156 8.502378 0.099676 H 28.995436 17.395567 8.294001 0.137942 H 24.873931 17.332970 3.718506 0.095572 H 23.501139 16.723388 3.260663 0.084322 H 9.522111 22.987636 9.623506 0.112768 H 8.211875 23.118531 11.516511 0.107661 H 18.669045 14.670858 22.895082 0.116771 H 20.686055 15.793280 22.903886 0.109953 H 21.656969 16.411609 24.905482 0.128966 H 18.531444 14.902481 26.901207 0.134631 H 20.119319 15.038719 28.688556 0.093479 H 19.292155 16.353547 28.450829 0.090913 H 20.333508 19.530928 28.436155 0.166780 H 14.110249 14.988103 0.129135 0.168690 H 19.404767 18.278208 28.286476 0.159877 H 16.737824 9.659415 1.153412 0.165339 H 18.135978 10.100057 0.595783 0.167494 H 21.968050 14.357023 28.996719 0.165673 H 18.800016 14.814301 3.084570 0.168816 H 18.267811 13.700592 4.050149 0.161408 H 17.422047 14.997196 3.809488 0.168811 H 18.488739 11.760305 3.700897 0.091190 H 18.499875 10.625188 2.609118 0.091407 H 20.265487 10.038346 3.973842 0.140740 H 22.141949 12.795799 1.752130 0.131768 H 17.095949 16.260039 2.016270 0.088028 H 16.170935 16.314847 0.745462 0.092315 H 13.237097 16.997546 3.818293 0.141612 H 13.821460 20.946727 3.401538 0.108167 H 15.589932 20.539937 2.016270 0.097167 H 16.294726 18.373284 1.599515 0.122574 H 14.479012 9.114688 17.116282 0.134182 H 17.770447 9.971968 15.003161 0.128881 H 16.620210 9.654122 13.048524 0.111461 H 14.397248 9.015281 13.121896 0.118958 H 15.866802 9.731842 18.906565 0.084386 H 16.188256 8.289980 18.375350 0.075249 H 17.514257 11.984025 20.925770 0.171226 H 16.708399 11.431301 19.698986 0.167666 H 16.217956 11.136964 21.157626 0.160818 H 20.023469 8.717650 23.664023 0.157898 H 20.244531 7.277405 23.082915 0.164047 H 21.242835 8.431452 22.718988 0.166929 H 18.613957 6.125599 18.604272 0.156457 H 17.714512 7.158689 17.838265 0.160322 H 19.275705 7.236898 17.723804 0.165646 H 19.408646 4.037297 23.358794 0.123548 H 25.635776 31.899893 24.071973 0.102948 H 27.710881 31.386267 23.194440 0.119307 H 22.252242 4.755443 20.597062 0.130701 H 18.405715 9.906275 23.740330 0.081396 H 17.889352 11.160924 22.947910 0.086848 H 18.266939 11.169757 25.366259 0.122845 H 20.944885 12.301425 28.060489 0.111632 H 22.533489 12.445892 26.408146 0.099676 H 22.039277 11.909831 24.177629 0.137942 H 21.282041 6.797238 20.828919 0.095574 H 20.449534 6.163671 19.657897 0.084323 H 24.264868 10.317703 4.058954 0.112768 H 24.172772 12.001208 2.485852 0.107660 H 17.610988 24.954647 12.452741 0.116771 H 19.057698 25.223070 14.231285 0.109953 H 19.831009 27.326803 14.785979 0.128967 H 17.816068 28.893564 11.701409 0.134631 H 18.218319 30.884849 12.969282 0.093478 H 19.374699 30.499853 11.977289 0.090913 H 22.682244 30.556115 12.464480 0.166781 H 17.154351 1.770734 11.240631 0.168690 H 21.290759 30.306350 11.789456 0.159877 H 12.345513 3.288077 14.545318 0.165338 H 13.015784 2.924539 15.915912 0.167494 H 17.858388 31.469505 14.841742 0.165672 H 17.774476 5.366879 15.416980 0.168816 H 16.586927 6.273734 14.944463 0.161408 H 17.722205 5.883632 13.937795 0.168811 H 14.711752 6.006864 15.534376 0.091190 H 13.594794 4.955770 15.892433 0.091406 H 13.314330 6.571774 17.515427 0.140740 H 16.348901 4.573210 19.205924 0.131769 H 18.911905 4.032023 13.667786 0.088029 H 18.809823 2.641549 12.939933 0.092315 H 18.987622 5.248000 9.520785 0.141612 H 22.978778 4.822550 9.491436 0.108166 H 22.876266 3.713399 11.484227 0.097166 H 20.859628 3.454113 12.593616 0.122574 H 11.427406 18.775468 10.128307 0.134182 H 12.827847 17.132037 13.500497 0.128881 H 12.320448 15.041927 12.713946 0.111461 H 11.315627 14.813726 10.641913 0.118958 H 12.269910 20.729462 11.120300 0.084411 H 10.902976 20.284697 11.751302 0.075250 H 14.767812 22.907093 12.059465 0.171227 H 14.087020 21.591944 11.542925 0.167666 H 13.714139 22.972671 10.903119 0.160819 H 11.971733 26.053354 14.656844 0.157899 H 10.589451 25.544891 15.196864 0.164046 H 11.895417 25.298736 16.030372 0.166928 H 9.178993 20.909184 14.445532 0.156456 H 10.045477 19.998023 13.506367 0.160323 H 10.386028 20.105044 15.032510 0.165645 H 7.254752 25.777869 14.882830 0.123549 H 35.768607 26.690888 16.200596 0.102949 H 35.612538 26.130395 18.436983 0.119308 H 8.442477 23.432278 17.935116 0.130697 H 12.870302 25.869659 12.869495 0.081396 H 14.019816 24.981482 12.270778 0.086849 H 14.092243 27.428013 12.288387 0.122845 H 15.659605 30.447558 14.322266 0.111633 H 16.070089 29.035099 16.086135 0.099677 H 15.458314 26.770683 16.015698 0.137942 H 10.291259 23.473874 16.614416 0.095572 H 9.526287 22.212080 16.077331 0.084322 H 14.264607 7.218377 21.357199 0.112768 H 15.908424 5.607632 21.213389 0.107661 C 33.433677 14.051431 25.625997 -0.006152 C 34.088935 12.920263 26.043045 -0.133278 C 35.301108 13.018553 26.692243 -0.063064 C 35.876794 14.258005 26.893283 -0.200821 C 35.232368 15.397548 26.466550 0.265527 C 34.009103 15.310713 25.826744 -0.272289 C 32.109485 13.971853 24.911938 0.620676 C 37.002290 19.555550 26.114950 0.094527 C 7.603315 20.686544 26.597153 -0.065656 C 37.440232 21.164555 27.897309 0.111681 C 36.566110 20.470516 28.716437 -0.055467 C 35.232793 17.800866 26.379090 -0.046404 C 34.888057 18.641703 29.157551 -0.523017 C 7.221558 18.985347 24.737899 -0.520706 C 8.046988 22.407728 28.394186 -0.512720 C 8.623372 21.366365 25.735469 -0.045057 C 35.847205 19.365322 28.232180 0.115212 C 12.313342 22.501632 23.944011 -0.013425 C 11.084036 22.124717 24.474933 -0.270402 C 12.207858 21.049414 26.299261 -0.190521 C 12.369351 23.097773 22.592201 0.627280 C 31.340592 16.572958 0.819128 -0.054038 C 29.873709 17.850501 2.222299 0.273068 C 28.772903 18.679770 2.348206 -0.225988 C 28.400758 19.155154 3.593774 -0.014855 C 29.114863 18.764379 4.722826 -0.147894 C 30.176926 17.923500 4.596626 -0.059163 C 30.593460 17.471339 3.353699 -0.232228 C 27.206053 20.067140 3.725550 0.628886 C 27.835796 3.539974 20.970967 0.642104 C 29.264758 3.562497 21.424114 -0.000830 C 29.956479 4.769113 21.434680 -0.277519 C 31.299745 4.762508 21.765442 0.270608 C 31.921746 3.587304 22.120564 -0.210445 C 36.316848 32.068790 22.107357 -0.063594 C 34.983507 32.061435 21.735800 -0.145197 C 11.034608 21.418659 25.658868 0.266275 C 31.613774 6.987469 21.065471 -0.043822 C 32.747069 7.984077 20.791352 -0.066901 C 32.874413 9.157310 21.571152 0.105134 C 32.036265 9.318621 22.831101 -0.526217 C 33.725329 10.192388 21.158213 -0.066531 C 34.528409 10.039824 20.019182 0.111595 C 5.277975 11.158291 19.498826 -0.519503 C 33.632983 7.757736 19.728041 0.108162 C 33.589781 6.445847 18.991971 -0.511089 C 5.640197 9.589919 16.021274 0.266258 C 5.161566 10.565265 15.123785 -0.212596 C 5.859370 10.846686 14.025842 -0.051633 C 7.087495 10.258274 13.776083 -0.135393 C 7.554368 9.301434 14.639821 0.003132 C 6.857195 8.987809 15.791472 -0.277619 C 33.646277 11.590488 21.749300 -0.047398 C 35.126450 13.237449 22.486838 0.274194 C 34.183399 14.257872 22.296657 -0.271399 C 35.761432 15.955386 22.736304 -0.148224 C 6.626859 14.980756 22.947616 -0.070564 C 34.500885 15.607955 22.442815 0.012125 C 6.337140 13.599530 22.827873 -0.206345 C 4.426219 8.766605 19.355017 -0.073976 C 33.402170 16.627793 22.230329 0.593930 C 5.346074 8.590965 18.171669 -0.041600 C 36.039945 18.943939 26.917643 -0.064362 C 13.475374 22.180532 24.619623 -0.138937 C 13.418445 21.419171 25.770100 -0.046688 C 8.797018 8.560828 14.336941 0.635096 C 32.635757 28.332497 10.204028 -0.006151 C 32.992108 28.936278 9.024495 -0.133278 C 33.843841 30.020261 9.028017 -0.063064 C 34.313471 30.523917 10.225452 -0.200821 C 33.950694 29.932227 11.414670 0.265527 C 33.107879 28.835463 11.421127 -0.272289 C 31.704522 27.148476 10.228387 0.620676 C 34.498223 31.634158 15.579867 0.094528 C 30.168187 2.548755 16.629384 -0.065657 C 36.539508 31.728977 16.914655 0.111680 C 37.092136 30.747518 16.109615 -0.055467 C 34.207504 29.888688 13.805432 -0.046404 C 36.978907 29.064434 14.236274 -0.523017 C 28.048265 2.524402 15.214473 -0.520706 C 32.240717 2.644039 18.073056 -0.512720 C 29.596656 3.681508 17.426500 -0.045057 C 36.341215 30.146721 15.085925 0.115212 C 28.633679 7.590047 18.808540 -0.013435 C 28.890404 6.298898 18.358915 -0.270405 C 30.706340 7.128160 17.031464 -0.190517 C 27.409514 7.856464 19.593623 0.627301 C 8.446546 30.350471 16.281012 -0.054038 C 9.749371 28.639183 17.342562 0.273067 C 9.804424 27.512933 18.144961 -0.225989 C 11.024115 26.926545 18.435515 -0.014855 C 12.190208 27.451390 17.885810 -0.147893 C 12.126679 28.539784 17.071965 -0.059162 C 10.920360 29.168918 16.804010 -0.232228 C 11.080819 25.704747 19.318917 0.628886 C 25.654899 23.848377 0.474865 0.642109 C 26.341220 25.180625 0.431722 -0.000824 C 26.639984 25.831258 1.624168 -0.277519 C 27.188332 27.100186 1.569873 0.270607 C 27.472405 27.682601 0.355709 -0.210450 C 32.254710 31.322861 28.540637 -0.063596 C 31.666262 30.070869 28.587008 -0.145202 C 29.936303 6.069679 17.489307 0.266276 C 26.875281 27.472383 3.872588 -0.043849 C 26.941014 28.610914 4.898332 -0.066899 C 27.890040 28.577625 5.946675 0.105133 C 29.000418 27.537170 5.924370 -0.526217 C 27.778200 29.460071 7.030530 -0.066532 C 26.781083 30.445557 7.044031 0.111594 C 21.496508 1.674286 8.225911 -0.519503 C 26.021229 29.667199 4.827895 0.108162 C 25.109320 29.779500 3.636036 -0.511089 C 17.942669 2.650243 7.176101 0.266258 C 17.125360 2.304582 8.270815 -0.212594 C 16.212317 3.168865 8.707820 -0.051633 C 16.092233 4.435421 8.161637 -0.135393 C 16.877273 4.774678 7.090109 0.003131 C 17.838223 3.902833 6.613482 -0.277618 C 28.540340 29.249380 8.328633 -0.047398 C 29.743868 30.545032 9.851841 0.274194 C 29.544459 29.622400 10.889031 -0.271399 C 30.481154 31.063020 12.505275 -0.148224 C 25.631858 2.334771 11.510347 -0.070564 C 29.932732 29.878028 12.203862 0.012126 C 25.269601 2.102859 10.160885 -0.206345 C 20.872121 0.917039 5.880053 -0.073976 C 29.685215 28.805704 13.243694 0.593930 C 19.848204 2.025588 5.877118 -0.041600 C 35.031664 30.566477 14.858764 -0.064361 C 29.443025 8.630417 18.393253 -0.138932 C 30.447155 8.400739 17.473752 -0.046685 C 16.686168 6.068129 6.400996 0.635096 C 19.492092 29.773337 26.562227 -0.006147 C 18.487727 30.306834 27.329995 -0.133282 C 18.789171 31.119350 28.402110 -0.063066 C 20.107998 31.370013 28.727590 -0.200826 C 21.122445 30.828270 27.970388 0.265526 C 20.830420 30.023190 26.884185 -0.272292 C 19.190188 28.880242 25.387097 0.620650 C 25.519499 30.630931 29.053069 0.094527 C 21.672967 26.896466 0.120917 -0.065657 C 27.179333 32.417734 28.954163 0.111680 C 26.347733 33.120785 28.099230 -0.055467 C 23.491366 30.683225 27.582102 -0.046404 C 24.261966 33.363019 26.704276 -0.523017 C 19.931745 25.043818 0.301120 -0.520706 C 23.444339 28.695871 0.006750 -0.512720 C 22.515180 26.172421 1.126705 -0.045057 C 25.137070 32.566218 27.652539 0.115212 C 24.256876 24.897230 4.794731 -0.013425 C 23.677912 25.256818 3.582034 -0.270403 C 22.807685 27.248172 4.594278 -0.190521 C 24.853919 23.553030 4.944997 0.627280 C 21.624230 4.867096 27.681595 -0.054038 C 22.635901 6.015667 25.834961 0.273067 C 23.267507 5.963381 24.604655 -0.225987 C 23.673270 7.131348 23.982459 -0.014854 C 23.408610 8.359722 24.581176 -0.147897 C 22.759023 8.406487 25.775677 -0.059165 C 22.383641 7.246885 26.436908 -0.232231 C 24.370561 7.069491 22.645909 0.628922 C 8.186709 24.626533 23.529898 0.642109 C 8.450057 25.277752 24.854415 -0.000825 C 9.756101 25.357251 25.326051 -0.277519 C 9.976276 25.875881 26.589522 0.270607 C 8.922896 26.344441 27.341147 -0.210450 C 37.737595 26.262872 26.873619 -0.063596 C 37.505334 25.705627 25.628052 -0.145202 C 22.973639 26.438516 3.480780 0.266275 C 12.222321 25.173721 26.625328 -0.043822 C 13.395888 25.039481 27.603820 -0.066900 C 14.573784 25.800645 27.419509 0.105133 C 14.591337 26.924175 26.393178 -0.526217 C 15.737615 25.487914 28.136209 -0.066532 C 15.722765 24.478831 29.109419 0.111594 C 11.888953 19.773759 0.468996 -0.519503 C 13.322297 24.118911 28.659207 0.108162 C 12.021934 23.416373 28.942424 -0.511089 C 10.404203 16.422417 1.586308 0.266258 C 11.284788 15.442447 1.086203 -0.212596 C 11.679933 14.448464 1.878330 -0.051632 C 11.307215 14.390447 3.210477 -0.135393 C 10.442888 15.334894 3.700897 0.003132 C 10.016107 16.382898 2.907009 -0.277619 C 17.102323 26.027488 27.740292 -0.047399 C 18.975453 26.927824 28.802429 0.274194 C 19.822093 26.580556 27.739705 -0.271398 C 21.761566 27.198818 28.931858 -0.148222 C 15.884230 23.285238 0.648317 -0.070563 C 21.206391 26.737469 27.802806 0.012123 C 14.473921 23.159173 0.613686 -0.206344 C 9.387829 19.568513 0.058404 -0.073977 C 22.026185 26.345991 26.591576 0.593936 C 9.369941 18.532759 1.155760 -0.041599 C 24.754257 31.303155 28.100697 -0.064361 C 24.136483 25.738966 5.884162 -0.138936 C 23.376434 26.887837 5.789659 -0.046688 C 9.922610 15.230088 5.080296 0.635096 C 10.787978 20.330588 18.397362 -0.006151 C 11.792343 19.493835 17.980314 -0.133278 C 11.490899 18.315634 17.331116 -0.063064 C 10.172072 17.957372 17.130076 -0.200821 C 9.157625 18.784862 17.556809 0.265527 C 9.449650 19.975928 18.196615 -0.272289 C 11.089882 21.622359 19.111421 0.620676 C 34.851871 17.742020 17.908409 0.094527 C 33.620263 17.250489 17.426206 -0.065656 C 33.192037 17.581892 16.126050 0.111681 C 34.023637 18.326352 15.306922 -0.055467 C 6.788704 19.190022 17.644269 -0.046404 C 6.018104 19.671712 14.865808 -0.523017 C 35.361485 17.339681 19.285460 -0.520706 C 31.848891 17.103643 15.629173 -0.512720 C 32.778050 16.359788 18.287890 -0.045057 C 35.234300 18.848436 15.791179 0.115212 C 31.036354 12.914325 20.079348 -0.013425 C 31.615318 14.062393 19.548426 -0.270402 C 32.485545 12.773224 17.724098 -0.190521 C 30.439311 12.959723 21.431158 0.627280 C 33.669000 18.536594 13.855325 -0.054038 C 32.657329 20.198032 12.452154 0.273068 C 32.025723 21.422995 12.326247 -0.225988 C 31.619960 21.870028 11.080679 -0.014855 C 31.884620 21.100219 9.951627 -0.147894 C 32.534207 19.911484 10.077827 -0.059163 C 32.909589 19.424618 11.320754 -0.232228 C 30.922669 23.201503 10.948903 0.628886 C 22.093361 24.074291 23.052392 0.642104 C 21.830013 22.669625 22.599245 -0.000830 C 20.523969 22.191452 22.588679 -0.277519 C 20.303794 20.866336 22.257917 0.270608 C 21.357174 20.054932 21.902795 -0.210445 C 22.633775 20.529338 21.916002 -0.063594 C 22.866036 21.842314 22.287559 -0.145197 C 32.319591 13.991959 18.364491 0.266275 C 18.057749 20.932291 22.957888 -0.043849 C 16.884182 19.983435 23.232007 -0.066901 C 15.706286 20.055910 22.452207 0.105134 C 15.688733 20.909259 21.192258 -0.526217 C 14.542455 19.391876 22.865146 -0.066531 C 14.557305 18.574567 24.004177 0.111595 C 13.312977 17.934512 24.524533 -0.519503 C 16.957773 19.072030 24.295318 0.108162 C 18.258136 18.893221 25.031388 -0.511089 C 14.797727 17.312810 28.002085 0.266258 C 13.917142 17.949173 28.899574 -0.212595 C 8.443857 13.026282 0.648611 -0.051633 C 8.816575 11.716472 0.898370 -0.135393 C 9.680902 11.094822 0.034632 0.003132 C 15.185823 16.011655 28.231887 -0.277620 C 13.177747 19.705734 22.274059 -0.047398 C 11.304617 18.524728 21.536521 0.274194 C 10.457977 19.626457 21.726702 -0.271399 C 8.518504 18.357526 21.287055 -0.148224 C 9.317700 17.250044 21.075743 -0.070564 C 9.073679 19.541361 21.580544 0.012126 C 10.728009 17.302515 21.195486 -0.206345 C 15.814101 18.370436 24.668342 -0.073976 C 8.253885 20.796424 21.793030 0.593928 C 15.831989 17.434133 25.851690 -0.041599 C 35.617113 18.587349 17.105716 -0.064362 C 31.156747 11.714771 19.403736 -0.138936 C 31.916796 11.642398 18.253259 -0.046688 C 10.201180 9.745011 0.337512 0.635096 C 21.859553 19.244517 4.470425 -0.006151 C 21.204295 18.995170 5.649958 -0.133278 C 19.992122 18.338583 5.646436 -0.063064 C 19.416436 17.960684 4.449001 -0.200821 C 20.060862 18.218406 3.259783 0.265527 C 21.284127 18.864046 3.253326 -0.272289 C 23.183745 19.962584 4.446066 0.620676 C 23.369080 22.248532 28.443492 0.094528 C 22.676755 21.608077 27.393975 -0.065657 C 22.931138 20.252525 27.108704 0.111680 C 23.805260 19.542194 27.913744 -0.055467 C 20.060437 17.957933 0.869021 -0.046404 C 20.405173 15.087179 0.438179 -0.523017 C 23.058512 23.693484 28.808886 -0.520706 C 22.233082 19.581353 25.950303 -0.512720 C 21.656698 22.362572 26.596859 -0.045057 C 24.524165 20.180956 28.937434 0.115212 C 17.966728 23.971334 25.214819 -0.013435 C 19.196034 23.500399 25.664444 -0.270405 C 18.072212 21.850452 26.991895 -0.190517 C 17.910719 25.222901 24.429736 0.627301 C 23.952638 18.050214 27.742347 -0.054038 C 25.419521 16.477282 26.680797 0.273067 C 26.520327 16.232956 25.878398 -0.225989 C 26.892472 14.931800 25.587844 -0.014855 C 26.178367 13.871003 26.137549 -0.147893 C 25.116304 14.117296 26.951394 -0.059162 C 24.699770 15.412485 27.219349 -0.232228 C 28.087177 14.669722 24.704442 0.628886 C 27.457434 25.368523 14.199588 0.642109 C 26.028472 24.916872 14.242731 -0.000824 C 25.336751 24.732193 13.050285 -0.277519 C 23.993485 24.405851 13.104580 0.270607 C 23.371484 24.224139 14.318744 -0.210450 C 24.054522 24.407333 15.482722 -0.063596 C 25.387863 24.776059 15.436351 -0.145202 C 19.245462 22.430819 26.534052 0.266276 C 23.679456 24.777223 10.801865 -0.043822 C 22.546161 24.904569 9.776121 -0.066900 C 22.418817 23.963536 8.727778 0.105134 C 23.256965 22.693499 8.750083 -0.526217 C 21.567901 24.222692 7.643923 -0.066532 C 20.764821 25.371816 7.630422 0.111594 C 19.923955 25.725223 6.448542 -0.519502 C 21.660247 25.989418 9.846558 0.108162 C 21.703449 26.907200 11.038417 -0.511089 C 19.561733 29.392791 7.498352 0.266258 C 20.040364 30.140044 6.403638 -0.212594 C 14.264420 1.526130 5.966633 -0.051633 C 13.036295 1.858233 6.512816 -0.135393 C 12.569422 1.141705 7.584344 0.003131 C 18.344735 29.707124 8.060971 -0.277618 C 21.646953 23.435927 6.345820 -0.047398 C 20.166780 22.468312 4.822612 0.274194 C 21.109831 22.509160 3.785422 -0.271399 C 19.531798 21.829015 2.169178 -0.148224 C 18.575071 21.760645 3.164106 -0.070564 C 20.792345 22.169595 2.470591 0.012126 C 18.864790 22.078570 4.513568 -0.206345 C 20.775711 26.212863 8.794400 -0.073977 C 21.891060 22.232599 1.430759 0.593930 C 19.855856 27.409171 8.797335 -0.041599 C 24.331425 21.542562 29.164595 -0.064361 C 16.804696 23.349166 25.630106 -0.138932 C 16.861625 22.320678 26.549607 -0.046685 C 11.326772 1.548348 8.273457 0.635097 C 22.657473 7.065693 17.461132 -0.006147 C 22.301122 8.145685 16.693364 -0.133282 C 21.449389 7.985683 15.621249 -0.063066 C 20.979759 6.728072 15.295769 -0.200826 C 21.342536 5.636751 16.052971 0.265526 C 22.185351 5.788725 17.139174 -0.272292 C 23.588708 7.212550 18.636262 0.620650 C 25.873147 30.929177 14.970290 0.094527 C 25.125043 29.807732 14.553536 -0.065657 C 23.831862 29.594685 15.069196 0.111680 C 23.279234 30.533003 15.924129 -0.055467 C 21.085726 3.277329 16.441257 -0.046404 C 18.314323 2.970017 17.319083 -0.523017 C 27.244965 31.211332 14.373333 -0.520706 C 23.052513 28.365430 14.667703 -0.512720 C 25.696574 28.855410 13.547748 -0.045057 C 24.030155 31.632715 16.370820 0.115212 C 26.659551 26.923497 9.879722 -0.013425 C 26.402826 27.554840 11.092419 -0.270403 C 24.586890 28.748642 10.080175 -0.190521 C 27.883716 26.108172 9.729456 0.627280 C 21.833524 30.420731 16.341764 -0.054038 C 20.530699 29.617400 18.188398 0.273067 C 20.475646 28.986029 19.418704 -0.225986 C 19.255955 28.783189 20.040900 -0.014854 C 18.089862 29.251351 19.442183 -0.147897 C 18.153391 29.899513 18.247682 -0.059165 C 19.359710 30.073820 17.586451 -0.232231 C 19.199251 28.085460 21.377450 0.628922 C 29.638331 17.340366 20.493461 0.642109 C 28.952010 17.190693 19.168944 -0.000825 C 28.653246 15.916797 18.697308 -0.277519 C 28.104898 15.787303 17.433837 0.270607 C 27.820825 16.904648 16.682212 -0.210450 C 28.116660 18.149174 17.149740 -0.063596 C 28.705108 18.284065 18.395307 -0.145202 C 25.356927 28.448432 11.193673 0.266275 C 28.417949 13.454976 17.398031 -0.043849 C 28.352216 12.275588 16.419539 -0.066899 C 27.403190 11.243037 16.603850 0.105133 C 26.292812 11.415341 17.630181 -0.526217 C 27.515030 10.043123 15.887150 -0.066532 C 28.512147 9.887469 14.913940 0.111594 C 28.718582 8.589691 14.205457 -0.519503 C 29.272001 12.192769 15.364152 0.108162 C 30.183910 13.355923 15.080935 -0.511089 C 32.272421 9.487581 13.088145 0.266258 C 33.089730 8.454249 13.588250 -0.212596 C 3.911473 7.897028 12.796123 -0.051632 C 4.031557 8.254609 11.463976 -0.135393 C 3.246517 9.265923 10.973556 0.003132 C 32.376867 9.863441 11.767444 -0.277618 C 26.752890 8.789046 16.283067 -0.047399 C 25.549362 7.094720 15.220930 0.274194 C 25.748771 6.201618 16.283654 -0.271398 C 24.812076 4.394299 15.091501 -0.148222 C 24.583232 5.244305 14.026136 -0.070563 C 25.360498 4.863655 16.220553 0.012123 C 24.945489 6.613112 14.060767 -0.206344 C 29.342969 11.020305 14.616049 -0.073977 C 25.608015 3.989554 17.431783 0.593936 C 30.366886 10.863145 13.518693 -0.041599 C 25.339706 31.796886 15.922662 -0.064361 C 25.850205 27.184212 8.790291 -0.138936 C 24.846075 28.127241 8.884794 -0.046688 C 3.437622 9.761052 9.594157 0.635096 C 6.813903 19.890873 3.722909 -0.006151 C 6.158645 21.022041 3.305861 -0.133278 C 4.946472 20.923751 2.656663 -0.063064 C 4.370786 19.684299 2.455623 -0.200821 C 5.015212 18.544756 2.882356 0.265527 C 6.238477 18.631591 3.522162 -0.272290 C 8.138095 19.970451 4.436968 0.620676 C 3.245290 14.386754 3.233956 0.094527 C 32.644265 13.255760 2.751753 -0.065656 C 2.807348 12.777749 1.451597 0.111681 C 3.681470 13.471788 0.632469 -0.055467 C 5.014787 16.141438 2.969816 -0.046404 C 5.359523 15.300601 0.191355 -0.523017 C 33.026022 14.956957 4.611007 -0.520706 C 2.109292 11.534576 0.954720 -0.512720 C 31.624208 12.575939 3.613437 -0.045057 C 4.400375 14.576982 1.116726 0.115211 C 27.934238 11.440672 5.404895 -0.013425 C 29.163544 11.817587 4.873973 -0.270403 C 28.039722 12.892890 3.049645 -0.190521 C 27.878229 10.844531 6.756705 0.627280 C 8.906988 17.369346 28.529778 -0.054038 C 10.373871 16.091803 27.126607 0.273068 C 11.474677 15.262534 27.000700 -0.225988 C 11.846822 14.787150 25.755132 -0.014855 C 11.132717 15.177925 24.626080 -0.147894 C 10.070654 16.018804 24.752280 -0.059163 C 9.654120 16.470965 25.995207 -0.232229 C 13.041527 13.875164 25.623356 0.628886 C 12.411784 30.402330 8.377939 0.642109 C 10.982822 30.379807 7.924792 -0.000824 C 10.291101 29.173191 7.914226 -0.277519 C 8.947835 29.179796 7.583464 0.270607 C 8.325834 30.355000 7.228342 -0.210450 C 3.930732 1.873514 7.241549 -0.063596 C 5.264073 1.880869 7.613106 -0.145202 C 29.212972 12.523645 3.690038 0.266275 C 8.633806 26.954835 8.283435 -0.043822 C 7.500511 25.958227 8.557554 -0.066900 C 7.373167 24.784994 7.777754 0.105134 C 8.211315 24.623683 6.517805 -0.526217 C 6.522251 23.749916 8.190693 -0.066532 C 5.719171 23.902480 9.329724 0.111594 C 34.969605 22.784013 9.850080 -0.519503 C 6.614597 26.184568 9.620865 0.108162 C 6.657799 27.496457 10.356935 -0.511089 C 34.607383 24.352385 13.327632 0.266258 C 35.086014 23.377039 14.225121 -0.212595 C 34.388210 23.095618 15.323064 -0.051633 C 33.160085 23.684030 15.572823 -0.135393 C 32.693212 24.640870 14.709085 0.003132 C 33.390385 24.954495 13.557434 -0.277619 C 6.601303 22.351816 7.599606 -0.047398 C 5.121130 20.704855 6.862068 0.274194 C 6.064181 19.684432 7.052249 -0.271399 C 4.486148 17.986918 6.612602 -0.148224 C 33.620721 18.961548 6.401290 -0.070564 C 5.746695 18.334349 6.906091 0.012125 C 33.910440 20.342774 6.521033 -0.206345 C 35.821361 25.175699 9.993889 -0.073977 C 6.845410 17.314511 7.118577 0.593930 C 34.901506 25.351339 11.177237 -0.041599 C 4.207635 14.998365 2.431263 -0.064362 C 26.772206 11.761772 4.729283 -0.138936 C 26.829135 12.523133 3.578806 -0.046687 C 31.450562 25.381476 15.011965 0.635096 C 7.611823 5.609807 19.144878 -0.006151 C 7.255472 5.006026 20.324411 -0.133278 C 6.403739 3.922043 20.320889 -0.063064 C 5.934109 3.418387 19.123454 -0.200822 C 6.296886 4.010077 17.934236 0.265527 C 7.139701 5.106841 17.927779 -0.272289 C 8.543058 6.793828 19.120519 0.620676 C 5.749357 2.308146 13.769039 0.094527 C 10.079393 31.393549 12.719522 -0.065656 C 3.708072 2.213327 12.434251 0.111681 C 3.155444 3.194786 13.239291 -0.055467 C 6.040076 4.053616 15.543474 -0.046404 C 3.268673 4.877870 15.112632 -0.523017 C 12.199315 31.417902 14.134433 -0.520706 C 2.928723 1.638548 11.275850 -0.512720 C 10.650924 30.260796 11.922406 -0.045057 C 3.906365 3.795583 14.262981 0.115211 C 11.613901 26.352257 10.540366 -0.013425 C 11.357176 27.643406 10.989991 -0.270402 C 9.541240 26.814144 12.317442 -0.190521 C 12.838066 26.085840 9.755283 0.627280 C 31.801034 3.591833 13.067894 -0.054038 C 30.498209 5.303121 12.006344 0.273067 C 30.443156 6.429371 11.203945 -0.225988 C 29.223465 7.015759 10.913391 -0.014855 C 28.057372 6.490914 11.463096 -0.147894 C 28.120901 5.402520 12.276941 -0.059163 C 29.327220 4.773386 12.544896 -0.232229 C 29.166761 8.237557 10.029989 0.628886 C 14.592681 10.093927 28.874041 0.642109 C 13.906360 8.761679 28.917184 -0.000825 C 13.607596 8.111046 27.724738 -0.277519 C 13.059248 6.842118 27.779033 0.270607 C 12.775175 6.259703 28.993197 -0.210450 C 7.992870 2.619443 0.808269 -0.063596 C 8.581318 3.871435 0.761898 -0.145202 C 10.311277 27.872625 11.859599 0.266275 C 13.372299 6.469921 25.476318 -0.043849 C 13.306566 5.331390 24.450574 -0.066900 C 12.357540 5.364679 23.402231 0.105133 C 11.247162 6.405134 23.424536 -0.526217 C 12.469380 4.482233 22.318376 -0.066533 C 13.466497 3.496747 22.304875 0.111595 C 18.751072 32.268018 21.122995 -0.519502 C 14.226351 4.275105 24.521011 0.108162 C 15.138260 4.162804 25.712870 -0.511089 C 22.304911 31.292061 22.172805 0.266256 C 23.122220 31.637722 21.078091 -0.212596 C 24.035263 30.773439 20.641086 -0.051634 C 24.155347 29.506883 21.187269 -0.135397 C 23.370307 29.167626 22.258797 0.003140 C 22.409357 30.039471 22.735424 -0.277611 C 11.707240 4.692924 21.020273 -0.047398 C 10.503712 3.397272 19.497065 0.274194 C 10.703121 4.319904 18.459875 -0.271399 C 9.766426 2.879284 16.843631 -0.148225 C 14.615722 31.607533 17.838559 -0.070564 C 10.314848 4.064276 17.145044 0.012125 C 14.977979 31.839445 19.188021 -0.206345 C 19.375459 33.025265 23.468853 -0.073975 C 10.562365 5.136600 16.105212 0.593930 C 20.399376 31.916716 23.471788 -0.041600 C 5.215916 3.375827 14.490142 -0.064362 C 10.804555 25.311887 10.955653 -0.138936 C 9.800425 25.541565 11.875154 -0.046688 C 23.561412 27.874175 22.947910 0.635094 C 20.755488 4.168967 2.786679 -0.006152 C 21.759853 3.635470 2.018911 -0.133279 C 21.458409 2.822954 0.946796 -0.063064 C 20.139582 2.572291 0.621316 -0.200821 C 19.125135 3.114034 1.378518 0.265527 C 19.417160 3.919114 2.464721 -0.272289 C 21.057392 5.062062 3.961809 0.620676 C 14.728081 3.311373 0.295837 0.094527 C 18.574613 7.045838 29.227989 -0.065656 C 13.068247 1.524570 0.394743 0.111681 C 13.899847 0.821519 1.249676 -0.055467 C 16.756214 3.259079 1.766804 -0.046404 C 15.985614 0.579285 2.644630 -0.523017 C 20.315835 8.898486 29.047786 -0.520706 C 11.725101 0.963846 -0.006750 -0.512720 C 17.732400 7.769883 28.222201 -0.045057 C 15.110510 1.376086 1.696367 0.115211 C 15.990704 9.045074 24.554175 -0.013426 C 16.569668 8.685486 25.766872 -0.270403 C 17.439895 6.694132 24.754628 -0.190520 C 15.393661 10.389274 24.403909 0.627280 C 18.623350 29.075208 1.667311 -0.054038 C 17.611679 27.926637 3.513945 0.273068 C 16.980073 27.978923 4.744251 -0.225988 C 16.574310 26.810956 5.366447 -0.014855 C 16.838970 25.582582 4.767730 -0.147894 C 17.488557 25.535817 3.573229 -0.059163 C 17.863939 26.695419 2.911998 -0.232227 C 15.877019 26.872813 6.702997 0.628886 C 32.060871 9.315771 5.819008 0.642109 C 31.797523 8.664552 4.494491 -0.000824 C 30.491479 8.585053 4.022855 -0.277519 C 30.271304 8.066423 2.759384 0.270607 C 31.324684 7.597863 2.007759 -0.210450 C 2.509985 7.679432 2.475287 -0.063596 C 2.742246 8.236677 3.720854 -0.145202 C 17.273941 7.503788 25.868126 0.266275 C 28.025259 8.768583 2.723578 -0.043822 C 26.851692 8.902823 1.745086 -0.066900 C 25.673796 8.141659 1.929397 0.105134 C 25.656243 7.018129 2.955728 -0.526217 C 24.509965 8.454390 1.212697 -0.066531 C 24.524815 9.463473 0.239487 0.111594 C 28.358627 14.168545 28.879910 -0.519503 C 26.925283 9.823393 0.689699 0.108162 C 28.225646 10.525931 0.406482 -0.511089 C 29.843377 17.519887 27.762598 0.266258 C 28.962792 18.499857 28.262703 -0.212595 C 28.567647 19.493840 27.470576 -0.051633 C 28.940365 19.551857 26.138429 -0.135393 C 29.804692 18.607410 25.648009 0.003131 C 30.231473 17.559406 26.441897 -0.277618 C 23.145257 7.914816 1.608614 -0.047398 C 21.272127 7.014480 0.546477 0.274194 C 20.425487 7.361748 1.609201 -0.271399 C 18.486014 6.743486 0.417048 -0.148224 C 24.363350 10.657066 28.700589 -0.070563 C 19.041189 7.204835 1.546100 0.012125 C 25.773659 10.783131 28.735220 -0.206346 C 30.859751 14.373791 29.290502 -0.073977 C 18.221395 7.596313 2.757330 0.593930 C 30.877639 15.409545 28.193146 -0.041599 C 15.493323 2.639149 1.248209 -0.064362 C 16.111097 8.203338 23.464744 -0.138935 C 16.871146 7.054467 23.559247 -0.046687 C 30.324970 18.712216 24.268610 0.635096 C 29.459602 13.611716 10.951544 -0.006151 C 28.455237 14.448469 11.368592 -0.133278 C 28.756681 15.626670 12.017790 -0.063064 C 30.075508 15.984932 12.218830 -0.200821 C 31.089955 15.157442 11.792097 0.265527 C 30.797930 13.966376 11.152291 -0.272289 C 29.157698 12.319945 10.237485 0.620676 C 5.395709 16.200284 11.440497 0.094527 C 6.627317 16.691815 11.922700 -0.065656 C 7.055543 16.360412 13.222856 0.111681 C 6.223943 15.615952 14.041984 -0.055467 C 33.458876 14.752282 11.704637 -0.046404 C 34.229476 14.270592 14.483098 -0.523017 C 4.886095 16.602623 10.063446 -0.520706 C 8.398689 16.838661 13.719733 -0.512720 C 7.469530 17.582516 11.061016 -0.045057 C 5.013280 15.093868 13.557727 0.115211 C 9.211226 21.027979 9.269558 -0.013425 C 8.632262 19.879911 9.800480 -0.270403 C 7.762035 21.169080 11.624808 -0.190521 C 9.808269 20.982581 7.917748 0.627280 C 6.578580 15.405710 15.493581 -0.054038 C 7.590251 13.744272 16.896752 0.273067 C 8.221857 12.519309 17.022659 -0.225988 C 8.627620 12.072276 18.268227 -0.014855 C 8.362960 12.842085 19.397279 -0.147894 C 7.713373 14.030820 19.271079 -0.059163 C 7.337991 14.517686 18.028152 -0.232229 C 9.324911 10.740801 18.400003 0.628886 C 18.154219 9.868013 6.296514 0.642109 C 18.417567 11.272679 6.749661 -0.000824 C 19.723611 11.750852 6.760227 -0.277519 C 19.943786 13.075968 7.090989 0.270607 C 18.890406 13.887372 7.446111 -0.210450 C 17.613805 13.412966 7.432904 -0.063596 C 17.381544 12.099990 7.061347 -0.145202 C 7.927989 19.950345 10.984415 0.266275 C 22.189831 13.010013 6.391018 -0.043849 C 23.363398 13.958869 6.116899 -0.066899 C 24.541294 13.886394 6.896699 0.105134 C 24.558847 13.033045 8.156648 -0.526217 C 25.705125 14.550428 6.483760 -0.066532 C 25.690275 15.367737 5.344729 0.111594 C 26.934603 16.007792 4.824373 -0.519502 C 23.289807 14.870274 5.053588 0.108162 C 21.989444 15.049083 4.317518 -0.511089 C 25.449853 16.629494 1.346821 0.266259 C 26.330438 15.993131 0.449332 -0.212595 C 31.803723 20.916022 28.700295 -0.051633 C 31.431005 22.225832 28.450536 -0.135393 C 25.488538 18.564895 -0.034632 0.003132 C 25.061757 17.930649 1.117019 -0.277620 C 27.069833 14.236570 7.074847 -0.047398 C 28.942963 15.417576 7.812385 0.274194 C 29.789603 14.315847 7.622204 -0.271399 C 31.729076 15.584778 8.061851 -0.148224 C 30.929880 16.692260 8.273163 -0.070564 C 31.173901 14.400943 7.768362 0.012126 C 29.519571 16.639789 8.153420 -0.206345 C 24.433479 15.571868 4.680564 -0.073977 C 31.993695 13.145880 7.555876 0.593928 C 24.415591 16.508171 3.497216 -0.041599 C 4.630467 15.354955 12.243190 -0.064362 C 9.090833 22.227533 9.945170 -0.138935 C 8.330784 22.299906 11.095647 -0.046688 C 30.046400 24.197293 29.011394 0.635096 C 18.388027 14.697787 24.878481 -0.006151 C 19.043285 14.947134 23.698948 -0.133278 C 20.255458 15.603721 23.702470 -0.063064 C 20.831144 15.981620 24.899905 -0.200822 C 20.186718 15.723898 26.089123 0.265527 C 18.963453 15.078258 26.095580 -0.272289 C 17.063835 13.979720 24.902840 0.620675 C 16.878500 11.693772 0.905414 0.094528 C 17.570825 12.334227 1.954931 -0.065656 C 17.316442 13.689779 2.240202 0.111681 C 16.442320 14.400110 1.435162 -0.055467 C 20.187143 15.984371 28.479885 -0.046404 C 19.842407 18.855125 28.910727 -0.523017 C 17.189068 10.248820 0.540020 -0.520706 C 18.014498 14.360951 3.398603 -0.512720 C 18.590882 11.579732 2.752047 -0.045057 C 15.723415 13.761348 0.411472 0.115211 C 22.280852 9.970970 4.134087 -0.013425 C 21.051546 10.441905 3.684462 -0.270402 C 22.175368 12.091852 2.357011 -0.190521 C 22.336861 8.719403 4.919170 0.627280 C 16.294942 15.892090 1.606559 -0.054038 C 14.828059 17.465022 2.668109 0.273067 C 13.727253 17.709348 3.470508 -0.225988 C 13.355108 19.010504 3.761062 -0.014855 C 14.069213 20.071301 3.211357 -0.147894 C 15.131276 19.825008 2.397512 -0.059163 C 15.547810 18.529819 2.129557 -0.232229 C 12.160403 19.272582 4.644464 0.628886 C 12.790146 8.573781 15.149318 0.642109 C 14.219108 9.025432 15.106175 -0.000825 C 14.910829 9.210111 16.298621 -0.277519 C 16.254095 9.536453 16.244326 0.270607 C 16.876096 9.718165 15.030162 -0.210450 C 16.193058 9.534971 13.866184 -0.063596 C 14.859717 9.166245 13.912555 -0.145202 C 21.002118 11.511485 2.814854 0.266275 C 16.568124 9.165081 18.547041 -0.043822 C 17.701419 9.037735 19.572785 -0.066901 C 17.828763 9.978768 20.621128 0.105133 C 16.990615 11.248805 20.598823 -0.526217 C 18.679679 9.719612 21.704983 -0.066533 C 19.482759 8.570488 21.718484 0.111595 C 20.323625 8.217081 22.900364 -0.519502 C 18.587333 7.952886 19.502348 0.108162 C 18.544131 7.035104 18.310489 -0.511089 C 20.685847 4.549513 21.850554 0.266256 C 20.207216 3.802260 22.945268 -0.212596 C 25.983160 32.416174 23.382273 -0.051634 C 27.211285 32.084071 22.836090 -0.135397 C 22.600018 3.140882 21.764562 0.003140 C 21.902845 4.235180 21.287935 -0.277611 C 18.600627 10.506377 23.003086 -0.047398 C 20.080800 11.473992 24.526294 0.274194 C 19.137749 11.433144 25.563484 -0.271399 C 20.715782 12.113289 27.179728 -0.148225 C 21.672509 12.181659 26.184800 -0.070565 C 19.455235 11.772709 26.878315 0.012125 C 21.382790 11.863734 24.835338 -0.206345 C 19.471869 7.729441 20.554506 -0.073975 C 18.356520 11.709705 27.918147 0.593930 C 20.391724 6.533133 20.551571 -0.041600 C 15.916155 12.399742 0.184311 -0.064362 C 23.442884 10.593138 3.718800 -0.138936 C 23.385955 11.621626 2.799299 -0.046688 C 28.920808 32.393956 21.075449 0.635094 C 17.590107 26.876611 11.887774 -0.006152 C 17.946458 25.796619 12.655542 -0.133279 C 18.798191 25.956621 13.727657 -0.063064 C 19.267821 27.214232 14.053137 -0.200821 C 18.905044 28.305553 13.295935 0.265527 C 18.062229 28.153579 12.209732 -0.272289 C 16.658872 26.729754 10.712644 0.620676 C 14.374433 3.013127 14.378616 0.094527 C 15.122537 4.134572 14.795370 -0.065656 C 16.415718 4.347619 14.279710 0.111681 C 16.968346 3.409301 13.424777 -0.055467 C 19.161854 30.664975 12.907649 -0.046404 C 21.933257 30.972287 12.029823 -0.523017 C 13.002615 2.730972 14.975573 -0.520706 C 17.195067 5.576874 14.681203 -0.512720 C 14.551006 5.086894 15.801158 -0.045057 C 16.217425 2.309589 12.978086 0.115211 C 13.588029 7.018807 19.469184 -0.013426 C 13.844754 6.387464 18.256487 -0.270403 C 15.660690 5.193662 19.268731 -0.190520 C 12.363864 7.834132 19.619450 0.627280 C 18.414056 3.521573 13.007142 -0.054038 C 19.716881 4.324904 11.160508 0.273068 C 19.771934 4.956275 9.930202 -0.225988 C 20.991625 5.159115 9.308006 -0.014855 C 22.157718 4.690953 9.906723 -0.147894 C 22.094189 4.042791 11.101224 -0.059163 C 20.887870 3.868484 11.762455 -0.232227 C 21.048329 5.856844 7.971456 0.628886 C 10.609249 16.601938 8.855445 0.642109 C 11.295570 16.751611 10.179962 -0.000825 C 11.594334 18.025507 10.651598 -0.277519 C 12.142682 18.155001 11.915069 0.270607 C 12.426755 17.037656 12.666694 -0.210450 C 12.130920 15.793130 12.199166 -0.063596 C 11.542472 15.658239 10.953599 -0.145202 C 14.890653 5.493872 18.155233 0.266275 C 11.829631 20.487328 11.950875 -0.043849 C 11.895364 21.666716 12.929367 -0.066899 C 12.844390 22.699267 12.745056 0.105134 C 13.954768 22.526963 11.718725 -0.526217 C 12.732550 23.899181 13.461756 -0.066531 C 11.735433 24.054835 14.434966 0.111594 C 11.528998 25.352613 15.143449 -0.519503 C 10.975579 21.749535 13.984754 0.108162 C 10.063670 20.586381 14.267971 -0.511089 C 7.975159 24.454723 16.260761 0.266258 C 7.157850 25.488055 15.760656 -0.212595 C 36.336107 26.045276 16.552783 -0.051633 C 36.216023 25.687695 17.884930 -0.135393 C 6.909763 24.676381 18.375350 0.003131 C 7.870713 24.078863 17.581462 -0.277619 C 13.494690 25.153258 13.065839 -0.047398 C 14.698218 26.847584 14.127976 0.274194 C 14.498809 27.740686 13.065252 -0.271399 C 15.435504 29.548005 14.257405 -0.148224 C 15.664348 28.697999 15.322770 -0.070563 C 14.887082 29.078649 13.128353 0.012125 C 15.302091 27.329192 15.288139 -0.206346 C 10.904611 22.921999 14.732857 -0.073977 C 14.639565 29.952750 11.917123 0.593930 C 9.880694 23.079159 15.830213 -0.041600 C 14.907874 2.145418 13.426244 -0.064362 C 14.397375 6.758092 20.558615 -0.138935 C 15.401505 5.815063 20.464112 -0.046687 C 36.809958 24.181252 19.754749 0.635096 O 32.252154 16.253542 21.883131 -0.589743 O 33.697111 17.802032 22.456022 -0.526657 O 34.889062 11.915835 22.365040 -0.189108 O 4.825036 9.339457 17.083411 -0.211431 O 9.326956 7.993674 15.255268 -0.604709 O 31.572986 15.041270 24.565621 -0.569438 O 31.639178 12.817211 24.727040 -0.577393 O 32.089291 5.888957 21.775421 -0.207568 O 27.134088 4.547210 21.184334 -0.554267 O 32.528609 32.163155 20.388098 -0.569233 O 35.883482 16.573472 26.740375 -0.215849 O 9.907496 20.968560 26.265510 -0.201850 O 30.194348 17.445115 0.950318 -0.211593 O 26.873825 20.347795 4.921225 -0.608223 O 26.635416 20.481968 2.696284 -0.536813 O 11.345909 23.295177 21.961199 -0.589597 O 13.482699 23.306602 22.033398 -0.570686 O 9.318884 8.562420 13.231954 -0.567864 O 29.099246 27.739280 12.923497 -0.589743 O 30.122231 29.030114 14.373040 -0.526657 O 29.396922 30.363591 8.561663 -0.189108 O 18.805391 1.675511 6.774901 -0.211431 O 17.590553 6.450935 5.707188 -0.604708 O 31.428409 26.651444 11.336602 -0.569438 O 31.280489 26.743926 9.112542 -0.577393 O 27.491622 27.849294 2.683077 -0.207570 O 25.887932 23.096560 1.440738 -0.554302 O 29.952003 27.873754 28.882258 -0.569246 O 34.495001 30.499622 12.538733 -0.215849 O 30.273711 4.868397 16.956330 -0.201848 O 8.505187 29.177508 17.125087 -0.211594 O 12.230871 25.170781 19.423986 -0.608223 O 10.039685 25.304063 19.878014 -0.536813 O 26.649461 6.948261 19.880068 -0.589616 O 27.082103 9.042069 19.880949 -0.570681 O 15.696739 6.766992 6.562122 -0.567864 O 21.463228 25.847881 25.582561 -0.589734 O 23.233356 26.582682 26.650568 -0.526651 O 17.632733 26.805721 28.809180 -0.189107 O 10.019769 17.363513 0.679721 -0.211431 O 9.453022 16.228032 5.559270 -0.604709 O 20.153728 28.435141 24.735258 -0.569389 O 17.972737 28.658482 25.147904 -0.577406 O 11.219812 25.970675 27.170043 -0.207570 O 9.061079 24.713253 22.646496 -0.554302 O 37.191312 24.020189 23.411329 -0.569246 O 22.391383 31.163238 28.369533 -0.215851 O 22.339787 26.889358 2.369044 -0.201849 O 22.290440 4.812526 26.399047 -0.211593 O 24.591124 8.198515 22.102368 -0.608234 O 24.683139 5.959690 22.168696 -0.536897 O 24.875777 22.778175 4.004952 -0.589598 O 25.247638 23.153446 6.076691 -0.570685 O 10.012248 14.210914 5.748570 -0.567863 O 8.816842 21.866788 22.140228 -0.589741 O 7.046714 20.703875 21.567337 -0.526656 O 12.647337 18.535679 21.658319 -0.189108 O 15.182161 18.074012 26.939948 -0.211431 O 15.748908 13.409550 28.768091 -0.604708 O 10.126342 22.331636 19.457738 -0.569438 O 12.307333 21.891066 19.296319 -0.577393 O 19.060258 20.278211 22.247938 -0.207568 O 21.218991 24.935914 22.839025 -0.554267 O 23.180058 24.279169 23.635261 -0.569233 O 7.888687 18.341533 17.282984 -0.215849 O 32.953443 15.026948 17.757849 -0.201850 O 33.002790 19.813580 13.724135 -0.211593 O 30.702106 23.576329 9.753228 -0.608223 O 30.610091 23.833960 11.978169 -0.536813 O 30.417453 14.001800 22.062160 -0.589597 O 30.045592 11.897585 21.989961 -0.570686 O 10.111542 9.230899 1.442499 -0.567864 O 23.041076 22.630196 1.750956 -0.589743 O 21.596119 21.839722 0.301413 -0.526657 O 20.404168 22.779662 6.112790 -0.189108 O 20.376894 28.377949 7.899552 -0.211431 O 15.874974 30.381253 8.967265 -0.604708 O 23.720244 20.150858 3.337851 -0.569438 O 23.654052 20.312264 5.561911 -0.577393 O 23.203939 24.233328 11.991376 -0.207571 O 28.159142 25.011956 13.233715 -0.554302 O 27.842761 26.094950 15.141101 -0.569246 O 19.409748 17.777658 2.135720 -0.215849 O 20.372574 21.895524 27.067029 -0.201848 O 25.098882 17.794468 26.898272 -0.211594 O 28.419405 13.446053 24.599373 -0.608223 O 28.657814 15.628305 24.145345 -0.536814 O 18.934161 25.818787 24.143291 -0.589616 O 16.797371 25.745696 24.142410 -0.570681 O 10.804906 2.641525 8.112331 -0.567864 O 26.193984 4.460377 18.440798 -0.589734 O 25.170999 2.839640 17.372791 -0.526651 O 25.896308 8.397576 15.214179 -0.189107 O 31.409699 10.025318 13.994732 -0.211431 O 32.624537 10.392316 9.115183 -0.604709 O 23.864821 6.187716 19.288101 -0.569389 O 24.012741 8.375116 18.875455 -0.577406 O 27.801608 14.577600 16.853316 -0.207570 O 29.405298 16.493171 21.376863 -0.554302 O 30.419367 18.309152 20.612030 -0.569246 O 20.798229 4.442541 15.653826 -0.215851 O 25.019519 29.149277 12.305409 -0.201849 O 21.774883 29.754867 17.624312 -0.211593 O 18.049199 28.058592 21.920991 -0.608234 O 20.240385 27.590078 21.854663 -0.536897 O 28.643769 25.955865 10.669501 -0.589598 O 28.211127 25.652667 8.597762 -0.570685 O 4.427051 9.500706 8.925883 -0.567864 O 7.995426 17.688762 7.465775 -0.589743 O 6.550469 16.140272 6.892884 -0.526657 O 5.358518 22.026469 6.983866 -0.189108 O 35.422544 24.602847 12.265495 -0.211431 O 30.920624 25.948630 14.093638 -0.604709 O 8.674594 18.901034 4.783285 -0.569438 O 8.608402 21.125093 4.621866 -0.577393 O 8.158289 28.053347 7.573485 -0.207571 O 13.113492 29.395094 8.164572 -0.554302 O 7.718971 1.779149 8.960808 -0.569246 O 4.364098 17.368832 2.608531 -0.215849 O 30.340084 12.973744 3.083396 -0.201850 O 10.053232 16.497189 28.398588 -0.211593 O 13.373755 13.594509 24.427681 -0.608223 O 13.612164 13.460336 26.652622 -0.536813 O 28.901671 10.647127 7.387707 -0.589598 O 26.764881 10.635702 7.315508 -0.570685 O 30.928696 25.379884 16.116952 -0.567864 O 11.148334 6.203024 16.425409 -0.589742 O 10.125349 4.912190 14.975866 -0.526657 O 10.850658 3.578713 20.787243 -0.189108 O 21.442189 32.266793 22.574005 -0.211433 O 22.657027 27.491369 23.641718 -0.604719 O 8.819171 7.290860 18.012304 -0.569438 O 8.967091 7.198378 20.236364 -0.577393 O 12.755958 6.093010 26.665829 -0.207570 O 14.359648 10.845744 27.908168 -0.554302 O 10.295577 6.068550 0.466648 -0.569246 O 5.752579 3.442682 16.810173 -0.215849 O 9.973869 29.073907 12.392576 -0.201850 O 31.742393 4.764796 12.223819 -0.211593 O 28.016709 8.771523 9.924920 -0.608223 O 30.207895 8.638241 9.470892 -0.536813 O 13.598119 26.994043 9.468838 -0.589597 O 13.165477 24.900235 9.467957 -0.570685 O 24.550841 27.175312 22.786784 -0.567872 O 18.784352 8.094423 3.766345 -0.589743 O 17.014224 7.359622 2.698338 -0.526657 O 22.614847 7.136583 0.539726 -0.189108 O 30.227811 16.578791 28.669185 -0.211430 O 30.794558 17.714272 23.789636 -0.604708 O 20.093852 5.507163 4.613648 -0.569438 O 22.274843 5.283822 4.201002 -0.577393 O 29.027768 7.971629 2.178863 -0.207570 O 31.186501 9.229051 6.702410 -0.554302 O 3.056268 9.922115 5.937577 -0.569246 O 17.856197 2.779066 0.979373 -0.215848 O 17.907793 7.052946 26.979862 -0.201849 O 17.957140 29.129778 2.949859 -0.211593 O 15.656456 25.743789 7.246538 -0.608224 O 15.564441 27.982614 7.180210 -0.536813 O 15.371803 11.164129 25.343954 -0.589598 O 14.999942 10.788858 23.272215 -0.570685 O 30.235332 19.731390 23.600336 -0.567864 O 31.430738 12.075516 7.208678 -0.589741 O 33.200866 13.238429 7.781569 -0.526657 O 27.600243 15.406625 7.690587 -0.189108 O 25.065419 15.868292 2.408958 -0.211431 O 24.498672 20.532754 0.580815 -0.604709 O 30.121238 11.610668 9.891168 -0.569438 O 27.940247 12.051238 10.052587 -0.577393 O 21.187322 13.664093 7.100968 -0.207570 O 19.028589 9.006390 6.509881 -0.554302 O 17.067522 9.663135 5.713645 -0.569246 O 32.358893 15.600771 12.065922 -0.215849 O 7.294137 18.915356 11.591057 -0.201850 O 7.244790 14.128724 15.624771 -0.211593 O 9.545474 10.365975 19.595678 -0.608223 O 9.637489 10.108344 17.370737 -0.536813 O 9.830127 19.940504 7.286746 -0.589598 O 10.201988 22.044719 7.358945 -0.570685 O 30.136038 24.711405 27.906407 -0.567864 O 17.206504 11.312108 27.597950 -0.589742 O 18.651461 12.102582 29.047493 -0.526657 O 19.843412 11.162642 23.236116 -0.189108 O 19.870686 5.564355 21.449354 -0.211433 O 24.372606 3.561051 20.381641 -0.604720 O 16.527336 13.791446 26.011055 -0.569438 O 16.593528 13.630040 23.786995 -0.577393 O 17.043641 9.708976 17.357530 -0.207570 O 12.088438 8.930348 16.115191 -0.554302 O 12.404819 7.847354 14.207805 -0.569246 O 20.837832 16.164646 27.213186 -0.215849 O 19.875006 12.046780 2.281877 -0.201850 O 15.148698 16.147836 2.450634 -0.211593 O 11.828175 20.496251 4.749533 -0.608223 O 11.589766 18.313999 5.203561 -0.536813 O 21.313419 8.123517 5.205615 -0.589597 O 23.450209 8.196608 5.206496 -0.570685 O 29.442674 31.300779 21.236575 -0.567872 O 14.053596 29.481927 10.908108 -0.589743 O 15.076581 31.102664 11.976115 -0.526657 O 14.351272 25.544728 14.134727 -0.189108 O 8.837881 23.916986 15.354174 -0.211430 O 7.623043 23.549988 20.233723 -0.604708 O 16.382759 27.754588 10.060805 -0.569438 O 16.234839 25.567188 10.473451 -0.577393 O 12.445972 19.364704 12.495590 -0.207570 O 10.842282 17.449133 7.972043 -0.554302 O 9.828213 15.633152 8.736876 -0.569246 O 19.449351 29.499763 13.695080 -0.215848 O 15.228061 4.793027 17.043497 -0.201849 O 18.472697 4.187437 11.724594 -0.211593 O 22.198381 5.883712 7.427915 -0.608224 O 20.007195 6.352226 7.494243 -0.536813 O 11.603811 7.986439 18.679405 -0.589598 O 12.036453 8.289637 20.751144 -0.570685 O 35.820529 24.441598 20.423023 -0.567864 The following XYZ coordinates are in angstroms. Other properties are in atomic units. The sperically averaged electron density of each atom fit to a function of the form exp(a - br) eigen_1, eigen_2 and eigen_3 are the three eigenvalues of traceless quadrupole moment tensor atom number atomic symbol X Y Z net charge C6 coefficient C8 coefficient C10 coefficient fluctuating dipole atomic polarizability isotropic forcefield polarizability a b squared Pearson coefficient wp_QDO m_QDO q_QDO dipole_x dipole_y dipole_z dipole Qxy Qxz Qyz Q(x^2-y^2) Q(3z^2 - R^2) eigen_1 eigen_2 eigen_3 static polarizability alpha(xx) alpha(xy) alpha(xz) alpha(yy) alpha(yz) alpha(zz) atomic spin moment 1 Zn 29.907729 12.461174 23.911141 1.012488 69.602813 0.13578216E+04 0.39934490E+05 14.111530 12.248041 0.288989 1.988441 0.998710 42.463277 111.951251 0.502665 0.414307 -1.132330 -0.037193 -0.106492 0.059380 0.127475 0.047681 -0.026477 -0.101061 -0.111871 -0.118371 -0.098223 -0.052122 0.150346 17.096393 18.370290 -1.519792 -5.812674 11.864160 5.211376 21.054731 0.000002 2 Zn 30.364231 15.800564 23.065599 1.074901 93.551654 0.16229291E+04 0.50071819E+05 17.735004 14.018718 0.106193 1.919130 0.999369 43.394282 118.438859 0.437184 0.454097 -1.103043 0.014358 0.011961 -0.017151 0.025365 -0.013893 0.015251 0.065057 0.080347 0.002492 -0.091275 0.040725 0.050550 22.466930 20.457361 -0.967645 -5.706070 17.761861 3.132557 29.181569 -0.000001 3 Zn 10.800071 6.746512 14.125335 0.946882 71.258015 0.16143548E+04 0.49624882E+05 14.436143 13.440821 0.417252 1.993743 0.999341 44.918829 121.441657 0.474812 0.419647 -1.127656 0.023323 -0.031887 -0.106209 0.113318 -0.019235 -0.048934 0.069497 0.069531 0.259071 -0.103416 -0.028136 0.131552 15.685027 18.536383 -1.948852 -0.109078 17.327263 -0.857096 11.191436 0.000008 4 Zn 30.141852 25.182232 8.878044 1.012488 69.602860 0.13578224E+04 0.39934518E+05 14.111538 12.248044 0.288988 1.988440 0.998710 42.463285 111.951289 0.502665 0.414307 -1.132330 0.036483 -0.043980 -0.113950 0.127475 -0.013270 -0.070638 0.063840 -0.040888 0.306427 -0.098224 -0.052122 0.150346 17.096406 20.252444 -6.293465 3.516009 20.470175 -1.276234 10.566599 0.000002 5 Zn 29.869470 25.692012 12.304529 1.074901 93.551619 0.16229291E+04 0.50071816E+05 17.734999 14.018718 0.106193 1.919130 0.999369 43.394278 118.438837 0.437184 0.454097 -1.103043 -0.012602 0.016725 0.014312 0.025365 0.015866 0.052926 -0.025243 -0.011287 -0.174947 -0.091275 0.040725 0.050550 22.466918 27.646592 -7.016870 1.328114 22.649364 -0.362934 17.104797 -0.000001 6 Zn 16.559601 8.121999 4.636247 0.946881 71.258064 0.16143565E+04 0.49624950E+05 14.436151 13.440830 0.417253 1.993743 0.999341 44.918842 121.441715 0.474812 0.419647 -1.127656 -0.104191 0.041501 -0.016218 0.113318 -0.066780 0.040486 -0.019073 0.070805 -0.283133 -0.103416 -0.028136 0.131552 15.685034 11.157437 0.874048 -0.268260 18.453403 -1.894585 17.444261 0.000008 7 Zn 17.329611 27.613389 23.636435 1.012490 69.603313 0.13578328E+04 0.39934913E+05 14.111622 12.248114 0.288906 1.988416 0.998710 42.463318 111.951614 0.502662 0.414308 -1.132329 -0.111238 0.056058 -0.027065 0.127472 -0.099184 0.041108 -0.010017 0.130587 -0.138333 -0.098220 -0.052133 0.150353 17.096480 11.543867 4.061403 -0.947334 19.116998 -6.670927 20.628574 0.000002 8 Zn 20.698094 26.760009 23.646120 1.074908 93.554489 0.16229526E+04 0.50073009E+05 17.735917 14.019279 0.105893 1.919053 0.999366 43.394948 118.443410 0.437151 0.454126 -1.103018 0.014188 -0.015160 0.014375 0.025255 0.066099 -0.009390 0.009632 -0.045735 0.120275 -0.091322 0.040799 0.050523 22.468317 17.517676 2.035499 -0.766424 27.249659 -7.108557 22.637615 -0.000001 9 Zn 8.472346 15.349983 7.367456 0.946882 71.258025 0.16143555E+04 0.49624910E+05 14.436144 13.440824 0.417253 1.993743 0.999341 44.918837 121.441687 0.474812 0.419647 -1.127656 -0.027494 -0.100999 0.043408 0.113318 0.058662 -0.015203 -0.070370 -0.149702 0.045070 -0.103416 -0.028136 0.131552 15.685026 16.713364 -1.090496 -1.494936 11.367980 1.172722 18.973733 0.000008 10 Zn 12.950459 23.537597 20.112218 1.012488 69.602789 0.13578213E+04 0.39934478E+05 14.111528 12.248040 0.288988 1.988440 0.998710 42.463269 111.951231 0.502665 0.414307 -1.132330 0.111241 0.018688 -0.059380 0.127475 0.026357 -0.104080 -0.009043 0.137223 -0.118371 -0.098224 -0.052122 0.150346 17.096389 11.543855 -0.351015 4.155701 18.690586 -6.608758 21.054727 0.000002 11 Zn 9.581925 23.651191 20.957760 1.074901 93.551658 0.16229293E+04 0.50071825E+05 17.735006 14.018721 0.106192 1.919130 0.999369 43.394285 118.438877 0.437184 0.454097 -1.103042 -0.014212 -0.012134 0.017151 0.025365 0.000263 0.066698 0.004053 -0.085014 0.002492 -0.091275 0.040725 0.050550 22.466932 17.516717 -0.464162 2.124678 20.702504 -6.152870 29.181576 -0.000001 12 Zn 11.651444 7.464507 0.549118 0.946881 71.258019 0.16143553E+04 0.49624906E+05 14.436150 13.440829 0.417250 1.993743 0.999341 44.918809 121.441632 0.474812 0.419647 -1.127655 0.027494 -0.028370 0.106209 0.113319 -0.006574 0.060243 -0.059960 -0.078369 0.259072 -0.103416 -0.028136 0.131553 15.685032 16.713370 -1.636728 -0.863215 19.150284 0.037131 11.191444 0.000008 13 Zn 25.385501 21.171022 5.796409 1.012488 69.602850 0.13578225E+04 0.39934522E+05 14.111536 12.248045 0.288989 1.988440 0.998710 42.463286 111.951289 0.502665 0.414307 -1.132330 0.037192 -0.043382 0.113950 0.127475 -0.019316 0.051004 -0.080399 0.029729 0.306427 -0.098224 -0.052122 0.150346 17.096401 18.370297 -5.971210 -0.664572 22.352311 3.680950 10.566596 0.000002 14 Zn 24.928999 21.525526 2.369924 1.074901 93.551652 0.16229291E+04 0.50071819E+05 17.735007 14.018721 0.106192 1.919130 0.999369 43.394283 118.438872 0.437183 0.454097 -1.103042 -0.014358 0.015244 -0.014312 0.025365 0.013085 -0.015949 0.056426 0.021200 -0.174947 -0.091275 0.040725 0.050550 22.466934 20.457370 -5.785994 -0.133596 29.838631 1.370316 17.104801 -0.000001 15 Zn 9.323719 2.019707 10.038206 0.946882 71.258061 0.16143565E+04 0.49624947E+05 14.436149 13.440828 0.417253 1.993743 0.999341 44.918849 121.441725 0.474812 0.419647 -1.127656 -0.023323 0.109700 0.016217 0.113318 -0.051199 -0.011967 0.043125 -0.111204 -0.283133 -0.103416 -0.028136 0.131552 15.685031 18.536389 -0.389329 -1.912683 11.074446 0.055316 17.444258 0.000008 16 Zn 25.151378 8.832650 20.386924 1.012491 69.603217 0.13578304E+04 0.39934824E+05 14.111608 12.248102 0.288910 1.988417 0.998710 42.463295 111.951519 0.502663 0.414308 -1.132329 -0.036482 0.119103 0.027065 0.127472 -0.071814 -0.002935 0.042208 -0.189141 -0.138333 -0.098221 -0.052132 0.150353 17.096464 20.252433 2.570375 -6.735118 10.408405 0.192023 20.628556 0.000002 17 Zn 25.424061 5.368465 20.377239 1.074909 93.554490 0.16229523E+04 0.50072996E+05 17.735914 14.019275 0.105893 1.919053 0.999366 43.394945 118.443393 0.437151 0.454126 -1.103018 0.012548 -0.016543 -0.014375 0.025255 0.054727 0.007909 -0.010881 0.087109 0.120275 -0.091322 0.040799 0.050523 22.468312 27.649647 0.300765 -7.135937 17.117677 0.444190 22.637612 -0.000001 18 Zn 3.564189 11.210749 7.306997 0.946882 71.257992 0.16143546E+04 0.49624877E+05 14.436140 13.440821 0.417253 1.993743 0.999341 44.918828 121.441650 0.474812 0.419647 -1.127656 0.104190 0.010055 -0.043408 0.113318 0.030419 -0.071926 -0.003110 0.180206 0.045070 -0.103416 -0.028136 0.131552 15.685020 11.157429 -0.139247 0.903618 16.923907 -1.671401 18.973724 0.000008 19 Zn 10.339851 21.481130 5.437765 1.012488 69.602775 0.13578208E+04 0.39934459E+05 14.111526 12.248037 0.288989 1.988441 0.998710 42.463263 111.951205 0.502665 0.414307 -1.132330 0.037193 0.106492 -0.059381 0.127475 0.047681 -0.026478 -0.101061 -0.111871 -0.118372 -0.098224 -0.052122 0.150346 17.096387 18.370286 -1.519792 -5.812671 11.864154 5.211372 21.054722 0.000002 20 Zn 9.883349 18.141740 6.283307 1.074901 93.551647 0.16229291E+04 0.50071818E+05 17.735003 14.018719 0.106192 1.919130 0.999369 43.394281 118.438858 0.437184 0.454097 -1.103043 -0.014358 -0.011961 0.017151 0.025365 -0.013893 0.015251 0.065057 0.080347 0.002492 -0.091275 0.040725 0.050550 22.466928 20.457361 -0.967645 -5.706070 17.761859 3.132558 29.181565 -0.000001 21 Zn 29.447509 27.195792 15.223571 0.946883 71.257944 0.16143529E+04 0.49624808E+05 14.436133 13.440813 0.417254 1.993744 0.999341 44.918810 121.441578 0.474812 0.419647 -1.127656 -0.023324 0.031888 0.106209 0.113319 -0.019236 -0.048935 0.069497 0.069531 0.259071 -0.103416 -0.028137 0.131552 15.685014 18.536366 -1.948850 -0.109076 17.327246 -0.857097 11.191429 0.000008 22 Zn 10.105728 8.760072 20.470862 1.012487 69.602910 0.13578236E+04 0.39934564E+05 14.111547 12.248052 0.288986 1.988440 0.998710 42.463292 111.951333 0.502665 0.414307 -1.132330 -0.036483 0.043980 0.113950 0.127475 -0.013270 -0.070639 0.063840 -0.040889 0.306427 -0.098224 -0.052122 0.150346 17.096419 20.252459 -6.293470 3.516012 20.470191 -1.276235 10.566606 0.000002 23 Zn 10.378110 8.250292 17.044377 1.074901 93.551615 0.16229290E+04 0.50071814E+05 17.734999 14.018718 0.106193 1.919130 0.999369 43.394277 118.438836 0.437184 0.454097 -1.103043 0.012603 -0.016725 -0.014311 0.025365 0.015866 0.052925 -0.025243 -0.011287 -0.174947 -0.091275 0.040725 0.050550 22.466919 27.646593 -7.016870 1.328111 22.649365 -0.362932 17.104798 -0.000001 24 Zn 23.687979 25.820305 24.712659 0.946876 71.258692 0.16143795E+04 0.49625840E+05 14.436244 13.440935 0.417250 1.993740 0.999341 44.919055 121.442573 0.474809 0.419647 -1.127655 0.104196 -0.041503 0.016220 0.113325 -0.066785 0.040487 -0.019068 0.070782 -0.283135 -0.103416 -0.028134 0.131550 15.685124 11.157573 0.874145 -0.268263 18.453407 -1.894653 17.444392 0.000008 25 Zn 22.917969 6.328915 5.712471 1.012488 69.602857 0.13578227E+04 0.39934531E+05 14.111538 12.248047 0.288988 1.988440 0.998710 42.463285 111.951294 0.502665 0.414307 -1.132330 0.111241 -0.056060 0.027066 0.127475 -0.099184 0.041108 -0.010013 0.130578 -0.138307 -0.098223 -0.052122 0.150346 17.096402 11.543857 4.061471 -0.947384 19.116969 -6.670981 20.628379 0.000002 26 Zn 19.549435 7.181998 5.702786 1.074901 93.551641 0.16229296E+04 0.50071838E+05 17.735007 14.018724 0.106192 1.919129 0.999369 43.394284 118.438876 0.437183 0.454097 -1.103042 -0.014212 0.015219 -0.014483 0.025365 0.066037 -0.009370 0.009779 -0.045772 0.120219 -0.091275 0.040725 0.050550 22.466930 17.516712 2.035397 -0.766081 27.246580 -7.107783 22.637497 -0.000001 27 Zn 31.775234 18.592321 21.981450 0.946881 71.258016 0.16143553E+04 0.49624905E+05 14.436148 13.440828 0.417250 1.993743 0.999341 44.918814 121.441643 0.474812 0.419647 -1.127655 0.027494 0.101000 -0.043409 0.113319 0.058662 -0.015204 -0.070370 -0.149703 0.045070 -0.103416 -0.028136 0.131553 15.685030 16.713367 -1.090496 -1.494937 11.367984 1.172723 18.973738 0.000008 28 Zn 27.297121 10.404707 9.236688 1.012488 69.602772 0.13578209E+04 0.39934462E+05 14.111525 12.248037 0.288989 1.988441 0.998710 42.463268 111.951217 0.502665 0.414307 -1.132330 -0.111241 -0.018688 0.059381 0.127475 0.026357 -0.104080 -0.009043 0.137222 -0.118372 -0.098224 -0.052122 0.150346 17.096385 11.543850 -0.351015 4.155698 18.690584 -6.608756 21.054720 0.000002 29 Zn 30.665655 10.291113 8.391146 1.074901 93.551646 0.16229291E+04 0.50071818E+05 17.735000 14.018717 0.106193 1.919130 0.999369 43.394279 118.438841 0.437184 0.454097 -1.103043 0.014212 0.012134 -0.017151 0.025365 0.000263 0.066698 0.004053 -0.085014 0.002492 -0.091275 0.040725 0.050550 22.466923 17.516708 -0.464162 2.124677 20.702497 -6.152866 29.181563 -0.000001 30 Zn 28.596136 26.477797 28.799788 0.946883 71.257918 0.16143524E+04 0.49624790E+05 14.436128 13.440810 0.417255 1.993744 0.999341 44.918806 121.441557 0.474812 0.419647 -1.127656 -0.027494 0.028371 -0.106209 0.113319 -0.006574 0.060242 -0.059961 -0.078369 0.259070 -0.103415 -0.028137 0.131552 15.685007 16.713342 -1.636723 -0.863215 19.150250 0.037134 11.191428 0.000008 31 Zn 14.862079 12.771282 23.552497 1.012487 69.602902 0.13578237E+04 0.39934569E+05 14.111545 12.248053 0.288986 1.988440 0.998710 42.463292 111.951332 0.502665 0.414307 -1.132330 -0.037192 0.043382 -0.113950 0.127475 -0.019316 0.051004 -0.080399 0.029730 0.306427 -0.098224 -0.052122 0.150346 17.096415 18.370311 -5.971215 -0.664572 22.352329 3.680953 10.566604 0.000002 32 Zn 15.318581 12.416778 26.978982 1.074901 93.551646 0.16229290E+04 0.50071812E+05 17.735003 14.018718 0.106193 1.919130 0.999369 43.394278 118.438840 0.437184 0.454097 -1.103043 0.014358 -0.015244 0.014311 0.025364 0.013085 -0.015949 0.056426 0.021200 -0.174947 -0.091275 0.040725 0.050550 22.466929 20.457365 -5.785991 -0.133595 29.838624 1.370312 17.104798 -0.000001 33 Zn 30.923861 31.922597 19.310700 0.946876 71.258691 0.16143795E+04 0.49625838E+05 14.436241 13.440932 0.417251 1.993740 0.999341 44.919067 121.442592 0.474810 0.419647 -1.127655 0.023324 -0.109706 -0.016219 0.113324 -0.051207 -0.011962 0.043124 -0.111186 -0.283135 -0.103416 -0.028134 0.131550 15.685121 18.536428 -0.389216 -1.912749 11.074545 0.055325 17.444389 0.000008 34 Zn 15.096202 25.109654 8.961982 1.012488 69.602748 0.13578200E+04 0.39934430E+05 14.111522 12.248033 0.288993 1.988442 0.998710 42.463261 111.951189 0.502665 0.414306 -1.132330 0.036483 -0.119106 -0.027066 0.127475 -0.071815 -0.002931 0.042208 -0.189132 -0.138308 -0.098224 -0.052122 0.150346 17.096383 20.252423 2.570441 -6.735177 10.408370 0.191983 20.628357 0.000002 35 Zn 14.823820 28.573839 8.971667 1.074901 93.551650 0.16229294E+04 0.50071831E+05 17.735007 14.018722 0.106192 1.919129 0.999369 43.394284 118.438877 0.437183 0.454097 -1.103042 -0.012602 0.016577 0.014483 0.025365 0.054662 0.008058 -0.010886 0.087102 0.120219 -0.091275 0.040725 0.050550 22.466929 27.646602 0.301021 -7.135117 17.116688 0.444397 22.637498 -0.000001 36 Zn 36.683391 22.731555 22.041909 0.946882 71.257993 0.16143546E+04 0.49624878E+05 14.436141 13.440822 0.417252 1.993743 0.999341 44.918821 121.441638 0.474812 0.419647 -1.127656 -0.104191 -0.010055 0.043408 0.113319 0.030420 -0.071926 -0.003110 0.180206 0.045070 -0.103416 -0.028136 0.131552 15.685022 11.157430 -0.139248 0.903620 16.923909 -1.671402 18.973727 0.000008 37 H 33.714695 12.084928 25.885735 0.116771 1.133350 0.83623139E+01 0.81688425E+02 1.694202 1.615336 -0.906080 2.447600 0.999067 3.269921 8.665580 0.535848 1.170120 -0.736696 -0.011443 -0.036022 -0.006417 0.038337 0.000600 0.007157 -0.002121 -0.022058 -0.037458 -0.016895 -0.000528 0.017423 1.710055 1.556204 0.313168 0.132517 2.041653 0.239520 1.532309 0.000000 38 H 35.731705 12.255708 26.995124 0.109953 1.036175 0.72153365E+01 0.67065946E+02 1.517738 1.439214 -0.729129 2.532191 0.999836 3.012854 7.468721 0.612118 1.076528 -0.761922 0.016538 -0.032194 0.013529 0.038639 0.000916 0.013717 -0.002478 -0.008983 -0.043934 -0.022371 0.010271 0.012100 1.509440 1.416624 -0.289490 0.137402 1.738898 -0.170166 1.372796 0.000001 39 H 6.611319 14.325609 27.317962 0.128967 1.084885 0.78076811E+01 0.75755343E+02 1.717609 1.614930 -0.846254 2.487992 0.999344 3.291118 8.992044 0.503963 1.252612 -0.716776 0.032110 -0.000726 0.015011 0.035453 -0.001830 0.012499 -0.003327 0.003071 -0.034324 -0.017914 0.003436 0.014478 1.767225 2.194767 0.158965 0.426076 1.443011 0.114572 1.663897 0.000000 40 H 33.577094 16.082517 25.536483 0.134631 0.916887 0.70726768E+01 0.68538324E+02 1.658539 1.635039 -1.305866 2.267653 0.994630 3.743160 11.035140 0.445916 1.417436 -0.678842 -0.019046 0.027524 -0.014583 0.036510 -0.007212 0.006324 -0.006668 -0.014046 -0.028996 -0.013529 -0.004126 0.017654 1.651731 1.683451 -0.057251 0.126122 1.739481 -0.003864 1.532260 0.000000 41 H 35.164969 17.870807 25.413218 0.093479 1.123073 0.85600852E+01 0.85751877E+02 1.812619 1.726931 -0.962540 2.411462 0.996401 3.698273 10.571643 0.467991 1.306482 -0.702953 -0.001335 0.008654 -0.037430 0.038441 -0.005342 0.002720 -0.003169 -0.011267 0.012684 -0.010016 0.001023 0.008993 1.888073 1.628240 0.199603 -0.047496 1.507323 0.105558 2.528658 -0.000001 42 H 34.337805 17.825421 26.748593 0.090913 1.096624 0.83248230E+01 0.82376025E+02 1.749445 1.676013 -0.861715 2.452359 0.998543 3.580429 9.996552 0.489181 1.265351 -0.712383 -0.032948 0.005970 0.013517 0.036110 -0.005939 -0.003804 -0.004456 0.004716 -0.022997 -0.011484 0.001234 0.010250 1.823616 2.226598 0.137428 -0.358085 1.477048 0.144697 1.767203 -0.000002 43 H 30.301018 13.987097 0.545890 0.166781 0.856516 0.64021093E+01 0.60828078E+02 1.620409 1.579485 -1.382241 2.237606 0.994846 3.719148 11.041721 0.441150 1.461299 -0.670214 0.010534 -0.004387 0.007482 0.013645 -0.001092 0.001801 0.000608 0.002863 -0.011663 -0.004455 0.000410 0.004046 1.631089 1.571376 -0.071616 0.255023 1.467124 -0.219288 1.854766 0.000001 44 H 29.155899 14.980489 0.137940 0.168691 0.868378 0.62222263E+01 0.58358634E+02 1.611774 1.538556 -1.121486 2.370146 0.996471 3.473088 10.051773 0.457757 1.426632 -0.678184 -0.008250 0.014248 0.002816 0.016703 -0.000842 -0.000802 0.002053 0.004455 0.000545 -0.003493 0.000563 0.002930 1.676249 1.950765 -0.363061 -0.307943 1.624043 0.241781 1.453938 0.000000 45 H 34.450417 17.940693 28.676816 0.159877 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-0.003898 0.029624 9.143548 10.196184 1.519323 -2.414683 7.723029 -0.081931 9.511430 0.000006 1094 C 33.026022 14.956957 4.611007 -0.520706 29.812990 0.47852935E+03 0.11550191E+05 8.205632 7.092917 0.086183 1.984171 0.997525 32.829800 96.360933 0.643655 0.394251 -1.076346 0.016657 -0.023667 -0.069097 0.074913 -0.007261 -0.002683 0.015724 0.001384 0.029176 -0.017252 -0.003837 0.021089 9.272303 7.888269 1.359141 -1.381308 7.708681 0.963290 12.219959 0.000006 1095 C 2.109292 11.534576 0.954720 -0.512720 28.041262 0.46572455E+03 0.11173744E+05 7.873198 7.010671 0.067020 1.980148 0.997716 32.694741 95.917012 0.645082 0.395750 -1.074498 0.039375 0.061571 0.030270 0.079105 0.019086 0.011197 0.011858 -0.000664 -0.035745 -0.018099 -0.013113 0.031212 8.388430 8.364643 2.035511 -0.819880 8.288796 0.515079 8.511852 0.000007 1096 C 31.624208 12.575939 3.613437 -0.045057 27.436891 0.38425862E+03 0.88593262E+04 8.241047 6.693732 -0.352313 1.897118 0.997326 28.456650 84.074038 0.607554 0.437265 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14.226351 4.275105 24.521011 0.108162 34.401538 0.42952465E+03 0.10064135E+05 9.369946 7.048532 -0.013556 1.999056 0.999618 27.059465 77.572867 0.602667 0.433751 -1.053772 0.047998 -0.007544 0.077099 0.091132 -0.003951 0.027333 -0.004451 0.036587 0.059519 -0.028718 -0.013816 0.042534 11.343194 9.183974 -2.887677 3.940804 10.760716 2.798966 14.084892 0.000050 1192 C 15.138260 4.162804 25.712870 -0.511089 29.288795 0.48583238E+03 0.11794673E+05 8.168874 7.193231 -0.069121 1.934201 0.997434 33.115947 98.126337 0.631704 0.399386 -1.070711 -0.050812 0.009006 -0.060017 0.079152 -0.009735 0.016927 0.012614 0.036958 0.042885 -0.034006 0.004048 0.029958 9.120141 7.903066 -0.479407 3.004407 8.632622 -0.183527 10.824737 0.000006 1193 C 22.304911 31.292061 22.172805 0.266256 29.792644 0.35655879E+03 0.79776027E+04 8.483773 6.435491 0.060617 2.040772 0.999719 25.022346 70.184475 0.628494 0.435576 -1.052262 -0.031731 0.035112 0.014313 0.049443 -0.023957 -0.032727 0.010871 0.023746 -0.048174 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2.759384 0.270607 30.967148 0.34911554E+03 0.77635091E+04 8.721104 6.366642 0.005822 2.024011 0.999611 24.842385 69.278429 0.632607 0.435395 -1.053249 -0.046528 -0.009573 -0.013571 0.049404 -0.006895 0.009540 0.001768 0.067720 -0.050322 -0.026989 -0.017374 0.044363 10.420409 15.889173 -1.541308 2.072884 5.546372 1.739438 9.825681 -0.000002 1246 C 31.324684 7.597863 2.007759 -0.210450 32.514346 0.43352173E+03 0.10190669E+05 8.792319 6.937365 0.087679 1.991220 0.999731 30.059710 86.571790 0.625900 0.416303 -1.063670 0.026776 -0.007463 0.004283 0.028124 0.012223 0.011569 0.014246 -0.015805 0.096003 -0.030772 -0.009241 0.040013 9.567194 13.359721 -1.721853 -0.105908 6.022229 2.039717 9.319631 0.000003 1247 C 2.509985 7.679432 2.475287 -0.063596 29.173210 0.37835548E+03 0.85680363E+04 8.123004 6.439255 0.212050 2.047076 0.999761 27.886466 77.982928 0.658146 0.410963 -1.070635 -0.020884 0.009268 0.013660 0.026620 -0.002767 -0.010585 0.018104 0.053724 0.016042 -0.037276 0.006459 0.030817 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8.302377 6.981458 0.029165 1.980745 0.999662 29.629799 86.167176 0.609508 0.427731 -1.053266 0.022276 0.017606 -0.000748 0.028403 0.006400 0.002477 -0.005006 0.059181 -0.028617 -0.027077 -0.008051 0.035128 8.602081 8.742814 0.649520 1.185754 9.645835 3.157362 7.417594 0.000006 1281 C 28.756681 15.626670 12.017790 -0.063064 27.845020 0.38407840E+03 0.87323412E+04 7.878824 6.500404 0.221882 2.051052 0.999741 27.914423 78.275297 0.652985 0.412565 -1.069349 0.020024 -0.011785 -0.010123 0.025344 -0.009933 -0.004006 0.020244 0.018883 -0.061456 -0.032772 0.005298 0.027473 8.260424 9.340756 0.919572 1.093013 8.760498 2.744950 6.680019 -0.000008 1282 C 30.075508 15.984932 12.218830 -0.200821 30.812022 0.45152605E+03 0.10728360E+05 8.511952 7.102239 0.059718 1.986497 0.999569 30.118065 87.364374 0.615342 0.418928 -1.061411 -0.030443 0.003793 -0.002949 0.030820 0.016398 0.006965 0.021716 -0.046966 0.010188 -0.030340 -0.010495 0.040835 8.892772 10.996251 1.273894 1.210606 9.054001 2.417659 6.628063 0.000005 1283 C 31.089955 15.157442 11.792097 0.265527 29.530225 0.35629051E+03 0.79911214E+04 8.504045 6.475723 -0.024063 2.014498 0.999731 25.234948 71.479774 0.618727 0.441371 -1.046032 0.048346 0.015852 0.000033 0.050879 0.003704 0.007288 0.011131 0.062159 -0.080500 -0.034494 -0.011113 0.045607 10.008991 13.643569 3.121054 2.416992 9.550620 2.965489 6.832785 -0.000004 1284 C 30.797930 13.966376 11.152291 -0.272289 36.696939 0.54485144E+03 0.13632164E+05 9.731692 7.909923 -0.213585 1.880807 0.998712 32.651115 98.691189 0.568489 0.430623 -1.049196 -0.034434 -0.014471 -0.025666 0.045320 -0.030385 -0.015542 -0.008859 0.026931 -0.011250 -0.038772 0.001846 0.036926 11.482949 12.855974 4.764784 3.581367 12.501755 4.089390 9.091119 0.000008 1285 C 29.157698 12.319945 10.237485 0.620676 21.019688 0.25007037E+03 0.52011626E+04 7.145076 5.703010 -0.104992 2.027382 0.999487 22.435435 63.863726 0.603797 0.487728 -1.007004 -0.023218 -0.054823 -0.033298 0.068215 -0.010598 -0.004252 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14.270592 14.483098 -0.523017 29.497200 0.48487217E+03 0.11741040E+05 8.144510 7.142775 0.022179 1.966908 0.996754 32.806866 96.426359 0.641045 0.394583 -1.076196 0.045286 0.039682 -0.049888 0.078194 0.019229 -0.005292 -0.019331 0.003951 0.004888 -0.025726 -0.003898 0.029624 9.143550 8.298908 1.844160 -0.488249 9.620312 -2.366227 9.511430 0.000007 1292 C 4.886095 16.602623 10.063446 -0.520706 29.813003 0.47852958E+03 0.11550198E+05 8.205635 7.092919 0.086183 1.984171 0.997525 32.829803 96.360950 0.643655 0.394251 -1.076345 0.020516 -0.020412 0.069097 0.074913 -0.006617 0.015045 -0.005298 -0.006136 0.029175 -0.017252 -0.003838 0.021089 9.272307 8.165950 1.311599 0.716369 7.431003 -1.524059 12.219967 0.000006 1293 C 8.398689 16.838661 13.719733 -0.512720 28.041252 0.46572439E+03 0.11173739E+05 7.873196 7.010670 0.067020 1.980148 0.997716 32.694740 95.917009 0.645082 0.395750 -1.074498 -0.067333 -0.028420 -0.030270 0.079105 0.017889 0.013577 0.009035 0.013325 -0.035745 -0.018099 -0.013113 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0.42148040E+03 0.98493320E+04 8.680297 6.889386 0.054203 1.984030 0.999721 29.595170 85.300435 0.620672 0.422294 -1.058667 0.023956 0.007416 0.017357 0.030499 0.000513 0.022302 0.018148 0.011077 0.098090 -0.030185 -0.016150 0.046336 9.406056 12.363638 1.719766 -1.690620 5.226767 -0.855757 10.627765 0.000004 1381 C 21.002118 11.511485 2.814854 0.266275 29.546331 0.34353024E+03 0.76159524E+04 8.435128 6.307706 0.165182 2.077827 0.999554 24.756957 69.153434 0.636118 0.434319 -1.052878 -0.043794 0.010061 -0.018145 0.048460 -0.006292 0.004270 -0.009631 0.053882 -0.071483 -0.030017 -0.010021 0.040038 10.532763 15.372250 -1.729783 2.191775 9.135384 -3.399298 7.090655 -0.000004 1382 C 16.568124 9.165081 18.547041 -0.043822 27.834262 0.38050026E+03 0.87530157E+04 8.295992 6.629493 -0.432969 1.862487 0.997580 28.743610 84.885898 0.614705 0.433149 -1.041658 0.070856 0.039900 -0.042003 0.091525 -0.012318 -0.006291 -0.012417 0.003888 0.076261 -0.028592 -0.000562 0.029154 9.942026 8.965958 -0.176214 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0.000007 1391 C 20.685847 4.549513 21.850554 0.266256 29.792639 0.35655864E+03 0.79775986E+04 8.483772 6.435489 0.060617 2.040772 0.999719 25.022347 70.184477 0.628494 0.435576 -1.052262 -0.029254 0.037202 -0.014313 0.049443 -0.018642 0.005192 -0.034092 -0.038333 -0.048174 -0.035773 -0.015844 0.051617 9.719214 10.396427 -2.418827 -1.867143 9.968762 -3.236260 8.792451 -0.000002 1392 C 20.207216 3.802260 22.945268 -0.212596 32.457087 0.47579894E+03 0.11478091E+05 8.895097 7.345049 0.011913 1.969256 0.999358 30.662159 90.236447 0.597121 0.425204 -1.055258 0.004037 -0.022389 0.008503 0.024288 -0.005044 -0.009511 0.018366 0.040887 -0.058743 -0.034324 0.000576 0.033748 9.707683 9.351011 -0.787213 -2.148112 9.527749 -3.465188 10.244290 0.000004 1393 C 25.983160 32.416174 23.382273 -0.051634 28.348158 0.38977803E+03 0.89575002E+04 8.174226 6.677016 0.114024 2.023599 0.999666 28.310848 81.671660 0.621381 0.428922 -1.051571 0.013495 0.006083 -0.028049 0.031716 0.007707 -0.008511 -0.019383 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38.849467 0.64760816E+03 0.16318230E+05 9.110524 7.955554 0.021928 2.059070 0.993828 28.207898 76.042270 0.663263 0.366488 -1.132533 0.025292 -0.002659 0.018082 0.031205 -0.028324 -0.060987 -0.033098 -0.011540 -0.024940 -0.085820 0.029550 0.056270 9.450416 9.612487 -1.087981 1.746660 8.208976 -2.742013 10.529784 -0.000003 1681 O 16.234839 25.567188 10.473451 -0.577393 30.723593 0.48572577E+03 0.11374281E+05 7.654544 6.724467 0.577253 2.237274 0.997950 27.310448 70.655671 0.749234 0.349105 -1.147953 0.015936 0.039357 0.022442 0.048027 0.026899 -0.019384 0.039222 -0.005256 -0.033839 -0.058612 0.016522 0.042090 8.329142 8.745675 3.483387 1.848184 8.885379 2.126676 7.356372 -0.000004 1682 O 12.445972 19.364704 12.495590 -0.207570 25.955896 0.31379092E+03 0.65991209E+04 7.043874 5.436613 0.374704 2.239588 0.999265 22.683708 55.929445 0.824542 0.353222 -1.142617 -0.123886 0.029418 -0.145353 0.193237 -0.046343 0.016782 -0.004583 -0.285043 -0.239735 -0.116766 -0.073248 0.190013 8.393807 4.509045 -0.296818 0.390270 15.498562 2.116688 5.173815 -0.000005 1683 O 10.842282 17.449133 7.972043 -0.554302 34.836993 0.49552369E+03 0.11678946E+05 8.461679 6.872867 0.381666 2.182474 0.997065 27.172577 70.865777 0.726983 0.357473 -1.139500 0.005716 -0.015977 0.011350 0.020415 -0.046466 -0.062513 -0.012784 -0.037421 -0.025243 -0.090478 0.023017 0.067461 9.634998 5.990652 0.064253 0.084343 7.320717 -3.640187 15.593623 -0.000002 1684 O 9.828213 15.633152 8.736876 -0.569246 29.899240 0.46769082E+03 0.10850517E+05 7.488824 6.581070 0.485695 2.205026 0.998685 27.178238 70.022438 0.760237 0.347269 -1.149291 0.042315 0.018711 -0.019924 0.050374 0.008490 0.001510 0.034366 0.032291 -0.172754 -0.071631 0.023374 0.048257 7.796496 7.818260 2.302031 2.236433 7.183784 1.277454 8.387443 -0.000003 1685 O 19.449351 29.499763 13.695080 -0.215848 29.790608 0.39779279E+03 0.88616595E+04 7.734012 6.196963 0.414532 2.258736 0.998211 23.060879 58.195023 0.759479 0.362020 -1.137552 -0.098441 0.023877 -0.149253 0.180381 0.028507 0.033508 -0.060856 -0.270359 -0.213926 -0.133160 -0.053534 0.186694 8.970618 6.915394 3.926195 1.383661 13.901652 1.888679 6.094807 -0.000006 1686 O 15.228061 4.793027 17.043497 -0.201849 29.527214 0.37011075E+03 0.80945398E+04 7.695763 5.955138 0.498394 2.293435 0.999004 22.651592 56.567422 0.779404 0.359321 -1.140118 -0.128765 0.120929 -0.041489 0.181454 -0.027048 0.054272 0.034794 0.023164 0.512825 -0.126942 -0.058398 0.185340 9.802030 5.686664 -1.126504 -0.797561 6.941301 4.964325 16.778125 -0.000006 1687 O 18.472697 4.187437 11.724594 -0.211593 28.478611 0.34100309E+03 0.73090792E+04 7.539536 5.678960 0.407258 2.252417 0.999080 22.779339 56.374018 0.805733 0.354659 -1.143486 0.127957 -0.076469 0.105705 0.182740 0.038623 -0.100160 -0.104429 0.068260 0.265913 -0.129599 -0.065161 0.194760 10.078605 10.888256 2.327250 -6.829340 5.338410 -2.997052 14.009151 -0.000006 1688 O 22.198381 5.883712 7.427915 -0.608224 33.669481 0.49279067E+03 0.11551062E+05 8.109485 6.690330 0.532533 2.206794 0.998916 27.669424 71.007468 0.767154 0.340615 -1.158080 -0.042883 0.009017 0.034286 0.055640 0.018353 -0.043570 0.033458 0.016443 -0.033391 -0.066441 0.018924 0.047517 9.660522 8.457676 1.919345 -3.660333 7.158900 -4.308582 13.364991 -0.000003 1689 O 20.007195 6.352226 7.494243 -0.536813 36.448191 0.51100265E+03 0.12134159E+05 8.790739 7.000103 0.205758 2.130658 0.995356 27.058498 70.783391 0.717303 0.359598 -1.138055 0.003965 -0.000588 0.026074 0.026380 -0.008408 0.048013 0.037751 -0.031849 -0.153615 -0.088310 0.031031 0.057279 10.998508 8.459864 -2.455697 3.920246 9.930940 -6.271583 14.604719 -0.000002 1690 O 11.603811 7.986439 18.679405 -0.589598 45.343322 0.62484307E+03 0.15670424E+05 10.245406 7.867685 -0.142067 1.995254 0.994970 28.761416 78.426183 0.657419 0.371496 -1.123939 0.058223 -0.012218 -0.001658 0.059514 0.061497 0.015287 -0.028863 -0.077951 -0.065666 -0.076137 -0.010711 0.086848 13.126581 18.100399 -4.436769 7.487839 8.357459 -2.084815 12.921885 -0.000002 1691 O 12.036453 8.289637 20.751144 -0.570685 29.260954 0.45403888E+03 0.10427341E+05 7.328239 6.431481 0.695696 2.274051 0.998615 26.950820 68.466848 0.780666 0.341633 -1.157180 0.039231 -0.012608 -0.029156 0.050479 0.000347 -0.042591 0.014208 -0.010248 0.038668 -0.045472 -0.002084 0.047556 7.974714 8.412433 -2.056971 0.224670 6.515928 1.560654 8.995780 -0.000005 1692 O 35.820529 24.441598 20.423023 -0.567864 27.081488 0.40834657E+03 0.91586496E+04 6.942281 6.089006 0.763225 2.274288 0.999382 27.397596 69.426583 0.802063 0.340483 -1.154860 0.033349 0.048854 -0.013722 0.060722 0.023427 -0.038382 0.057241 -0.003270 -0.065623 -0.085586 0.029896 0.055690 7.162793 8.126903 -1.127396 -2.017239 5.193377 -0.600564 8.168099 -0.000009 ****************************************************** Auxiliary information for the entire system The total spin magnetic moment of the unit cell is -0.000000 The total net atomic charge of the unit cell is 0.000001 Accuracy of reproducing the electrostatic potential in the unit cell: The inner radius (bohr) = 5.0000 The outer radius (bohr) = 12.0000 Valid grid points have density less than (e/(bohr^3)) = 0.0001 The number of valid grid points were= 1527816 The rms potential error without charges in kcal/mol is= 6.44966 The rms potential error with partial charges in kcal/mol is= 1.57455 The RRMSE value at monopole order= 0.24413 The rms potential error with partial charges and cloud penetration in kcal/mol is= 1.57237 The RRMSE value at monopole order with cloud penetration is= 0.24379 The rms potential error with partial charges and atomic dipoles in kcal/mol is= 0.46373 The RRMSE value at dipole order= 0.07190 The rms potential error with partial charges, atomic dipoles and cloud penetration in kcal/mol is= 0.45720 The RRMSE value at dipole order with cloud penetration= 0.07089 ****************************************************** The electron densities and ab initio electrostatic potential were computed in VASP using the PBE functional and projector augmented wave method. See the main text of the journal article for a description of computational details. The atomic charges, dipoles, and quadrupoles were computed with the DDEC6 method as described in (a) T. A. Manz and N. Gabaldon Limas, RSC Adv. 6 (2016) 47771-47801 DOI: 10.1039/c6ra04656h (b) N. Gabaldon Limas and T. A. Manz, RSC Adv. 8 (2018) 2678-2707 DOI: 10.1039/c7ra11829e. For each atom in the material, the electron cloud parameters were fit to the spherically averaged atom-in-material electron density using radial positions for which this density was between 10^-4 and 10^-2 electrons per cubic bohr. The polarizabilities, dispersion coefficients, and quantum Drude oscillator (QDO) parameters were fit using the MCLF method. The magnetic structure of the system was optimized in VASP from the default ferromagnetic initial guess using spin polarization. The atomic spin moments (ASMs) were computed on this optimized magnetic structure using the DDEC6 partition as inputs to the method of T. A. Manz and D. S. Sholl, J. Chem. Theory Comput. 7 (2011) 4146-4164 DOI: 10.1021/ct200539n. The RMSE and RRMSE were computed using a uniform grid with Ewald summation.