S2 Mn 24.898841125 35.417450907 60.831945630 Mn 27.351538224 35.153580082 62.081090861 Mn 27.360206368 33.239962550 60.017662020 Mn 27.576135821 33.096867798 57.261350934 Ca 27.749373695 36.611016291 58.979285962 O 26.445572627 36.422707477 61.079314153 O 28.372678916 34.655541265 60.643489330 O 26.025785561 33.956356280 61.382612689 O 28.532786375 32.544838613 58.816021765 O 26.755013076 34.188808825 58.554191887 O 26.495553573 33.659408883 55.853464075 O 28.422826371 31.695585473 56.058281374 O 27.435877467 36.934329931 56.566612470 O 28.402837172 38.894495588 58.743389047 H 30.386279017 26.554955964 57.103004977 C 30.312281971 27.064948084 58.050497028 H 30.925319009 26.579769967 58.850732994 C 28.843722580 27.350788569 58.385505505 C 28.221008300 28.324721228 57.371309002 O 28.917152094 29.369375069 57.063676153 O 27.074778183 28.078188904 56.891225868 H 33.765458980 42.205888991 52.647136016 C 33.048045026 41.804450013 53.345645973 H 33.479305994 40.971405989 53.939090007 C 31.724660158 41.447047744 52.654222006 C 30.626501550 41.243514897 53.674016655 C 30.242505909 42.307113318 54.520758168 C 30.026795495 39.986213049 53.879134103 C 29.310668094 42.123412672 55.549184190 C 29.083686584 39.786562101 54.899440777 C 28.723092492 40.852769428 55.748360255 O 27.821685843 40.633334646 56.757365577 H 33.875560999 32.213249998 54.592799994 C 32.897071001 31.686965998 54.550601999 C 31.692465961 32.596685934 54.516073575 O 30.537638987 32.137329471 54.364752309 C 32.805404790 30.704416801 55.738615937 O 32.877812879 31.400017785 56.990032485 N 31.942783970 33.925167241 54.643302230 C 30.924183004 34.954303996 54.514782000 C 31.165099292 35.862361351 53.278727066 O 30.543464637 36.930242636 53.152935633 C 30.724753595 35.761707133 55.810634278 C 29.816355222 35.167731125 56.898820846 O 29.005132828 34.234401925 56.522267121 O 29.851499688 35.672385977 58.054521781 N 32.027296829 35.388608935 52.339647822 C 32.064646998 35.924468004 50.969468000 C 30.860046997 35.427152996 50.158323012 H 21.689022988 40.969416998 58.988049982 C 22.547088016 41.319581003 59.569561022 C 22.842364400 42.799710431 59.487935103 O 23.497970405 43.370522570 60.393010721 C 23.756439155 40.424684146 59.223958251 C 23.282231258 38.972811801 59.334305155 C 24.334187092 37.888959311 59.348255184 O 25.427317820 37.958378725 58.733538449 O 23.946130208 36.848222146 60.033426188 N 22.395652432 43.487477262 58.403963723 C 22.797167005 44.863986002 58.165328000 H 21.965681992 45.497422006 57.900025002 C 23.863499235 45.019658776 57.051164744 C 25.132122063 44.282815947 57.324858461 C 25.497198149 42.987805631 56.998687587 N 26.189667071 44.784199959 58.067910929 C 27.136249426 43.823371570 58.174578464 N 26.736262970 42.719377642 57.537152230 H 25.248242036 49.914023015 59.570440022 C 24.423093961 49.401850984 59.075555979 C 24.103048855 48.170040755 59.936897457 C 25.338790765 47.296518586 60.114800498 N 25.480486752 46.604455150 61.257748771 O 26.201039518 47.225256502 59.193601055 H 19.270630869 31.358207914 59.579210002 C 20.170241200 31.259410176 58.971132010 C 21.208588859 30.464796701 59.776623671 O 21.350757925 30.631638867 61.011309967 C 20.673394495 32.624564135 58.442936746 C 21.519420510 33.385528719 59.402822992 C 22.880308912 33.627291758 59.398021577 N 21.055153131 33.960488157 60.577422093 C 22.091339816 34.521189331 61.239320897 N 23.218825954 34.330408407 60.541505710 N 21.947498645 29.570119763 59.068128786 C 23.024831270 28.754786299 59.656503062 H 22.650573853 28.351390780 60.618668971 C 24.323106830 29.542800780 59.862804117 C 24.899598684 30.037525665 58.534491811 C 25.830416809 31.222209448 58.630535717 O 26.094324376 31.731759521 59.768550630 O 26.289470483 31.655524937 57.514968185 H 25.342343004 28.901556987 65.956376002 C 25.430582996 29.593704005 66.782122991 H 25.235584001 29.098263004 67.755772999 C 24.423152477 30.759009438 66.603091509 C 24.375957208 31.317093648 65.210145525 C 25.187976672 32.209528288 64.532693526 N 23.418879960 30.927682830 64.277118287 C 23.623204121 31.541817916 63.096275093 N 24.703422801 32.322572623 63.239136427 H 24.889819978 37.055719040 67.047361999 C 25.452204012 36.885365934 66.121681000 C 26.281710934 38.169001645 65.930382081 O 25.790424350 39.211837446 65.456985022 C 24.451291483 36.599810195 65.011251499 C 25.022092052 35.998003780 63.739333384 O 26.263159027 35.664582624 63.715581295 O 24.208482451 35.848556408 62.774394623 N 27.576033484 38.131192014 66.375455891 C 28.490866989 39.280094008 66.368273961 C 29.472561626 39.353508791 65.181800311 O 30.253106752 40.315488038 65.079180906 H 29.083429014 39.257538994 67.291201030 N 29.405965167 38.315668299 64.319478718 C 30.126259607 38.224873005 63.050110870 C 29.337105084 37.270552759 62.128290345 O 29.369567508 37.392279346 60.893061995 C 31.583442298 37.755709403 63.229909683 O 28.671034197 36.354887023 62.788901241 O 24.472156864 42.969685442 62.911950610 O 25.705997771 39.083471702 56.186795568 O 24.708121793 31.699208658 54.821947977 O 30.639600058 30.789330296 58.497809628 O 26.468592891 39.192583563 61.925414710 O 24.321746949 40.182181183 63.297740136 O 25.581692383 37.745645212 53.705538862 O 26.932175688 43.431581856 61.850568952 O 28.305360541 41.187756337 61.965489475 O 27.294243884 35.604658264 54.245368383 H 30.699472002 30.376336999 66.032443998 C 31.018906004 30.890758000 65.104316002 H 31.997505995 31.360958001 65.227863994 C 30.072556995 31.989406057 64.575617493 C 28.881213207 31.463280126 63.747918183 C 28.304479179 32.495939617 62.790893578 O 28.092158600 33.682187232 63.227348755 O 28.055262226 32.121409182 61.588976902 H 36.469287000 31.575154002 63.532723999 C 36.987892999 32.139355000 62.737355002 H 37.705291000 32.836250997 63.183208999 C 36.038772912 32.852488095 61.766576000 C 35.332146784 34.076575353 62.370488543 C 34.423376918 34.821403338 61.385140978 N 33.261626018 33.996699018 61.024017025 C 32.129776975 34.467020993 60.484873980 N 32.012121329 35.762219121 60.141732581 N 31.095536603 33.632347700 60.277889429 O 23.991894988 45.671523015 63.479741946 O 29.238869003 29.787565000 60.815742000 O 26.133275827 29.339037982 54.738420361 H 30.823440984 28.032881700 57.891229399 H 28.233625050 26.431020211 58.413193000 H 28.762967913 27.838954864 59.377529818 H 32.870673156 42.620937275 54.071994987 H 31.837750764 40.539466718 52.032459324 H 31.451932659 42.269965089 51.963057640 H 30.687325090 43.302368538 54.380023225 H 30.311287055 39.133074336 53.251213192 H 29.034050824 42.963401151 56.195391176 H 28.631291202 38.799823471 55.055695713 H 27.385659681 41.628431429 57.188618167 H 32.886546689 31.096915275 53.613234489 H 33.645760281 29.983849442 55.662632592 H 31.862849378 30.128487650 55.662544868 H 32.056155202 31.187891985 57.518341320 H 32.901449896 34.213558552 54.844393616 H 29.977219361 34.423967824 54.293275374 H 30.244404752 36.722890622 55.541846521 H 31.693856626 36.017897335 56.276346172 H 32.408938987 34.454139239 52.485271408 H 32.067746054 37.026302434 51.034725913 H 33.018913971 35.608459585 50.514747321 H 29.913451795 35.726634778 50.640029910 H 30.878805996 34.326456001 50.066353999 H 30.876320653 35.854022243 49.138757268 H 22.283168250 41.128453081 60.627816494 H 24.590347377 40.623187478 59.921422675 H 24.120451655 40.640603451 58.203419338 H 22.607251574 38.744496556 58.481521171 H 22.679165275 38.842172491 60.250334383 H 21.904577867 42.973930502 57.672142145 H 23.201687114 45.231628407 59.122178777 H 23.446792771 44.655437157 56.094245909 H 24.061346014 46.100169375 56.922849645 H 24.961387768 42.252940212 56.397831213 H 26.254886310 45.742193721 58.505262822 H 28.089103169 43.957001547 58.689553253 H 24.739465551 49.119848965 58.058809700 H 23.323333581 47.541921040 59.461834189 H 23.703838424 48.464282347 60.924699816 H 26.283899222 45.978877812 61.342155512 H 24.782265572 46.537351738 62.017196776 H 19.869497937 30.667951792 58.086307235 H 19.800230965 33.227863331 58.129915192 H 21.278541181 32.445553896 57.536729071 H 23.620010333 33.362372711 58.642322480 H 22.010556631 35.067456256 62.178827481 H 21.840085293 29.577243296 58.042961132 H 23.186696875 27.898560366 58.977794223 H 24.115986578 30.399581812 60.524883014 H 25.057481758 28.905994139 60.390091365 H 25.460392121 29.239750484 58.007172256 H 24.094059938 30.344379245 57.837167680 H 26.467555779 29.973316794 66.790566673 H 23.405585296 30.414329967 66.865908960 H 24.662502531 31.578444534 67.304697486 H 26.057331418 32.774992322 64.868076744 H 22.652198269 30.276375101 64.455476971 H 22.990503596 31.413536819 62.209600791 H 26.111917759 36.019123474 66.300850590 H 23.676138102 35.898306232 65.373609091 H 23.910834670 37.520104674 64.721977473 H 27.908896342 37.263197345 66.795607888 H 27.894689860 40.208674083 66.360003619 H 28.706970328 37.587698599 64.483871455 H 30.118557967 39.220075090 62.569092683 H 31.618757105 36.753355969 63.691455592 H 32.117472323 38.467263918 63.881862538 H 32.097328642 37.719938825 62.254850631 H 23.990739261 43.012327886 62.036210539 H 25.426927174 43.112083740 62.616822279 H 26.466033608 39.728328728 56.313040436 H 25.454965025 38.845668389 57.119012804 H 28.203844825 39.543606372 58.013234037 H 23.897342975 31.418882719 55.315402205 H 24.364426643 31.829656688 53.881882191 H 30.004786511 31.553790417 58.591242189 H 30.079730505 30.132508825 57.970182797 H 29.232736639 31.952403195 55.534187383 H 25.613686170 39.481974757 62.363729046 H 26.376321252 38.240821775 61.676127573 H 24.386112995 41.178403256 63.257026272 H 24.714306305 39.924080129 64.167901012 H 25.352608770 38.431385758 54.373349031 H 25.176702614 37.945528806 52.836799147 H 27.488054686 42.575704209 61.876523502 H 26.661390539 43.496603413 60.914382080 H 26.829927245 37.685233560 56.322920318 H 27.688244880 40.401626923 61.895419756 H 29.005196739 41.037542397 61.277740092 H 26.903648406 34.812956976 54.733131983 H 26.542419404 36.190543453 53.982925165 H 31.154360633 30.104605188 64.336487136 H 29.712111701 32.631655982 65.400052430 H 30.669833513 32.652667981 63.921099816 H 29.187978214 30.593630115 63.141330055 H 28.056600220 31.121479026 64.404858239 H 37.586896395 31.389132785 62.186564065 H 36.611931365 33.184656781 60.877554517 H 35.298868747 32.117224239 61.389064450 H 34.741169591 33.785736191 63.261916339 H 36.094955884 34.796970572 62.723418315 H 34.049475381 35.749225625 61.854422731 H 34.996663753 35.106278407 60.477498730 H 31.204325869 36.025912242 59.565375347 H 32.851736976 36.321647735 60.015479661 H 30.161605606 34.025612572 60.093027106 H 31.102498022 32.724270503 60.737464019 H 24.123172231 44.681288877 63.463821343 H 23.830989000 45.918565994 64.421695998 H 29.830965612 30.071468259 60.076076180 H 28.721908262 30.601902540 61.021239799 H 26.548586778 29.005910625 55.601966885 H 25.796048575 30.266836689 54.887324328 H 29.056457526 39.348151678 59.336845739 H 25.865268289 32.946156635 55.556504661 H 28.542731585 30.737313988 56.420217545 H 33.412218996 32.987401989 60.998136990 H 27.485643953 36.391889572 55.714922700 H 25.146298512 32.914085319 62.483192695 H 20.090501421 33.941751364 60.908846376 H 31.735597513 38.526974009 59.146380774 H 30.532561094 39.851889636 57.354204170 H 31.910515939 40.959373472 57.241256287 H 31.430817525 42.829165486 58.256967601 H 30.557699979 42.978292828 59.759763344 H 33.169908981 39.566184986 58.953843979 C 32.279198054 39.175109992 58.438897025 C 31.372425660 40.283645493 57.928534972 C 30.778674879 41.068387043 59.079417948 N 30.928528053 42.381352977 59.019792044 O 30.173873634 40.505785433 60.031540776 H 32.626991247 38.544058221 57.602377445 N 22.485929362 39.035209756 54.472999528 C 23.022998956 40.393001960 54.533998965 H 22.255798013 41.057584017 54.872573009 C 23.479061480 40.851041300 53.132835141 C 24.633999032 41.823002078 53.204998935 C 25.938999010 41.365001971 52.987000090 C 24.432998977 43.206001928 53.490999015 C 27.012999006 42.258002004 53.019998984 C 25.548999019 44.110002039 53.555998993 C 26.827998995 43.625001983 53.334000014 H 23.806815627 39.972155546 52.545393282 H 22.623243343 41.290490366 52.587144874 H 26.118791411 40.306826160 52.757135535 H 23.413946217 43.587413660 53.640768600 H 28.028596033 41.885682353 52.835903721 H 25.372246034 45.170292247 53.776755258 H 27.695960669 44.295335820 53.370377705 H 21.044552011 36.869196011 54.393027025 C 21.594998961 36.938001973 55.307998964 C 21.919768977 38.405777500 55.535729779 O 21.655327249 39.011709758 56.596784955 C 22.778494054 35.945870739 55.219562054 C 23.609303741 35.926570043 56.506164820 C 22.237065293 34.548628240 54.875197364 H 20.919944961 36.628209361 56.127269247 H 23.442451389 36.268317713 54.391485654 H 22.977873426 35.674219846 57.378948888 H 24.076245018 36.906443301 56.698938745 H 24.420972254 35.179420987 56.444019527 H 21.546081125 34.190191452 55.662142372 H 23.060522179 33.818150082 54.795236008 H 21.685561855 34.548252766 53.916984445 H 23.867088818 40.417441107 55.249990258 H 22.727792583 38.468707654 53.660247563 H 20.945258982 27.056647004 52.914475995 C 21.601000027 26.282000005 53.311999999 C 23.014465482 26.356803589 52.725699799 C 23.737831251 27.681268877 52.968987141 N 23.885280444 28.015480187 54.427547977 H 21.269147740 33.536636851 49.267083843 C 21.496000616 33.330002479 50.313001235 H 22.064080727 34.150799707 50.750806944 C 22.296167420 32.012047348 50.401678059 C 22.681606974 31.684830171 51.837360461 N 21.753002635 31.033558944 52.571828611 O 23.793998038 32.039699332 52.301984020 Cl 21.839000700 30.339999776 55.765998952 H 20.537176064 33.250139120 50.856594475 H 20.852771607 30.791856874 52.163027108 H 21.872233015 30.862400069 53.585003173 H 21.705799938 31.182057099 49.970358888 H 23.231380669 32.096040511 49.821484697 H 23.097635980 28.593598780 54.798019632 H 24.820332127 28.583623078 54.593571684 H 23.948484406 27.165646836 55.004920963 H 22.982074958 26.201279036 51.630478532 H 23.634267052 25.531324818 53.130400630 H 21.138926693 25.304956433 53.083443520 H 21.605656398 26.383739689 54.413268362 H 24.755652306 27.648205544 52.544227466 H 23.204718741 28.527901872 52.502900491 H 23.555994423 50.080482885 59.011279634 S2H Mn 24.883100379 35.418701102 60.839517225 Mn 27.342492527 35.163895783 62.092164604 Mn 27.347554621 33.257933379 60.040988790 Mn 27.643110031 33.084749752 57.307528062 Ca 27.734054609 36.646256889 59.001242471 O 26.432121356 36.422717684 61.091507386 O 28.362032896 34.666464504 60.635766926 O 26.032300967 33.949583329 61.364749310 O 28.546396669 32.557043049 58.792470930 O 26.774355504 34.183370815 58.532478694 O 26.470448440 33.701382499 55.758169973 O 28.455242423 31.710438716 56.089298959 O 27.317906469 36.859108968 56.606440154 O 28.446688316 38.882537240 58.676307586 H 30.386279016 26.554955960 57.103004978 C 30.312281968 27.064948093 58.050497021 H 30.925319007 26.579769963 58.850732995 C 28.845929649 27.371639575 58.379549452 C 28.236427133 28.362893241 57.373367007 O 28.942386262 29.411981433 57.086110336 O 27.094548658 28.134354218 56.880711501 H 33.765458993 42.205888989 52.647136015 C 33.048045024 41.804450014 53.345645975 H 33.479305989 40.971405989 53.939090005 C 31.738042329 41.411147274 52.645571965 C 30.639210122 41.182842096 53.659555304 C 30.247513157 42.240390652 54.511121363 C 30.040710510 39.923338805 53.859050600 C 29.313448629 42.050496780 55.533573438 C 29.090843638 39.719404695 54.874412641 C 28.718313024 40.779655696 55.733809253 O 27.817572277 40.578820247 56.732821606 H 33.875560998 32.213250005 54.592799993 C 32.897070995 31.686965989 54.550602000 C 31.710504415 32.619544166 54.522782547 O 30.546894566 32.179253877 54.380460201 C 32.804170698 30.704683463 55.735356355 O 32.904202085 31.405354635 56.982267406 N 31.971514605 33.952650851 54.642624821 C 30.924183017 34.954304008 54.514781998 C 30.993006687 35.774631447 53.216337806 O 30.081974851 36.599821015 52.976593245 C 30.723900303 35.792297936 55.794410996 C 29.815069081 35.200233085 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24.423093961 49.401850986 59.075555979 C 24.091822604 48.170496542 59.933816704 C 25.312072720 47.273877307 60.097928443 N 25.468054346 46.600275538 61.249076181 O 26.151587454 47.168987534 59.157632126 H 19.270630871 31.358207917 59.579210003 C 20.170241198 31.259410176 58.971132003 C 21.209752204 30.465674644 59.774287401 O 21.361667524 30.642364287 61.006444324 C 20.669956616 32.627166688 58.446833410 C 21.513262494 33.386276953 59.410336757 C 22.873076614 33.631467479 59.405398950 N 21.048710348 33.953522745 60.588489485 C 22.082677307 34.513424543 61.252954683 N 23.210792967 34.329019130 60.552912189 N 21.940701854 29.562586432 59.068315941 C 23.024831269 28.754786304 59.656503054 H 22.650573855 28.351390781 60.618668972 C 24.320114528 29.559102478 59.845710149 C 24.869173287 30.082903007 58.512506430 C 25.826704508 31.246707846 58.616620168 O 26.107727713 31.736110041 59.757790213 O 26.300561384 31.691567859 57.505155164 H 25.342343005 28.901556990 65.956376002 C 25.430582996 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35.330165020 34.074296930 62.373931697 C 34.422318536 34.821875844 61.390155480 N 33.261626026 33.996699009 61.024017009 C 32.129776976 34.467021002 60.484873999 N 32.012316997 35.763203112 60.150443102 N 31.093988301 33.630961414 60.275513409 O 23.991894987 45.671523017 63.479741945 O 29.238869002 29.787565009 60.815741992 O 26.161110470 29.365364436 54.703288364 H 30.835168819 28.026738501 57.888517064 H 28.221007200 26.461849268 58.396507532 H 28.767646399 27.852563892 59.375288864 H 32.853423429 42.620532871 54.066782849 H 31.881290792 40.505116910 52.027365811 H 31.446777355 42.223125015 51.948941919 H 30.690460884 43.237130766 54.375295839 H 30.323114554 39.075376832 53.220147432 H 29.034912005 42.890230687 56.179839427 H 28.637188314 38.731150622 55.018823660 H 27.292322855 41.733832142 57.226987298 H 32.877254071 31.105922798 53.608105062 H 33.630670934 29.969769082 55.646840882 H 31.850896286 30.144713953 55.673472962 H 32.110214437 31.165931563 57.538748696 H 32.923844536 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59.835021786 C 24.946556103 29.906631231 58.484388599 C 26.004736593 30.983782495 58.520376107 O 26.205603773 31.607286229 59.622969340 O 26.606561435 31.227411636 57.417196730 H 25.342343013 28.901556999 65.956376015 C 25.430582981 29.593703988 66.782122948 H 25.235584004 29.098262994 67.755773022 C 24.410492604 30.748463961 66.604326480 C 24.349342132 31.295049123 65.208204569 C 25.150320725 32.190419843 64.522654480 N 23.394660959 30.888007367 64.280162333 C 23.589409272 31.495560756 63.094201405 N 24.661640633 32.288813341 63.229437770 H 24.889819992 37.055718988 67.047362074 C 25.452203987 36.885366008 66.121680909 C 26.286123026 38.161886257 65.898073137 O 25.824574117 39.174744075 65.339350554 C 24.470304260 36.548437863 65.010077820 C 25.082072097 35.894913953 63.786485382 O 26.315788562 35.572775962 63.785309210 O 24.279740089 35.702060025 62.806265427 N 27.558938927 38.144507503 66.402039512 C 28.490867020 39.280093986 66.368274009 C 29.492513033 39.293139448 65.200210202 O 30.271660984 40.249754526 65.056778245 H 29.083428990 39.257539010 67.291200999 N 29.457300462 38.200733476 64.404191926 C 30.228863339 38.046466310 63.174821132 C 29.404262222 37.164815877 62.218175258 O 29.426672135 37.369284383 60.987557133 C 31.629550547 37.456407279 63.427288531 O 28.722869912 36.232540038 62.820451923 O 24.499736133 42.988593665 62.875150177 O 25.721568867 38.797954511 56.267896138 O 24.745820597 31.658702029 54.666939542 O 30.691144261 30.644669137 58.500640751 O 26.324014525 39.269822941 61.770216813 O 24.277362799 40.226185254 63.286160453 O 25.581692672 37.745645351 53.705539042 O 27.033117070 43.378781472 61.977306046 O 28.318678385 41.080442024 62.057267882 O 27.540188692 35.916470039 54.244562878 H 30.699472023 30.376337009 66.032444008 C 31.018905952 30.890757980 65.104315970 H 31.997506022 31.360958017 65.227864011 C 30.061829239 31.968783221 64.561452538 C 28.863974832 31.412962083 63.760514284 C 28.274195851 32.429774028 62.799131718 O 28.108744695 33.630037489 63.211673376 O 27.971860684 32.045557506 61.614499455 H 36.469286995 31.575154013 63.532724004 C 36.987893022 32.139354978 62.737354980 H 37.705290995 32.836251003 63.183209004 C 36.032524039 32.860653066 61.779651149 C 35.304088091 34.054788030 62.416674072 C 34.400347344 34.824295257 61.446877379 N 33.261625800 33.996699206 61.024017336 C 32.129777164 34.467020880 60.484873668 N 32.005662413 35.770459451 60.173443729 N 31.121014220 33.617000606 60.249777719 O 23.991895002 45.671523020 63.479741976 O 29.238869003 29.787565006 60.815742013 O 26.178827207 29.280693069 54.610939037 H 30.828562664 28.027873840 57.892703792 H 28.229874534 26.432398330 58.408675499 H 28.726549114 27.896071366 59.307810038 H 32.855205631 42.620749171 54.067547820 H 31.880244396 40.498761107 52.036061819 H 31.418764877 42.208973632 51.974785987 H 30.687839127 43.172369993 54.462687616 H 30.312784262 39.047816730 53.182576214 H 28.994285428 42.787837930 56.216576615 H 28.585951751 38.667528953 54.929891893 H 27.208735427 41.646148290 57.185339870 H 32.914195819 31.047129661 53.647876992 H 33.562850871 30.021029122 55.752904941 H 31.786561033 30.216014808 55.702198983 H 32.049703079 31.206733950 57.577003949 H 32.887220436 34.218050841 54.996550295 H 29.996712933 34.363940149 54.377056851 H 30.247670089 36.742266046 55.547814662 H 31.711351306 36.049651072 56.258032243 H 32.643627934 34.742913092 52.663070380 H 32.107614807 37.029710475 50.953194756 H 33.015209974 35.550451410 50.555769654 H 29.911255116 35.737284583 50.624185194 H 30.878806001 34.326455989 50.066354001 H 30.896647687 35.850112593 49.138184765 H 22.242903059 41.197306101 60.628594321 H 24.546913948 40.583417044 60.009983920 H 24.094490090 40.482174092 58.284982518 H 22.494511265 38.703998238 58.686183552 H 22.513645955 38.962594586 60.453991934 H 21.784630262 43.016914102 57.737214319 H 23.213430999 45.235837182 59.115371114 H 23.416370816 44.657975694 56.084226336 H 24.092703611 46.071436798 56.921757044 H 24.872269666 42.207696864 56.310147207 H 26.245833113 45.624670735 58.495906096 H 28.052542176 43.771194851 58.642459556 H 24.738514221 49.121575245 58.057724213 H 23.276388924 47.573957087 59.456004986 H 23.715053433 48.459643137 60.925969909 H 26.244286913 45.931831701 61.292485624 H 24.786304352 46.549987869 62.007784980 H 19.883671714 30.704951783 58.059419995 H 19.813755968 33.254956100 58.194369353 H 21.330693965 32.520681314 57.642675949 H 23.583207133 33.431050231 58.824355082 H 21.870686858 35.134887223 62.306619877 H 21.854046209 29.589419361 58.038837876 H 23.168247680 27.890211896 58.983076296 H 24.161349554 30.415158572 60.443668458 H 25.053582258 28.883202128 60.402379617 H 25.387406913 29.038602449 57.957764277 H 24.161037263 30.298497533 57.804282712 H 26.464414275 29.981142736 66.789517141 H 23.398541230 30.394742022 66.876366059 H 24.646218702 31.574999736 67.298710881 H 26.015162023 32.764980145 64.854134652 H 22.635611731 30.229441262 64.465254798 H 22.958089432 31.353444185 62.207895000 H 26.121104806 36.030658076 66.325609832 H 23.687404604 35.862702983 65.385418838 H 23.936842818 37.451830723 64.659985220 H 27.863358358 37.302056753 66.890323388 H 27.919726844 40.223140993 66.335208056 H 28.766304386 37.473128267 64.599059194 H 30.327442366 39.039881944 62.702233434 H 31.557647650 36.456532523 63.889830174 H 32.188484623 38.123170610 64.105306956 H 32.188111938 37.371891327 62.480220433 H 24.087028693 43.015443433 61.964536324 H 25.477247637 43.108522406 62.651997162 H 26.471690671 39.479347501 56.366444904 H 25.283469248 38.780364035 57.153751546 H 28.149478733 39.571881361 57.949741426 H 23.957942879 31.438583241 55.222279439 H 24.357157209 31.747575288 53.729106538 H 30.057099656 31.399533487 58.689417019 H 30.139388096 30.036289487 57.917951831 H 29.454814569 31.656394026 55.147656406 H 25.521402499 39.561858362 62.302950250 H 26.319863999 38.282844078 61.763600947 H 24.359461747 41.222218388 63.254639899 H 24.686265107 39.944890867 64.140973281 H 25.292703722 38.383680099 54.397251878 H 25.176702303 37.945528686 52.836799019 H 27.557991614 42.503809619 62.011710235 H 26.807692006 43.465700030 61.031334049 H 26.533155281 37.365103214 56.626693141 H 27.650509059 40.340232828 61.941664188 H 28.994247158 40.950625643 61.344283218 H 26.849215145 34.162906331 54.776547758 H 26.866840631 36.593030467 53.945992727 H 31.162974651 30.098530327 64.343739186 H 29.704230888 32.627889397 65.373551771 H 30.645909482 32.620061963 63.883629678 H 29.165601405 30.534383636 63.164050692 H 28.049842963 31.080123605 64.435059064 H 37.583702598 31.391833245 62.179966012 H 36.603409140 33.226309886 60.902353263 H 35.305704260 32.123946749 61.379982568 H 34.706437304 33.725080586 63.289990659 H 36.053734012 34.770905695 62.804705756 H 34.003026614 35.726704474 61.944945789 H 34.986691925 35.154905313 60.563466129 H 31.179554999 36.061360054 59.645879194 H 32.841618104 36.334781654 60.044894648 H 30.216230574 33.919419623 59.871648631 H 31.143154003 32.685498459 60.656645838 H 24.126125121 44.682493646 63.456903826 H 23.830988986 45.918565989 64.421695974 H 29.852487389 30.009073752 60.074824016 H 28.733256551 30.617701878 60.971388699 H 26.612767149 28.943987178 55.464081424 H 25.860624088 30.209832986 54.768203649 H 29.022691598 39.461568445 59.294125495 H 25.858500071 32.877036419 55.045351173 H 28.784702458 30.404799534 56.118227648 H 33.412219034 32.987401914 60.998136932 H 27.415515818 36.244900479 55.988812267 H 25.092548148 32.886181699 62.472875288 H 20.001479378 33.957376735 61.015189461 H 31.735738031 38.529664029 59.148982635 H 30.536064880 39.856992774 57.349993227 H 31.915795757 40.961878506 57.244784005 H 31.460163043 42.828011135 58.276212987 H 30.565438920 42.975796923 59.765906065 H 33.169908988 39.566185021 58.953843997 C 32.279198016 39.175109916 58.438897001 C 31.375197036 40.285049874 57.928758069 C 30.778674948 41.068387133 59.079417983 N 30.928528007 42.381352911 59.019792036 O 30.156649903 40.507972141 60.022288126 H 32.627279763 38.542747926 57.603548036 N 22.485111931 39.035504127 54.469885477 C 23.022999069 40.393001930 54.533998938 H 22.255797950 41.057584039 54.872573008 C 23.479199858 40.852051412 53.133542159 C 24.633998999 41.823002118 53.204998901 C 25.938999082 41.365001911 52.987000191 C 24.432998994 43.206001922 53.490999025 C 27.012998952 42.258002025 53.019998902 C 25.548999005 44.110002048 53.555998967 C 26.827999031 43.625001968 53.334000080 H 23.803993376 39.973660851 52.543660056 H 22.622661212 41.293955741 52.591187095 H 26.117624045 40.307129067 52.755298933 H 23.413873827 43.588125818 53.638311709 H 28.028241260 41.885541428 52.834219327 H 25.372044154 45.170562870 53.775056342 H 27.695578538 44.295998807 53.368703698 H 21.044552042 36.869196016 54.393027051 C 21.594998905 36.938001952 55.307998919 C 21.992229815 38.381698950 55.553133818 O 21.870155076 38.949416761 56.660174048 C 22.741301547 35.903255018 55.187196558 C 23.510754080 35.752535173 56.498680937 C 22.162520142 34.557567752 54.718956399 H 20.917576639 36.639825571 56.129358096 H 23.446376469 36.261774820 54.409577122 H 22.836453997 35.425042755 57.311998408 H 23.971201982 36.707242427 56.804570650 H 24.317623292 35.005190989 56.402955660 H 21.425299604 34.169234297 55.447819872 H 22.959501773 33.800521561 54.613383813 H 21.652320126 34.650555295 53.742642707 H 23.862084800 40.416465135 55.254730381 H 22.568478823 38.524758233 53.591331498 H 20.945258983 27.056646998 52.914475995 C 21.601000026 26.282000010 53.311999999 C 23.002912446 26.339694997 52.698831593 C 23.732128172 27.663196142 52.922729995 N 23.892467615 28.003723867 54.379280850 H 21.269147722 33.536636830 49.267083859 C 21.496000647 33.330002516 50.313001211 H 22.064080717 34.150799689 50.750806952 C 22.274776444 31.998971452 50.378085717 C 22.675164091 31.647914059 51.799801591 N 21.741458113 31.037649555 52.558763345 O 23.817085196 31.955221400 52.231171502 Cl 21.839000685 30.339999754 55.765998962 H 20.536312234 33.255053930 50.855860840 H 20.822842440 30.831906630 52.171182046 H 21.875410531 30.857022834 53.568808861 H 21.661040685 31.186625194 49.945966075 H 23.202543714 32.070761876 49.784786676 H 23.115465544 28.592099992 54.754725626 H 24.836742522 28.553908228 54.527310866 H 23.948238633 27.155286745 54.959695718 H 22.950063799 26.176007546 51.605732597 H 23.626042293 25.514860456 53.099514681 H 21.126727033 25.306071178 53.104864225 H 21.625947305 26.397788581 54.411541076 H 24.746581620 27.626593608 52.490534541 H 23.195686090 28.507648465 52.456756855 H 23.559793808 50.085231223 59.010162234 H 25.854507690 33.666797115 58.091311825 H 26.998117803 34.757403404 57.852974508 O 25.158677956 35.262722110 59.163284270 H 25.046878364 36.140804854 58.713050734 H 28.388112468 36.176088627 53.795899730 A2 Mn 24.852189576 35.407008138 60.875223104 Mn 27.353601145 35.060247252 62.078619504 Mn 27.455963433 33.132071047 60.005563949 Mn 27.860955712 32.772221987 57.191282254 Ca 27.691278199 36.958117398 59.186861869 O 26.442918950 36.374607815 61.181596679 O 28.404888652 34.583700466 60.620660647 O 26.080357898 33.880815061 61.284258236 O 28.671664658 32.305117606 58.768743094 N 27.091938839 34.035777540 58.360302999 O 26.691686494 33.499814144 55.650829075 O 28.601731687 31.440551638 55.892849588 O 27.068110360 36.846367294 56.822501255 O 28.286955703 39.158559257 58.785058542 H 30.386279059 26.554955899 57.103005045 C 30.312281840 27.064948281 58.050496870 H 30.925319089 26.579769858 58.850733062 C 28.838148037 27.323114097 58.372108714 C 28.236888325 28.255711133 57.315817227 O 29.005591673 29.226265957 56.932866165 O 27.072259873 28.058632020 56.868108463 H 33.765458967 42.205889015 52.647136011 C 33.048045073 41.804449958 53.345645985 H 33.479305960 40.971406018 53.939089998 C 31.739841754 41.396731073 52.649379590 C 30.638452765 41.158259040 53.660294679 C 30.247462943 42.206502606 54.523366652 C 30.021147422 39.903031214 53.832912026 C 29.291448374 42.013200251 55.524525362 C 29.049147038 39.696162431 54.827741206 C 28.670156159 40.749882458 55.691401790 O 27.737007477 40.556753028 56.662219221 H 33.875561003 32.213250010 54.592799989 C 32.897070990 31.686965973 54.550602008 C 31.723292809 32.627060400 54.443076192 O 30.579376137 32.201950245 54.163239520 C 32.770352783 30.734315117 55.753854253 O 32.855259081 31.456475477 56.986857966 N 31.972006486 33.953484481 54.646948733 C 30.924183040 34.954304007 54.514781979 C 31.002793941 35.789028359 53.225977502 O 30.095566472 36.621180401 52.992856457 C 30.684671305 35.765497361 55.802605329 C 29.762086507 35.104555545 56.840647764 O 29.251312141 33.958322581 56.501231435 O 29.512549817 35.703037266 57.918436680 N 32.001742963 35.484655739 52.372463641 C 32.064646993 35.924468012 50.969468011 C 30.860047019 35.427152954 50.158322996 H 21.689022988 40.969416996 58.988049983 C 22.547088018 41.319581001 59.569561016 C 22.874887839 42.791378503 59.463091418 O 23.599019588 43.343511641 60.327495439 C 23.731156531 40.408125797 59.268002937 C 23.186493814 38.993053862 59.434780227 C 24.231207410 37.941596340 59.604255154 O 25.278120528 37.927685685 58.888668395 O 23.920961464 37.062342571 60.502631403 N 22.391033638 43.490451179 58.404140793 C 22.797167007 44.863986001 58.165328008 H 21.965681992 45.497422006 57.900025001 C 23.850829724 45.025001057 57.040320082 C 25.111053543 44.268919367 57.289326174 C 25.451193940 42.979248753 56.927450010 N 26.178633030 44.741029947 58.038920756 C 27.117398784 43.778367909 58.122639494 N 26.688800828 42.697554391 57.458408053 H 25.248242034 49.914023015 59.570440022 C 24.423093957 49.401850984 59.075555980 C 24.091505842 48.169937479 59.932987163 C 25.308907197 47.268712547 60.092849202 N 25.465313169 46.593357795 61.242963530 O 26.145247943 47.161217080 59.149917828 H 19.270630884 31.358207944 59.579210042 C 20.170241188 31.259410137 58.971131955 C 21.212695037 30.472359673 59.775300656 O 21.362074556 30.648182145 61.007760189 C 20.635235343 32.648568860 58.479045216 C 21.425660995 33.423811483 59.473837929 C 22.786885632 33.629385460 59.518605901 N 20.926204693 34.064714773 60.601101743 C 21.952954030 34.633882157 61.276424830 N 23.101252726 34.386800991 60.632605765 N 21.945670128 29.570348899 59.069707882 C 23.024831279 28.754786326 59.656503055 H 22.650573856 28.351390772 60.618668976 C 24.332521317 29.541892339 59.823675727 C 24.872876280 30.032017133 58.474253464 C 25.897870780 31.138141390 58.548718581 O 26.150664193 31.683690911 59.670160587 O 26.444227691 31.484231644 57.434079787 H 25.342342983 28.901556970 65.956376063 C 25.430583055 29.593704108 66.782122819 H 25.235583974 29.098262930 67.755773076 C 24.420522052 30.756565955 66.598518964 C 24.365179484 31.295053359 65.198213077 C 25.179689597 32.170077342 64.501889319 N 23.401416541 30.895343071 64.276409240 C 23.603230236 31.486429922 63.083685308 N 24.690034508 32.261436595 63.208317639 H 24.889819978 37.055719023 67.047362021 C 25.452204012 36.885365949 66.121680969 C 26.284064797 38.163848480 65.906884298 O 25.814916951 39.186081068 65.371418125 C 24.476571620 36.547418314 65.008872296 C 25.051354905 35.830349044 63.799936177 O 26.310331419 35.559208638 63.754845654 O 24.223296105 35.533408915 62.887989590 N 27.563962740 38.140488281 66.393874909 C 28.490866978 39.280094007 66.368273960 C 29.479125931 39.314534657 65.188960113 O 30.267628063 40.266174385 65.063126283 H 29.083429016 39.257539000 67.291201039 N 29.416656117 38.251054619 64.355544343 C 30.155356485 38.143856860 63.100777412 C 29.381579539 37.183436475 62.176273520 O 29.449491163 37.310203958 60.930383931 C 31.612958649 37.688053765 63.313927517 O 28.696962826 36.277835488 62.805494517 O 24.480652332 42.980013448 62.893836215 O 25.644585311 39.037182557 56.191914790 O 24.890266332 31.781110763 54.681944530 O 30.732045291 30.605056197 58.478428144 O 26.383327295 39.178160207 61.824329290 O 24.314687113 40.202969800 63.266788932 O 25.581691720 37.745644846 53.705539303 O 27.007286946 43.367784670 61.973320185 O 28.315902786 41.074215740 62.065702969 O 27.526049487 35.857530202 54.265614431 H 30.699472051 30.376337031 66.032444067 C 31.018905851 30.890757925 65.104315843 H 31.997506077 31.360958040 65.227864069 C 30.064171398 31.969921862 64.573992870 C 28.858549633 31.406801016 63.794032410 C 28.295083761 32.413460498 62.813396979 O 28.092936048 33.609216064 63.223740431 O 28.056209541 32.028618516 61.613758887 H 36.469287004 31.575154004 63.532724001 C 36.987892992 32.139355006 62.737354998 H 37.705291005 32.836250998 63.183209000 C 36.030784355 32.863032785 61.784471194 C 35.287866116 34.036890619 62.440359798 C 34.388613994 34.822759332 61.480864031 N 33.261626253 33.996698983 61.024017149 C 32.129776805 34.467021003 60.484873871 N 31.991655358 35.777909732 60.219097981 N 31.130717671 33.618040493 60.174495802 O 23.991894990 45.671523018 63.479741958 O 29.238869012 29.787565014 60.815742027 O 26.180869507 29.291239306 54.675105290 H 30.818527733 28.032598270 57.896036451 H 28.243077660 26.394136626 58.413886012 H 28.730677290 27.835151361 59.349747060 H 32.850152991 42.620822474 54.065435648 H 31.892014450 40.491037246 52.032807207 H 31.438926284 42.203213246 51.950279495 H 30.703093921 43.200270745 54.410487522 H 30.303492803 39.060774411 53.186861146 H 29.010926374 42.848270268 56.175774784 H 28.576752252 38.712941305 54.947578084 H 27.247122070 41.737794472 57.179307241 H 32.900953803 31.075073529 53.628051034 H 33.586503380 29.984376172 55.687358169 H 31.809859607 30.185930208 55.684697408 H 32.102606845 31.142038605 57.566452625 H 32.902019869 34.231267915 54.964869780 H 30.012441515 34.345936251 54.343983330 H 30.203950383 36.729353678 55.547264601 H 31.635304609 36.023213757 56.306255343 H 32.636158671 34.740465141 52.663612154 H 32.109210649 37.029547927 50.950611598 H 33.015253175 35.548119366 50.558120704 H 29.910878668 35.737675015 50.623393517 H 30.878805981 34.326456037 50.066354005 H 30.897151890 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31.392956482 62.177803588 H 36.601585337 33.248976278 60.915948303 H 35.313457909 32.125185831 61.370106706 H 34.685615942 33.683440299 63.301108888 H 36.027694452 34.750574241 62.850993148 H 33.978220916 35.705528757 62.004599190 H 34.978987246 35.184183863 60.613404270 H 31.060364058 36.188720953 60.107666447 H 32.742755524 36.424985344 60.439816015 H 30.181175061 34.000644161 60.060107852 H 31.167540709 32.678097775 60.564748715 H 24.119227767 44.681158557 63.459927283 H 23.830989000 45.918565993 64.421695992 H 29.849884147 30.016085041 60.075462216 H 28.761315965 30.623658875 61.022240511 H 26.583450818 28.961178655 55.544940363 H 25.915674060 30.240087801 54.799753131 H 28.991528578 39.610956937 59.323416243 H 26.009247766 32.885145316 55.217040481 H 28.705263743 30.449166432 56.241997655 H 33.412218921 32.987402011 60.998136963 H 27.359912520 36.408395834 55.978953565 H 25.127453695 32.832469876 62.442694259 H 19.947496066 34.101199053 60.886808508 H 31.739823910 38.521617535 59.144393892 H 30.522168713 39.841357205 57.360841897 H 31.894691577 40.953181036 57.234730444 H 31.431304747 42.831979771 58.258480381 H 30.572370455 42.973933371 59.770642106 H 33.169908996 39.566185008 58.953843987 C 32.279198035 39.175109956 58.438897012 C 31.364293603 40.278447718 57.928745966 C 30.778674904 41.068387049 59.079417965 N 30.928528043 42.381352985 59.019792040 O 30.185998765 40.514764250 60.046209074 H 32.629769633 38.547167181 57.601095051 N 22.486783738 39.034515852 54.472076103 C 23.022999073 40.393001964 54.533999043 H 22.255797961 41.057584021 54.872572949 C 23.478768540 40.851858834 53.133241936 C 24.633999049 41.823002009 53.204999255 C 25.938998957 41.365002020 52.986999709 C 24.432998969 43.206001958 53.490998887 C 27.012998999 42.258001984 53.019999070 C 25.548999016 44.110002030 53.555999032 C 26.827999013 43.625001995 53.334000001 H 23.803671670 39.973230139 52.543527431 H 22.622814612 41.293349061 52.589532690 H 26.117401826 40.307042292 52.755606450 H 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27.692603240 52.949207878 N 23.872014898 28.035212564 54.407132052 H 21.269147737 33.536636832 49.267083870 C 21.496000622 33.330002502 50.313001202 H 22.064080725 34.150799693 50.750806950 C 22.306765677 32.017311467 50.398676314 C 22.727112924 31.706886342 51.827629000 N 21.815569800 31.078472454 52.597183094 O 23.858817412 32.058968708 52.254230451 Cl 21.839000725 30.339999799 55.765998962 H 20.539152716 33.244883192 50.858685325 H 20.904713845 30.834566159 52.213457246 H 21.956483191 30.911506510 53.609177868 H 21.713414834 31.178221410 49.989843523 H 23.228147818 32.101286057 49.796910726 H 23.093155128 28.627827789 54.777331547 H 24.811307032 28.581541106 54.564232397 H 23.921675389 27.187549302 54.989276193 H 22.975068989 26.195749024 51.625311713 H 23.639724001 25.542715028 53.127341355 H 21.138583286 25.304500543 53.086792511 H 21.609463896 26.385953139 54.413028412 H 24.738441867 27.668287784 52.521207867 H 23.177025419 28.530676640 52.481277540 H 23.558718082 50.083704230 59.009179427 H 25.825547811 34.652481777 58.402480992 H 27.887474212 34.704726434 58.285255507 O 24.979937517 35.205782422 58.749780943 H 24.993126271 36.062750913 58.271326203 H 28.362457866 36.137740228 53.809341830 A3 Mn 24.953581582 35.393563426 60.803758168 Mn 27.353771892 35.075471224 62.139505335 Mn 27.339936340 33.153420819 60.035094209 Mn 27.667682661 32.913748155 57.307541907 Ca 28.321130189 36.745505873 59.473339265 O 26.515536755 36.384240323 61.114376357 O 28.367187974 34.580769184 60.664182756 O 26.031700833 33.912410764 61.392102988 O 28.587311920 32.496396084 58.817799666 N 26.563051761 33.848831943 58.509153147 O 26.469635186 33.516560792 55.733742101 O 28.558683903 31.620128845 55.996650198 O 27.687060826 37.013434528 55.598217905 O 28.456470061 38.964404159 58.781958906 H 30.386279033 26.554955937 57.103004987 C 30.312281933 27.064948171 58.050496995 H 30.925319030 26.579769925 58.850733010 C 28.842296881 27.350140750 58.370783000 C 28.248326611 28.292155530 57.314581932 O 28.972646874 29.310861453 56.983120293 O 27.110133038 28.045366197 56.817567469 H 33.765458896 42.205888948 52.647136070 C 33.048045098 41.804450105 53.345645831 H 33.479305999 40.971405941 53.939090066 C 31.727577905 41.467450272 52.642760407 C 30.641093824 41.263943618 53.669063026 C 30.214662729 42.341939228 54.476986462 C 30.128585964 39.985456454 53.951626738 C 29.312163529 42.155219885 55.531271131 C 29.223919175 39.782852586 55.002505256 C 28.799597227 40.863486336 55.808765315 O 27.919998469 40.648446577 56.827638324 H 33.875561014 32.213250009 54.592799999 C 32.897070980 31.686965982 54.550601993 C 31.714999056 32.618939791 54.471163184 O 30.562894398 32.184059393 54.243575614 C 32.779923940 30.729174573 55.753229515 O 32.848599044 31.452016206 56.988089602 N 31.964435946 33.946376342 54.647973707 C 30.924182988 34.954303986 54.514782038 C 31.058111838 35.806077837 53.233076600 O 30.234033279 36.721584879 53.006788766 C 30.697040140 35.765080940 55.801119526 C 29.800981929 35.141902789 56.887002596 O 28.958940546 34.231779529 56.532956076 O 29.889110631 35.617771916 58.057337274 N 32.019716894 35.443362923 52.359842065 C 32.064646959 35.924468026 50.969468002 C 30.860047045 35.427152975 50.158323005 H 21.689022988 40.969416997 58.988049981 C 22.547088016 41.319580994 59.569561023 C 22.913736858 42.779151802 59.436886809 O 23.697379180 43.311981283 60.260857776 C 23.706495847 40.373807159 59.298479834 C 23.242846653 38.979135665 59.689819772 C 24.210389743 37.910352114 59.295983071 O 25.070117943 38.127777825 58.407260503 O 24.036877799 36.765745759 59.883416337 N 22.386882821 43.492516643 58.408774670 C 22.797167005 44.863986002 58.165327989 H 21.965681992 45.497422006 57.900025002 C 23.864168192 45.011808775 57.049621367 C 25.130650074 44.274980386 57.332855361 C 25.503912201 42.985548774 57.000434724 N 26.172841988 44.777929125 58.099080824 C 27.124708375 43.833505462 58.223325412 N 26.734126143 42.734298005 57.567729789 H 25.248242036 49.914023015 59.570440022 C 24.423093961 49.401850985 59.075555979 C 24.090652536 48.173875981 59.937787393 C 25.328231416 47.310437017 60.137836657 N 25.487561558 46.669259559 61.306654727 O 26.185742327 47.207343814 59.213975600 H 19.270630879 31.358207919 59.579209981 C 20.170241190 31.259410162 58.971132050 C 21.205848476 30.462542366 59.777812876 O 21.332620838 30.616689825 61.015917288 C 20.692173344 32.624714748 58.456644866 C 21.555817034 33.370391045 59.415732686 C 22.920878717 33.593010815 59.407617287 N 21.100543545 33.968609580 60.582561487 C 22.142540385 34.526223967 61.236342616 N 23.268174335 34.309771057 60.541341835 N 21.965997724 29.589462272 59.066437325 C 23.024831285 28.754786327 59.656503082 H 22.650573843 28.351390758 60.618668966 C 24.342427827 29.496638067 59.866289798 C 24.960631199 29.912438358 58.533466451 C 25.957679718 31.034429748 58.631986268 O 26.212841409 31.545136662 59.771107773 O 26.473031532 31.417158499 57.516707580 H 25.342342989 28.901556972 65.956376055 C 25.430583038 29.593704095 66.782122852 H 25.235583980 29.098262940 67.755773073 C 24.403174068 30.743814296 66.614623348 C 24.329354511 31.290832759 65.220407815 C 25.121516945 32.191056723 64.531859200 N 23.377643321 30.870969757 64.295044985 C 23.565861020 31.473928174 63.106132147 N 24.630862741 32.277729613 63.239056010 H 24.889819984 37.055719045 67.047361989 C 25.452203995 36.885365909 66.121681026 C 26.301362255 38.146974136 65.871191388 O 25.884644338 39.120277707 65.215876735 C 24.452774522 36.578916074 65.011428934 C 25.026242832 35.996379286 63.729599754 O 26.254782780 35.608049649 63.731114660 O 24.239969132 35.906734310 62.737066579 N 27.543507169 38.159701739 66.444467838 C 28.490866995 39.280094008 66.368273957 C 29.541915371 39.196601561 65.251192201 O 30.256079456 40.174438906 64.982521375 H 29.083429013 39.257538994 67.291201041 N 29.664056016 37.968007775 64.691007385 C 30.501699113 37.670695478 63.539113511 C 29.613877600 37.012293346 62.471789749 O 29.769092429 37.296641202 61.266139659 C 31.702543844 36.776025062 63.897461251 O 28.740573823 36.175498732 62.948882879 O 24.504257839 42.972983737 62.869629479 O 25.942268709 39.185772099 55.913091754 O 24.738337135 31.732656495 54.802800044 O 30.675434128 30.707254348 58.492262207 O 26.225177113 39.192109112 61.601552034 O 24.275445451 40.193940809 63.217987122 O 25.581693026 37.745645590 53.705538814 O 27.140092528 43.279963016 62.351639254 O 28.258745775 40.910903549 62.074778739 O 27.542549512 35.793832414 53.215471509 H 30.699472066 30.376337031 66.032444115 C 31.018905834 30.890757926 65.104315753 H 31.997506085 31.360958039 65.227864100 C 30.064003250 31.972714563 64.579638869 C 28.824254013 31.416890733 63.846972488 C 28.254360586 32.416830781 62.860651846 O 28.015713009 33.605503165 63.289535347 O 28.053347709 32.048221282 61.655776897 H 36.469286990 31.575154023 63.532724010 C 36.987893021 32.139354978 62.737354975 H 37.705290990 32.836251008 63.183209004 C 36.051076426 32.827490653 61.736632505 C 35.399023852 34.117642040 62.257156758 C 34.477069629 34.798916292 61.237278847 N 33.261625949 33.996699292 61.024017447 C 32.129777045 34.467020808 60.484873570 N 32.065460965 35.721457274 60.000685608 N 31.061753626 33.653504257 60.410227195 O 23.991894998 45.671523011 63.479741941 O 29.238869012 29.787565012 60.815742042 O 26.163896099 29.317228610 54.692619937 H 30.826002429 28.030433815 57.891402406 H 28.233003999 26.430558283 58.413076635 H 28.747948576 27.864620758 59.348248778 H 32.871298280 42.620303330 54.073083682 H 31.833401430 40.565554362 52.011159810 H 31.465051005 42.302293669 51.962743646 H 30.603494713 43.351571865 54.281265586 H 30.448789243 39.121993426 53.352662103 H 28.998048874 43.011656422 56.138590229 H 28.853207701 38.775159606 55.215958409 H 27.343574013 41.791637240 57.314852866 H 32.894545413 31.080703798 53.624199760 H 33.609239602 29.993870485 55.693218708 H 31.829390253 30.165370387 55.679168519 H 32.069157039 31.173421964 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26.587176574 28.964425211 55.547609997 H 25.852319350 30.243838162 54.862974031 H 29.089989294 39.514115513 59.328579607 H 25.798186200 32.827731527 55.382337615 H 28.648478456 30.635893714 56.307218042 H 33.412218970 32.987401873 60.998136916 H 27.594398335 36.456121184 54.767083031 H 25.064117848 32.861289591 62.481421659 H 20.134992364 33.970333024 60.912747152 H 31.739899379 38.526688001 59.149822314 H 30.537085823 39.856524871 57.351085210 H 31.913098514 40.962583043 57.247017691 H 31.436928852 42.830369284 58.261408561 H 30.564396632 42.975241380 59.765614945 H 33.169908938 39.566184934 58.953843899 C 32.279198157 39.175110051 58.438897154 C 31.373872627 40.284606489 57.930924853 C 30.778674679 41.068387002 59.079417829 N 30.928528131 42.381353013 59.019792138 O 30.176019527 40.513990625 60.040580375 H 32.626843841 38.545513290 57.601206605 N 22.476291698 39.038566110 54.472185719 C 23.022999019 40.393001882 54.533999089 H 22.255797956 41.057584058 54.872572920 C 23.480216046 40.849828368 53.133292367 C 24.633999009 41.823002129 53.204998843 C 25.938999075 41.365002010 52.987000039 C 24.432999013 43.206001903 53.490999150 C 27.012999020 42.258002014 53.019999106 C 25.548999009 44.110002074 53.555998901 C 26.827998988 43.625001954 53.334000008 H 23.810061089 39.970223101 52.547819680 H 22.624658764 41.288030803 52.586204386 H 26.118791894 40.309141979 52.748621250 H 23.413892857 43.587875411 53.638993105 H 28.028771534 41.886422576 52.835131226 H 25.371955069 45.170676010 53.774572782 H 27.696035688 44.295200137 53.369808603 H 21.044551954 36.869195988 54.393027057 C 21.594999026 36.938002004 55.307998889 C 22.000255096 38.379134219 55.560852062 O 21.898254081 38.933464413 56.676206654 C 22.737569969 35.899910979 55.173574500 C 23.585779502 35.808890634 56.440935069 C 22.140023778 34.536456994 54.790035643 H 20.922004562 36.638104429 56.132612820 H 23.395818075 36.229742493 54.343561897 H 22.965035740 35.528199592 57.312566998 H 24.063566386 36.775428510 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23.103629678 28.594229124 54.777744937 H 24.821960559 28.574043103 54.562445404 H 23.950607719 27.164504495 54.981853626 H 22.967758064 26.190289278 51.619351508 H 23.632219466 25.526853918 53.116782205 H 21.134201360 25.305319159 53.092108882 H 21.614331873 26.389197079 54.412653884 H 24.749625321 27.642515904 52.516756482 H 23.197127403 28.520769305 52.480061477 H 23.559374124 50.083890896 59.002937289 H 27.083536438 36.501216234 56.829277842 H 26.552902164 34.880018600 58.220026995 O 26.736799643 36.348867164 57.794950391 H 25.967896239 36.997011666 57.964878793 H 28.431241347 36.163506742 52.977154401 A4 Mn 24.854208321 35.408124084 60.856423511 Mn 27.320862138 35.147008459 62.059790146 Mn 27.340688565 33.250352514 59.959184770 Mn 27.637635813 32.925351792 57.089632545 Ca 27.860883346 36.897556887 59.175656685 O 26.402261373 36.425322149 61.110072986 O 28.288955341 34.704631391 60.529877623 O 26.013658072 33.938623936 61.344457604 O 28.527681704 32.601094192 58.753828120 N 26.553642761 34.084108227 58.314841058 O 26.572569829 33.437729508 55.666211758 O 28.565389699 31.564812380 56.011126416 O 27.099218338 36.634090561 56.885271057 O 28.389436706 39.099368594 58.716194205 H 30.386279014 26.554955968 57.103004980 C 30.312281974 27.064948081 58.050497021 H 30.925319008 26.579769970 58.850732997 C 28.841757314 27.338813356 58.379297599 C 28.238633076 28.299716983 57.347920640 O 28.968896777 29.325855338 57.039191754 O 27.099628743 28.071247544 56.852493944 H 33.765458967 42.205888992 52.647136025 C 33.048045044 41.804450010 53.345645958 H 33.479305985 40.971405987 53.939090014 C 31.731542089 41.435428599 52.646844748 C 30.624723604 41.209241975 53.653232765 C 30.248868102 42.245482282 54.536882485 C 29.994090073 39.958953765 53.800863425 C 29.295365414 42.039692497 55.539577468 C 29.028870120 39.738978214 54.797176777 C 28.667504521 40.777150228 55.684427029 O 27.741294122 40.562728090 56.660367852 H 33.875560999 32.213249999 54.592799994 C 32.897071000 31.686965996 54.550601998 C 31.701079822 32.603770599 54.497765519 O 30.548149626 32.150549555 54.301820486 C 32.796998158 30.717421374 55.747351353 O 32.868643687 31.429966305 56.989491464 N 31.945296324 33.929262343 54.659564477 C 30.924183002 34.954303996 54.514782001 C 31.167914547 35.863174090 53.280140796 O 30.534295495 36.923406489 53.152058485 C 30.673972698 35.753886508 55.807774196 C 29.737209791 35.147290390 56.865054139 O 28.974278825 34.178212429 56.456576603 O 29.699730679 35.659922637 58.013554746 N 32.030241068 35.391696089 52.341783374 C 32.064646996 35.924468005 50.969468003 C 30.860047006 35.427152990 50.158323005 H 21.689022988 40.969416997 58.988049982 C 22.547088016 41.319580999 59.569561022 C 22.865651884 42.794057055 59.472081039 O 23.569047213 43.351497628 60.349639542 C 23.751947615 40.415383750 59.253674834 C 23.282912809 38.973224591 59.432961452 C 24.341962352 37.901672611 59.437407041 O 25.470746100 38.025803714 58.911589764 O 23.914523698 36.808246265 60.020483974 N 22.391545357 43.489848760 58.406213285 C 22.797167006 44.863986001 58.165327999 H 21.965681993 45.497422006 57.900025002 C 23.849187398 45.021113337 57.038344650 C 25.107108492 44.261075910 57.286555412 C 25.442588909 42.969027544 56.928212733 N 26.176610348 44.730635734 58.034646899 C 27.111339365 43.762987733 58.119107341 N 26.679142350 42.681685989 57.458466763 H 25.248242036 49.914023015 59.570440022 C 24.423093962 49.401850983 59.075555979 C 24.092727509 48.167914653 59.930606428 C 25.309788323 47.265395246 60.088129830 N 25.466022663 46.589302439 61.238215867 O 26.145159301 47.157362273 59.144919947 H 19.270630872 31.358207924 59.579210011 C 20.170241193 31.259410161 58.971131994 C 21.218897694 30.477861200 59.774006039 O 21.368559476 30.655297328 61.006215002 C 20.639736943 32.639715787 58.453745368 C 21.465522403 33.405409147 59.425840430 C 22.829794547 33.609089167 59.442781048 N 20.998981886 34.008164141 60.584870851 C 22.039526615 34.550210382 61.255485206 N 23.174602727 34.318349328 60.579600841 N 21.957502968 29.581565591 59.067362416 C 23.024831276 28.754786307 59.656503057 H 22.650573848 28.351390773 60.618668977 C 24.337221418 29.522847311 59.856354747 C 24.940900772 29.955672055 58.517808102 C 25.886148591 31.128363113 58.570490473 O 26.098186819 31.726406241 59.678831086 O 26.393565339 31.480461280 57.442517246 H 25.342343005 28.901556988 65.956376001 C 25.430582995 29.593704003 66.782122988 H 25.235584002 29.098263005 67.755772997 C 24.416934205 30.753516478 66.607235764 C 24.357402936 31.297021806 65.210230138 C 25.176864884 32.164742830 64.511142261 N 23.383075674 30.909638360 64.294349360 C 23.581968116 31.501907588 63.102057639 N 24.677121817 32.266245998 63.222477776 H 24.889819983 37.055719036 67.047361996 C 25.452204006 36.885365936 66.121681003 C 26.282902401 38.166847153 65.916286591 O 25.805371826 39.195090405 65.400818224 C 24.455586746 36.582471708 65.014576985 C 25.018795520 35.968425774 63.747013766 O 26.257206613 35.617816098 63.710712266 O 24.197591891 35.825323908 62.787528417 N 27.567418531 38.137984111 66.389365327 C 28.490866991 39.280094008 66.368273961 C 29.493563945 39.310984031 65.202274740 O 30.272785973 40.268813585 65.070874046 H 29.083429013 39.257538994 67.291201030 N 29.458702552 38.227713704 64.393577109 C 30.215366115 38.097494678 63.153470208 C 29.388524476 37.229593476 62.189347515 O 29.447079813 37.409610632 60.958441856 C 31.622551243 37.509490405 63.376924621 O 28.662327096 36.324064180 62.786975255 O 24.480329169 42.975456775 62.901443618 O 25.735994285 38.906642063 56.208294391 O 24.680629743 31.631723066 54.793920140 O 30.650810389 30.772908023 58.514077095 O 26.410881191 39.220773721 61.916679558 O 24.294037504 40.210941457 63.299131629 O 25.581692270 37.745645321 53.705538900 O 26.994761056 43.378962297 61.955903216 O 28.347727696 41.113934175 62.060150743 O 27.301620821 35.708995409 54.439650756 H 30.699472006 30.376337002 66.032443999 C 31.018905986 30.890757993 65.104315991 H 31.997506003 31.360958005 65.227863998 C 30.059010147 31.983832546 64.565886598 C 28.969081791 31.458680418 63.604083820 C 28.364054585 32.509401179 62.684031092 O 28.144079369 33.682866833 63.138259999 O 28.086440597 32.155297911 61.474223017 H 36.469287000 31.575154003 63.532724000 C 36.987893001 32.139354998 62.737355000 H 37.705291000 32.836250998 63.183208999 C 36.037687745 32.853934306 61.769259887 C 35.325973687 34.070809665 62.381385658 C 34.419237062 34.822115213 61.399824522 N 33.261626010 33.996699042 61.024017070 C 32.129776985 34.467020977 60.484873939 N 32.018202077 35.765672136 60.152467587 N 31.096223698 33.634778162 60.264756765 O 23.991894988 45.671523014 63.479741945 O 29.238869004 29.787565001 60.815742003 O 26.160741691 29.308230366 54.678689979 H 30.820964032 28.033307809 57.893471049 H 28.235617847 26.416646944 58.405658835 H 28.748907028 27.833565694 59.367012262 H 32.864536026 42.621055971 54.069931558 H 31.860357679 40.534156451 52.018826644 H 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29.337741873 31.835616847 55.429629022 H 25.573056316 39.536042706 62.376675983 H 26.294194598 38.262487768 61.719311414 H 24.364306698 41.208336962 63.265576311 H 24.681240422 39.940013156 64.167435742 H 25.290470724 38.386780136 54.393467964 H 25.176702707 37.945528695 52.836799089 H 27.541004864 42.518850606 61.993492516 H 26.760455629 43.456210714 61.011242194 H 26.532182893 37.429983297 56.644854847 H 27.708799422 40.349095034 61.965824285 H 29.026328295 40.985551123 61.349442766 H 26.917515713 34.818844714 54.688898929 H 26.571323368 36.271792341 54.073247145 H 31.161332952 30.100943223 64.341485049 H 29.598276457 32.548406523 65.397046587 H 30.669279695 32.720262463 64.009906954 H 29.373611581 30.661099034 62.955759536 H 28.125051790 31.005015317 64.163548959 H 37.586353826 31.389735037 62.185377947 H 36.610488467 33.194158748 60.883097070 H 35.300976496 32.118039888 61.386408786 H 34.733628009 33.770995353 63.268918614 H 36.085538449 34.790499810 62.742434513 H 34.040681067 35.744689772 61.874961142 H 34.994767788 35.115650373 60.496624563 H 31.195191430 36.059496635 59.621925451 H 32.856820328 36.326687146 60.026810504 H 30.175955331 34.014369861 60.010672002 H 31.094681260 32.719438529 60.709118571 H 24.120180879 44.681498883 63.460472174 H 23.830988999 45.918565995 64.421695999 H 29.863153623 30.034694357 60.089536360 H 28.705261536 30.605674325 60.938441067 H 26.576138834 28.984979704 55.543186138 H 25.801824624 30.226014502 54.831630238 H 29.051621610 39.578241711 59.286233983 H 25.879993270 32.758154962 55.409938080 H 28.665157525 30.577766329 56.371477251 H 33.412218994 32.987401979 60.998136979 H 27.289573431 36.236957524 55.960412458 H 25.111875329 32.843320903 62.461133176 H 20.028712288 34.024029688 60.901178508 H 31.737138977 38.526797367 59.147425468 H 30.531422483 39.849652353 57.351912231 H 31.906505379 40.959837936 57.241854437 H 31.431106908 42.831441504 58.258080109 H 30.568753498 42.975085710 59.768008904 H 33.169908981 39.566184989 58.953843979 C 32.279198048 39.175109982 58.438897026 C 31.369749320 40.282368750 57.928094708 C 30.778674888 41.068387046 59.079417949 N 30.928528047 42.381352975 59.019792046 O 30.184133303 40.513805800 60.044099654 H 32.627693091 38.545364951 57.601717219 N 22.486756182 39.035023898 54.471994517 C 23.022998984 40.393001954 54.533998950 H 22.255798008 41.057584020 54.872573027 C 23.479386408 40.851425593 53.133458923 C 24.633999013 41.823002097 53.204998919 C 25.938999011 41.365001969 52.987000123 C 24.432998990 43.206001919 53.490999039 C 27.012999015 42.258002002 53.019998975 C 25.548999021 44.110002047 53.555998991 C 26.827998987 43.625001985 53.334000009 H 23.805231156 39.972740060 52.544589875 H 22.622937697 41.292186962 52.589955504 H 26.118108324 40.306580747 52.757939546 H 23.413909788 43.588111103 53.638843808 H 28.028307828 41.885717547 52.834494346 H 25.371911668 45.170544135 53.775193591 H 27.695807439 44.295620982 53.369045030 H 21.044552013 36.869196014 54.393027018 C 21.594998959 36.938001962 55.307998973 C 21.967313703 38.390643861 55.548152600 O 21.799056451 38.970440941 56.643041326 C 22.757907420 35.921407442 55.216439199 C 23.560126592 35.850603191 56.518091941 C 22.196674291 34.543902647 54.827051734 H 20.914948880 36.639189214 56.127310930 H 23.443320393 36.253045701 54.409998469 H 22.912324026 35.557245176 57.365500066 H 24.022579310 36.820614386 56.764567693 H 24.372598475 35.107558371 56.430961683 H 21.470428899 34.186982137 55.582292690 H 23.004278969 33.794092955 54.759829780 H 21.678892145 34.574494857 53.850966396 H 23.862896567 40.418034545 55.253940048 H 22.614845099 38.507764667 53.608539118 H 20.945258982 27.056647004 52.914475995 C 21.601000026 26.282000004 53.311999999 C 23.004896327 26.338205552 52.702210084 C 23.742243884 27.656356539 52.933329768 N 23.898588859 27.991173867 54.391733602 H 21.269147736 33.536636847 49.267083846 C 21.496000623 33.330002488 50.313001228 H 22.064080724 34.150799702 50.750806946 C 22.291323574 32.009115189 50.399695506 C 22.663300841 31.671866616 51.835332115 N 21.729761280 31.017023992 52.558800549 O 23.773038188 32.024995746 52.311054103 Cl 21.839000698 30.339999778 55.765998958 H 20.536402181 33.251615659 50.855488578 H 20.834119905 30.774108091 52.140390353 H 21.840551180 30.841949278 53.571972323 H 21.700676658 31.184230321 49.959331794 H 23.230966447 32.092655482 49.826695684 H 23.116140389 28.572520134 54.765157804 H 24.836023243 28.549378230 54.551063493 H 23.957489763 27.140315624 54.968359457 H 22.953849787 26.180254084 51.608181085 H 23.622786325 25.507943164 53.099787173 H 21.127237501 25.306370260 53.102259732 H 21.623343556 26.395726666 54.411845325 H 24.757989168 27.613664691 52.504778212 H 23.213854121 28.506534576 52.468555443 H 23.558006989 50.082980544 59.010977912 H 25.566357227 33.851879800 58.153688810 H 26.659550683 35.032248099 57.891183088 A5 Mn 24.875459796 35.403851608 60.784772093 Mn 27.334656241 35.097093227 62.082094703 Mn 27.375460576 33.200574469 59.988821311 Mn 27.736757574 33.021731348 57.305033455 Ca 27.836481307 36.555229420 59.058368161 O 26.456005774 36.384444607 61.085142242 O 28.406142737 34.597646933 60.679386712 O 26.018728772 33.920309960 61.314527660 O 28.607790292 32.438486288 58.801388711 N 26.917776156 34.135616878 58.480726411 O 26.571262331 33.673989977 55.713076229 O 28.530529952 31.627014752 55.931709977 O 27.226574211 36.815031061 56.690104802 O 28.402569853 38.852525140 58.712208067 H 30.386279090 26.554955848 57.103005007 C 30.312281793 27.064948388 58.050496942 H 30.925319109 26.579769831 58.850733030 C 28.840033180 27.339974589 58.372917195 C 28.231441564 28.273222550 57.314408262 O 28.948306249 29.283727592 56.956826342 O 27.081378061 28.021076135 56.841406065 H 33.765458897 42.205888981 52.647136063 C 33.048045152 41.804450033 53.345645872 H 33.479305962 40.971405979 53.939090049 C 31.730440502 41.403884989 52.662238855 C 30.637459414 41.165418767 53.683949666 C 30.240072619 42.215425092 54.542242951 C 30.034913606 39.905043457 53.872375927 C 29.295118410 42.019210403 55.554586351 C 29.075343879 39.694282825 54.878168891 C 28.693164538 40.748757737 55.740736243 O 27.781163770 40.541913660 56.729477295 H 33.875560999 32.213250007 54.592799993 C 32.897071002 31.686965979 54.550601989 C 31.721206188 32.623222159 54.425900048 O 30.581293549 32.196436385 54.138515226 C 32.754225136 30.751878366 55.768685603 O 32.802079575 31.490002725 56.993538553 N 31.967929560 33.948313375 54.636943759 C 30.924183010 34.954304006 54.514782018 C 30.992305779 35.769225189 53.213469050 O 30.084655133 36.598373179 52.968493551 C 30.766337349 35.805413170 55.784125914 C 29.898438440 35.188664970 56.896334412 O 29.151192626 34.195966844 56.550948505 O 29.922741614 35.728715158 58.036554802 N 32.000884818 35.474981421 52.367686502 C 32.064646935 35.924468013 50.969467986 C 30.860047084 35.427152952 50.158323019 H 21.689022988 40.969417003 58.988049982 C 22.547088016 41.319580994 59.569561017 C 22.854561461 42.796841887 59.480563744 O 23.544445621 43.358751722 60.366226880 C 23.738185381 40.416027515 59.247979838 C 23.200081597 38.993972428 59.385828894 C 24.233240477 37.916990095 59.497849582 O 25.250773193 37.877496692 58.743609122 O 23.932520227 37.034195964 60.396303735 N 22.384390721 43.492400350 58.412069054 C 22.797167006 44.863986002 58.165328001 H 21.965681992 45.497422006 57.900025002 C 23.858751375 44.998670939 57.043256024 C 25.112722725 44.232377827 57.306265534 C 25.455424658 42.939528149 56.952813639 N 26.177015848 44.704536209 58.060693143 C 27.112425394 43.737130125 58.152778969 N 26.689954837 42.652936202 57.491352445 H 25.248242036 49.914023014 59.570440022 C 24.423093961 49.401850984 59.075555979 C 24.090597003 48.168950572 59.931272033 C 25.304924500 47.261812052 60.085014011 N 25.461885966 46.584867219 61.234592121 O 26.136357484 47.151237195 59.138898906 H 19.270630885 31.358207966 59.579210073 C 20.170241186 31.259410096 58.971131902 C 21.206378233 30.466463587 59.779045995 O 21.342202540 30.628204413 61.014854944 C 20.638539025 32.641460779 58.475277026 C 21.431079020 33.415104116 59.467297785 C 22.798856215 33.532681259 59.571030735 N 20.923534349 34.167290410 60.519871897 C 21.956352312 34.721836645 61.200101273 N 23.113397156 34.354854452 60.634965955 N 21.945812751 29.571364402 59.070589222 C 23.024831277 28.754786339 59.656503085 H 22.650573858 28.351390755 60.618668957 C 24.333101473 29.542834377 59.822998447 C 24.895874885 30.029591499 58.478564612 C 25.868445143 31.189321526 58.566268681 O 26.121534856 31.696443214 59.708183899 O 26.375344324 31.608388169 57.463800698 H 25.342342952 28.901556951 65.956376118 C 25.430583117 29.593704205 66.782122689 H 25.235583948 29.098262872 67.755773141 C 24.432760427 30.766557127 66.591905289 C 24.390667892 31.318536011 65.194569744 C 25.196163051 32.217496004 64.516871047 N 23.439996314 30.918773317 64.258754735 C 23.643073762 31.533096862 63.077363057 N 24.715734438 32.323478843 63.220792653 H 24.889819968 37.055719056 67.047362004 C 25.452204012 36.885365882 66.121680995 C 26.282256523 38.165965232 65.917358457 O 25.804260486 39.198770629 65.409022963 C 24.452269969 36.579339879 65.017416557 C 25.006530306 35.920526465 63.763282441 O 26.261754111 35.627060483 63.723009091 O 24.177561764 35.691147569 62.838353048 N 27.567504623 38.137968975 66.389163283 C 28.490866985 39.280094014 66.368273957 C 29.481423672 39.322961274 65.188255751 O 30.266981120 40.279627382 65.070527694 H 29.083429024 39.257538993 67.291201046 N 29.422736557 38.263189078 64.352879963 C 30.159589924 38.139234749 63.096680649 C 29.349305817 37.209332320 62.167197719 O 29.388544759 37.355724962 60.931726189 C 31.592969140 37.611972576 63.304174340 O 28.670666986 36.300309152 62.813463549 O 24.459110838 42.963827624 62.917244908 O 25.673030206 39.004910660 56.204165341 O 24.911204932 31.786742571 54.694573352 O 30.640275755 30.704345464 58.464426582 O 26.420003598 39.135606899 61.849936267 O 24.297481480 40.151105696 63.276377648 O 25.581692311 37.745644534 53.705539136 O 26.970017857 43.356152919 61.950003412 O 28.290312109 41.079162457 61.999227835 O 27.502651506 35.831600417 54.113376275 H 30.699472103 30.376337057 66.032444130 C 31.018905729 30.890757863 65.104315686 H 31.997506149 31.360958065 65.227864137 C 30.067893411 31.979506692 64.579814952 C 28.822114278 31.436855346 63.849231857 C 28.251953019 32.432928890 62.850987220 O 28.025005160 33.629789323 63.266144266 O 28.032673673 32.041377104 61.657835095 H 36.469286995 31.575154007 63.532724004 C 36.987893005 32.139354989 62.737354986 H 37.705291000 32.836251003 63.183208999 C 36.046777648 32.837432329 61.747861059 C 35.373568111 34.103513115 62.300254377 C 34.457594966 34.809035547 61.291924084 N 33.261626150 33.996699088 61.024017348 C 32.129776898 34.467020918 60.484873664 N 32.032931657 35.748178342 60.087179562 N 31.068681262 33.649706330 60.358606089 O 23.991894992 45.671523015 63.479741940 O 29.238869013 29.787565011 60.815742054 O 26.183288589 29.288260977 54.691338775 H 30.819903974 28.033638786 57.892700695 H 28.239499097 26.414746699 58.422937115 H 28.744267530 27.857570646 59.348659805 H 32.856948593 42.620674231 54.068070725 H 31.872323837 40.499094551 52.041781183 H 31.425610484 42.213562621 51.968517205 H 30.683816448 43.213505720 54.418643842 H 30.319423154 39.060669863 53.229586215 H 29.013839345 42.855120325 56.204415990 H 28.619344035 38.705139504 55.010836841 H 27.277523771 41.663570336 57.207782624 H 32.908071180 31.059848875 53.638449025 H 33.580699847 30.010947581 55.732736231 H 31.802443703 30.190968295 55.684069123 H 32.018829796 31.204527018 57.551173734 H 32.892144725 34.221928085 54.973930452 H 29.989300771 34.369943081 54.398986433 H 30.265498935 36.757488162 55.520862684 H 31.745653166 36.081665643 56.216121266 H 32.635577176 34.731278546 52.659706712 H 32.104904863 37.029878176 50.957093630 H 33.015970798 35.553383777 50.554715729 H 29.911739095 35.736875123 50.625164976 H 30.878805959 34.326456044 50.066354005 H 30.895322714 35.850024968 49.137963403 H 22.271752533 41.143978985 60.627847060 H 24.570072575 40.601561194 59.951320509 H 24.114717289 40.602530415 58.226238859 H 22.572455190 38.755292906 58.502156826 H 22.549025093 38.922071184 60.273950519 H 21.865136324 42.987366179 57.693985243 H 23.210166453 45.233872180 59.117602418 H 23.428542555 44.643560451 56.089208907 H 24.082329593 46.073893330 56.914105694 H 24.921304966 42.219887841 56.334020586 H 26.245906701 45.665444287 58.502857293 H 28.066842390 43.839575149 58.670763475 H 24.739377252 49.119994730 58.058546666 H 23.290366278 47.564356909 59.459594147 H 23.710724398 48.462895090 60.926546064 H 26.253150500 45.943206688 61.308157528 H 24.779747924 46.540172487 62.010333029 H 19.876817219 30.673682980 58.080162657 H 19.755230982 33.218161938 58.143031134 H 21.274842339 32.494715423 57.585054864 H 23.559902661 33.113484108 58.918150293 H 21.848660114 35.388792588 62.054977783 H 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53.311999999 C 23.015713425 26.369214115 52.730541625 C 23.719358209 27.706151223 52.962819124 N 23.874077337 28.050823198 54.418876239 H 21.269147655 33.536636759 49.267083983 C 21.496000818 33.330002610 50.313000948 H 22.064080608 34.150799680 50.750807071 C 22.301839026 32.015060675 50.402112345 C 22.719372680 31.706552154 51.833033212 N 21.801870208 31.086548283 52.603792952 O 23.852243334 32.050542214 52.258894843 Cl 21.839000713 30.339999793 55.765999014 H 20.538416946 33.248142855 50.858218114 H 20.889322689 30.848849472 52.220528243 H 21.942748782 30.920103653 53.616231687 H 21.705662382 31.177478967 49.994037069 H 23.224531385 32.094417875 49.801736615 H 23.094923217 28.642573241 54.791195911 H 24.817024964 28.601306692 54.572667126 H 23.929326638 27.205015239 55.002979479 H 22.988666752 26.204063743 51.636543862 H 23.645776282 25.555882221 53.143871726 H 21.144468203 25.303703718 53.078145275 H 21.601246673 26.380783440 54.413554102 H 24.734326985 27.687126206 52.530457740 H 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28.216452564 28.294903987 57.357994376 O 28.913754738 29.328988625 57.025515556 O 27.066434267 28.040903685 56.887592784 H 33.765458988 42.205889084 52.647136024 C 33.048045016 41.804449821 53.345645925 H 33.479305995 40.971406047 53.939090038 C 31.725409300 41.445858374 52.653470654 C 30.627212477 41.242252841 53.673134100 C 30.241176778 42.307381269 54.517077067 C 30.029934618 39.984340421 53.880935415 C 29.309120951 42.124658177 55.545400785 C 29.086187921 39.785756698 54.900868092 C 28.723344038 40.853635656 55.746329420 O 27.820486937 40.634656747 56.754778020 H 33.875560953 32.213250213 54.592800081 C 32.897071062 31.686965587 54.550601881 C 31.695861435 32.598079403 54.482836835 O 30.546759930 32.142159147 54.285993724 C 32.786596581 30.724506394 55.753657858 O 32.831456009 31.440151549 56.994726951 N 31.941556067 33.924098717 54.642956278 C 30.924182989 34.954304233 54.514782008 C 31.162102130 35.861207726 53.277189676 O 30.534232674 36.925243465 53.147803580 C 30.731223890 35.761220824 55.810333987 C 29.819046986 35.161118514 56.890321848 O 29.011307615 34.231618368 56.499881040 O 29.851639864 35.654834093 58.051516347 N 32.028023854 35.390667644 52.340193223 C 32.064646974 35.924468016 50.969468023 C 30.860047015 35.427152977 50.158322993 H 21.689022991 40.969416998 58.988049982 C 22.547088014 41.319580999 59.569561025 C 22.841700698 42.800116052 59.488398336 O 23.496483646 43.371494528 60.394002383 C 23.756666654 40.426773355 59.220925176 C 23.281880884 38.975109715 59.328704741 C 24.333585878 37.891353828 59.342767696 O 25.424503858 37.957551010 58.724850274 O 23.945073874 36.852980243 60.032121142 N 22.395768526 43.487422833 58.403914360 C 22.797167006 44.863986003 58.165327997 H 21.965681992 45.497422006 57.900025003 C 23.863981892 45.021275602 57.052046867 C 25.133487468 44.285753630 57.325814417 C 25.500127769 42.990845438 57.000685413 N 26.190965845 44.788765141 58.067791643 C 27.138465666 43.828711453 58.174835609 N 26.739740812 42.723605697 57.538469734 H 25.248242035 49.914023015 59.570440023 C 24.423093962 49.401850983 59.075555979 C 24.103191622 48.169881424 59.936766906 C 25.340882149 47.299501927 60.117639816 N 25.481914478 46.608887966 61.261556302 O 26.205169416 47.229597368 59.198417496 H 19.270630864 31.358207894 59.579210011 C 20.170241202 31.259410207 58.971132002 C 21.212942059 30.470863981 59.776355109 O 21.357822583 30.642152705 61.010077291 C 20.657094510 32.632097350 58.448102359 C 21.490795980 33.400991066 59.412382210 C 22.852783773 33.629076406 59.416210818 N 21.024329981 33.995070095 60.575967122 C 22.062717839 34.554531864 61.237446157 N 23.194025019 34.344358243 60.551209816 N 21.950857291 29.574901654 59.068758015 C 23.024831301 28.754786323 59.656503075 H 22.650573839 28.351390754 60.618668966 C 24.329916590 29.533042563 59.854844894 C 24.912442369 30.010169511 58.521362585 C 25.834619915 31.202537412 58.604876288 O 26.068815467 31.736511812 59.741548528 O 26.308137803 31.625292671 57.493159030 H 25.342342998 28.901556989 65.956376017 C 25.430583012 29.593704020 66.782122953 H 25.235583994 29.098262992 67.755773015 C 24.421362663 30.757909860 66.604628597 C 24.371970722 31.317153233 65.212315358 C 25.180175232 32.214233873 64.536420172 N 23.417746023 30.923721722 64.278003579 C 23.620441550 31.540234198 63.097915277 N 24.696461000 32.326271829 63.242615290 H 24.889819978 37.055719042 67.047361987 C 25.452204009 36.885365922 66.121681016 C 26.282001601 38.168317327 65.927562378 O 25.794036006 39.208225499 65.444568172 C 24.444849012 36.602809351 65.017635623 C 25.010417035 35.999436623 63.745688784 O 26.246176256 35.652440376 63.721926662 O 24.193795497 35.862572675 62.779945288 N 27.573623002 38.133001472 66.380154783 C 28.490867012 39.280094018 66.368273980 C 29.474843549 39.343229647 65.183336477 O 30.259201998 40.301549635 65.076321501 H 29.083428997 39.257538986 67.291201013 N 29.408084742 38.298667374 64.329108737 C 30.132983890 38.195724225 63.063579566 C 29.334161171 37.251917798 62.139193472 O 29.365925760 37.381516555 60.904379334 C 31.581475242 37.703663130 63.251758194 O 28.662954491 36.338430079 62.796354000 O 24.473232670 42.973017774 62.912246672 O 25.695256457 39.094863767 56.178252388 O 24.711834616 31.665482578 54.809081256 O 30.590327816 30.797837282 58.481793473 O 26.457693245 39.181663750 61.921596394 O 24.317506267 40.186145847 63.295132627 O 25.581692444 37.745645270 53.705538862 O 26.949863327 43.414822734 61.884805647 O 28.306581086 41.159738585 61.983189153 O 27.293982493 35.605941217 54.248474391 H 30.699471990 30.376337005 66.032444015 C 31.018906042 30.890757988 65.104315967 H 31.997505974 31.360958003 65.227864003 C 30.071534270 31.986838031 64.574994547 C 28.858541534 31.456485090 63.781751877 C 28.277359241 32.475077754 62.811047772 O 28.070015590 33.668807702 63.238219751 O 28.021686034 32.091125761 61.617255606 H 36.469287002 31.575153999 63.532723998 C 36.987892996 32.139355004 62.737355005 H 37.705291002 32.836250996 63.183208999 C 36.040266846 32.850131583 61.763269369 C 35.340073556 34.082641171 62.357573361 C 34.429863576 34.819911134 61.367652151 N 33.261625936 33.996698993 61.024016924 C 32.129777060 34.467021006 60.484874091 N 32.016429940 35.758454998 60.124886678 N 31.090551489 33.634807384 60.295939812 O 23.991894985 45.671523030 63.479741950 O 29.238869001 29.787564994 60.815742020 O 26.144325627 29.306607211 54.735070464 H 30.817724007 28.035623487 57.892313337 H 28.240555922 26.414339457 58.424119237 H 28.757563178 27.837786506 59.372362058 H 32.869872223 42.620888837 54.071818782 H 31.839298974 40.538018729 52.032255328 H 31.452318816 42.268301735 51.961915415 H 30.685220263 43.302697952 54.374476123 H 30.315188261 39.130181671 53.254618741 H 29.029740069 42.965705536 56.189012641 H 28.636066286 38.798592338 55.060887045 H 27.390708595 41.625621812 57.185058428 H 32.897697695 31.079029059 53.624909339 H 33.630523146 30.005553971 55.704054454 H 31.847904850 30.143394972 55.668360272 H 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61.107296440 O 28.381152064 34.648788126 60.688026351 O 26.027457295 33.950714004 61.441166642 O 28.471799739 32.577004552 58.768803635 N 26.621807387 34.239051764 58.638279758 O 26.336119058 33.759065487 55.874891016 O 28.352400798 31.743194245 55.936173616 O 27.433105968 36.973491379 56.623133743 O 28.365917248 38.881085207 58.794455049 H 30.386279088 26.554955845 57.103005013 C 30.312281786 27.064948356 58.050496934 H 30.925319111 26.579769836 58.850733033 C 28.842922056 27.349974919 58.380543906 C 28.220047416 28.296701558 57.337808052 O 28.903864272 29.330067577 56.993420133 O 27.070622393 28.025158525 56.866204498 H 33.765458896 42.205888979 52.647136059 C 33.048045151 41.804450032 53.345645873 H 33.479305962 40.971405978 53.939090050 C 31.724014793 41.436865574 52.659579451 C 30.627916407 41.226204606 53.681780414 C 30.237664133 42.288769880 54.526928720 C 30.029932296 39.967168082 53.885045160 C 29.299941021 42.103762714 55.550004910 C 29.080502883 39.765392659 54.899792005 C 28.714161745 40.832392217 55.743508873 O 27.804950099 40.607427763 56.748414508 H 33.875560999 32.213250008 54.592799996 C 32.897071000 31.686965979 54.550601982 C 31.699058378 32.601148863 54.449015544 O 30.558219960 32.152589793 54.204505221 C 32.761349966 30.751153510 55.774150029 O 32.778421701 31.489295716 57.000694778 N 31.942031304 33.925238894 54.642849682 C 30.924183007 34.954304005 54.514782019 C 31.148497487 35.851665879 53.268530746 O 30.501821972 36.902846839 53.123658228 C 30.741610813 35.774921630 55.801192976 C 29.805017371 35.215718312 56.883518742 O 28.928611371 34.353591805 56.525672284 O 29.900959551 35.719547584 58.047389122 N 32.030222801 35.392618311 52.340028785 C 32.064646936 35.924468012 50.969467989 C 30.860047085 35.427152950 50.158323018 H 21.689022988 40.969417002 58.988049982 C 22.547088017 41.319580995 59.569561017 C 22.852333723 42.796297591 59.478659221 O 23.526376737 43.366367410 60.371366921 C 23.748345616 40.410993686 59.230505132 C 23.263842040 38.963423162 59.352828793 C 24.312018590 37.871759995 59.323858456 O 25.374140504 37.937184275 58.656225571 O 23.959085691 36.839013982 60.033561613 N 22.391374768 43.488640914 58.404192779 C 22.797167006 44.863986002 58.165328001 H 21.965681992 45.497422006 57.900025001 C 23.860220589 45.015338572 57.046521650 C 25.132911218 44.284870446 57.320464591 C 25.499002174 42.981442913 57.026897464 N 26.197249932 44.807165003 58.037955938 C 27.145651159 43.847101777 58.160352472 N 26.744396507 42.724649695 57.557951912 H 25.248242035 49.914023015 59.570440023 C 24.423093962 49.401850984 59.075555979 C 24.116739175 48.159264645 59.926248243 C 25.361519088 47.295456713 60.096890992 N 25.493320865 46.572168634 61.222224022 O 26.237271825 47.258081077 59.187371952 H 19.270630885 31.358207968 59.579210072 C 20.170241188 31.259410096 58.971131899 C 21.210244950 30.467246617 59.780043785 O 21.344563728 30.630406669 61.016079345 C 20.676016938 32.611620485 58.410684782 C 21.542120941 33.377588763 59.349883237 C 22.900758959 33.633935298 59.314853655 N 21.102137477 33.919023705 60.549159884 C 22.152812233 34.469435998 61.198891398 N 23.262319772 34.307491329 60.468832483 N 21.952717818 29.577397695 59.070897390 C 23.024831274 28.754786335 59.656503085 H 22.650573859 28.351390753 60.618668956 C 24.330687030 29.524139915 59.860168391 C 24.910867724 30.010065816 58.531323157 C 25.806626928 31.222670327 58.628195477 O 26.091230417 31.701951006 59.775518972 O 26.213791419 31.701595366 57.514750144 H 25.342342952 28.901556950 65.956376118 C 25.430583118 29.593704207 66.782122683 H 25.235583947 29.098262871 67.755773141 C 24.431448369 30.765604864 66.599953856 C 24.406992344 31.340273591 65.212607878 C 25.211994311 32.262723475 64.566547197 N 23.485333104 30.937687469 64.249955088 C 23.707803346 31.574224056 63.083112222 N 24.761561097 32.381180488 63.261817144 H 24.889819968 37.055719055 67.047362005 C 25.452204017 36.885365884 66.121680998 C 26.283771721 38.166639434 65.924933425 O 25.797614432 39.208445699 65.442966195 C 24.445087326 36.601333584 65.012536148 C 25.016477270 35.987347764 63.741887674 O 26.262099847 35.671099964 63.737773928 O 24.209116112 35.816430326 62.777491343 N 27.576333955 38.131497483 66.376021917 C 28.490866985 39.280094014 66.368273958 C 29.490921262 39.346735262 65.195612018 O 30.258027990 40.320320480 65.091266073 H 29.083429023 39.257538994 67.291201046 N 29.463945793 38.287318578 64.359537590 C 30.189552787 38.182100406 63.093809635 C 29.375521021 37.248732654 62.168800981 O 29.412672967 37.383844406 60.934580242 C 31.629219199 37.662007363 63.272681400 O 28.697818158 36.345551999 62.828451669 O 24.516354044 42.991650153 62.860091287 O 25.630481884 39.079016725 56.166915332 O 24.664304659 31.637243261 54.828161083 O 30.529055225 30.856085039 58.454006001 O 26.400740635 39.170734800 61.854201235 O 24.297984947 40.194578179 63.313054096 O 25.581692373 37.745644560 53.705539110 O 27.013161895 43.376647388 61.859807309 O 28.294684823 41.087906749 62.015054470 O 27.246736804 35.592686400 54.286328035 H 30.699472104 30.376337059 66.032444131 C 31.018905729 30.890757864 65.104315687 H 31.997506149 31.360958061 65.227864138 C 30.074414809 31.990433351 64.596920984 C 28.806867170 31.468149297 63.892729131 C 28.261440076 32.464241558 62.879429596 O 28.057486521 33.670828558 63.295218024 O 28.051135053 32.072535221 61.690998393 H 36.469286995 31.575154008 63.532724004 C 36.987893004 32.139354989 62.737354986 H 37.705291000 32.836251003 63.183208999 C 36.057335391 32.812509277 61.719877524 C 35.433853018 34.132910672 62.196645351 C 34.498342983 34.783760519 61.171059091 N 33.261626145 33.996699083 61.024017344 C 32.129776900 34.467020922 60.484873661 N 32.124005635 35.602583842 59.762950936 N 30.991182406 33.772475041 60.644868523 O 23.991894992 45.671523017 63.479741941 O 29.238868999 29.787564870 60.815741995 O 26.205340656 29.327843701 54.720276919 H 30.819413156 28.035166631 57.890508469 H 28.237665079 26.427551297 58.429962076 H 28.759470954 27.860616810 59.360905884 H 32.868562298 42.620750859 54.071704623 H 31.841760198 40.529038321 52.039039806 H 31.442099467 42.256239919 51.967782760 H 30.681076605 43.284987362 54.388705889 H 30.316948095 39.113618317 53.258355282 H 29.016703149 42.942700047 56.194398928 H 28.628511454 38.778217525 55.055923103 H 27.413483405 41.562332542 57.172277318 H 32.907546397 31.057848935 53.639569509 H 33.606092292 30.030868889 55.756103993 H 31.824611047 30.168097885 55.678498688 H 31.944173328 31.274200535 57.515028584 H 32.884574170 34.204413230 54.917472908 H 29.973191445 34.422998567 54.310600458 H 30.292697529 36.748037185 55.521597444 H 31.716335868 36.006230150 56.268673443 H 32.440362925 34.472791685 52.500043763 H 32.067249911 37.026810074 51.030968313 H 33.018715954 35.608151117 50.514319442 H 29.913971529 35.726066834 50.640970048 H 30.878805962 34.326456043 50.066354003 H 30.875598583 35.854511338 49.138844895 H 22.279256733 41.136839416 60.628476349 H 24.585765587 40.606833750 59.924607912 H 24.112355245 40.614839925 58.207534268 H 22.559467398 38.747375025 58.522098691 H 22.693909603 38.835405446 60.290239139 H 21.890160060 42.978958342 57.676610234 H 23.205507771 45.230739202 59.120697073 H 23.439846160 44.644752276 56.093507225 H 24.054572221 46.095609028 56.910038749 H 24.959246070 42.231983242 56.447114247 H 26.266530360 45.774671348 58.443720277 H 28.103386869 43.998993651 58.661620790 H 24.735653216 49.132477976 58.054174134 H 23.342441746 47.527702943 59.446945534 H 23.714876922 48.440104394 60.917001013 H 26.302019443 45.952173158 61.295894751 H 24.788397879 46.477007090 61.976635541 H 19.859638633 30.651157904 58.100176320 H 19.802705886 33.215717624 58.099003847 H 21.269969577 32.420451564 57.499528085 H 23.630184892 33.397728184 58.538325885 H 22.094405671 34.991760568 62.153637536 H 21.848278306 29.573883432 58.044020899 H 23.175605551 27.897588780 58.975873626 H 24.136606581 30.385260810 60.520476879 H 25.056218955 28.879665350 60.390530327 H 25.496893507 29.216887226 58.024842445 H 24.106523768 30.282456231 57.819495698 H 26.469459800 29.968581199 66.791070665 H 23.408448968 30.423575923 66.845477757 H 24.665548533 31.576244571 67.313439268 H 26.057455907 32.846644447 64.930104035 H 22.731998990 30.264055798 64.397565004 H 23.101378958 31.444907249 62.180227662 H 26.111106339 36.018076795 66.297463497 H 23.665801522 35.908017231 65.381414026 H 23.911829493 37.525355145 64.721946064 H 27.908201765 37.264035584 66.797850537 H 27.897282513 40.209763998 66.352703884 H 28.763527806 37.557713725 64.515745217 H 30.212861725 39.179904279 62.619776870 H 31.627699441 36.662575503 63.742092645 H 32.198458715 38.355252323 63.914913992 H 32.135268136 37.596932836 62.294014900 H 24.053109986 42.998884829 61.971660198 H 25.480175368 43.105959639 62.581361380 H 26.386509568 39.714599359 56.318806324 H 25.379709204 38.787445508 57.088410101 H 28.176453770 39.503938599 58.044985818 H 23.884952209 31.265668656 55.308366673 H 24.295555793 31.842073430 53.915065791 H 29.854001178 31.596635531 58.566689851 H 29.999842737 30.182015924 57.918996919 H 29.169353315 31.984117255 55.432939713 H 25.565037034 39.440375525 62.333101920 H 26.350302916 38.198595148 61.659540975 H 24.396308350 41.185615680 63.260810733 H 24.710339580 39.928463494 64.171711164 H 25.345135281 38.423151351 54.381762453 H 25.176702480 37.945529296 52.836799072 H 27.530025467 42.495344197 61.913032666 H 26.780308890 43.443991202 60.913450764 H 26.803158412 37.691664009 56.358336415 H 27.655602156 40.317700042 61.925769093 H 28.974461436 40.955233544 61.305933936 H 26.516496865 36.199848603 54.016603912 H 31.144647992 30.108850021 64.330742632 H 29.799657000 32.683348088 65.413717289 H 30.641259043 32.603027190 63.869047062 H 29.025420959 30.532819263 63.349211422 H 28.009455211 31.239561374 64.625961956 H 37.600526294 31.378767198 62.214526508 H 36.629233074 33.022715941 60.793782145 H 35.264981825 32.097038665 61.422990271 H 34.882852090 33.988366972 63.148795693 H 36.239863478 34.858391936 62.418115311 H 34.238804085 35.808582204 61.501751892 H 35.008047780 34.863645815 60.189631934 H 31.323111876 35.768882765 59.119109462 H 33.011384752 36.028477895 59.509431698 H 30.043581447 34.197145742 60.511351293 H 31.009438208 32.946136848 61.237755302 H 24.143017648 44.689254746 63.341156437 H 24.450118610 45.864931415 64.319165265 H 29.815616775 30.061530365 60.061860387 H 28.770998697 30.619981258 61.077062382 H 26.607142741 28.993100539 55.593153666 H 25.831136697 30.241430722 54.869992577 H 29.042386113 39.336153329 59.359248633 H 25.773103569 33.001940323 55.571029532 H 28.486293874 30.808596787 56.286523062 H 33.148917750 33.223179228 61.678769067 H 27.423420221 36.356739706 55.830393996 H 25.220983777 32.993603162 62.509144378 H 20.148149855 33.877382306 60.906958288 H 31.728460166 38.494602928 59.109285997 H 30.544798949 39.855091435 57.338547957 H 31.920097743 40.966583402 57.252011352 H 31.430886123 42.832862299 58.259570275 H 30.548102363 42.972250291 59.759229541 H 33.141142794 39.581530150 58.999209577 C 32.279198089 39.175110038 58.438897091 C 31.375582982 40.285223565 57.928481130 C 30.769861518 41.058004102 59.070256665 N 30.928528077 42.381353029 59.019792084 O 30.160764296 40.503559515 60.020579779 H 32.674244426 38.579034188 57.597962904 N 22.501988207 39.019177081 54.453883528 C 23.033475489 40.375487762 54.516162352 H 22.255797927 41.057584095 54.872572875 C 23.479369746 40.853473223 53.134004785 C 24.623773778 41.839798507 53.198820109 C 25.938998983 41.365002068 52.986999907 C 24.432998952 43.206001922 53.490999002 C 27.012999006 42.258002003 53.019998945 C 25.548999049 44.110002069 53.555998929 C 26.827998989 43.625001958 53.334000139 H 23.804007120 39.974770681 52.544382979 H 22.617512444 41.285198127 52.590293824 H 26.111875601 40.305121323 52.762274062 H 23.416139049 43.592885885 53.644315271 H 28.029046413 41.885055321 52.838922553 H 25.372548377 45.169337294 53.781158655 H 27.696249685 44.294936347 53.372259906 H 21.515010184 36.465992857 56.304670971 C 21.594999221 36.938002152 55.307998933 C 21.952391688 38.395073433 55.528281809 O 21.702139859 39.007695313 56.588711141 C 20.266312293 36.722519738 54.529767504 C 20.017772083 35.218523222 54.322349628 C 19.067731850 37.392742539 55.222544186 H 22.415715743 36.428776341 54.767785454 H 20.387529321 37.188313225 53.529223138 H 19.888068754 34.704267736 55.293906332 H 20.861214341 34.735399355 53.796508183 H 19.102161433 35.047873746 53.726648302 H 18.912434937 36.971614699 56.234621913 H 18.140306253 37.228105846 54.643415449 H 19.207410222 38.483134083 55.331497952 H 23.875213916 40.398316190 55.235160744 H 22.763361820 38.444606558 53.652839340 H 20.966114642 27.113806738 52.954313327 C 21.601000033 26.281999999 53.312000000 C 23.015713427 26.369214114 52.730541622 C 23.796090236 27.643362712 53.037829335 N 24.058252151 27.845093181 54.497955246 H 21.274831237 33.579596800 49.260780802 C 21.496000817 33.330002616 50.313000945 H 22.064080616 34.150799679 50.750807074 C 22.301839024 32.015060678 50.402112344 C 22.667928144 31.692078096 51.844416969 N 21.822438900 30.879463893 52.519221643 O 23.688961968 32.198435638 52.369407474 Cl 21.966330160 29.927569053 55.737793873 H 20.538416943 33.248142857 50.858218113 H 20.997572043 30.497208952 52.062477741 H 21.946159714 30.672488118 53.523206698 H 21.725807438 31.183769045 49.955175150 H 23.246487562 32.111137002 49.838488893 H 23.266332290 28.338201412 54.977931838 H 24.958585687 28.480220936 54.628579929 H 24.234330500 26.954029603 54.981690978 H 22.968773565 26.281668470 51.627649282 H 23.614403052 25.499339357 53.070506001 H 21.115991182 25.335752867 53.013757546 H 21.602407339 26.316954527 54.417259490 H 24.778715822 27.616343307 52.535973014 H 23.263750779 28.543856736 52.683872124 H 23.551194714 50.075361618 59.022281767 H 26.823703449 34.817970605 54.797075403 A9 Mn 24.924465532 35.410498374 60.809431036 Mn 27.366071649 35.145862061 62.092001152 Mn 27.302578514 33.272597076 59.996077437 Mn 27.556351259 33.172652198 57.326483980 Ca 27.760225454 36.598329065 58.997959347 O 26.453377286 36.428008677 61.085640888 O 28.379186078 34.655183585 60.659261366 O 26.026959892 33.956269309 61.407144235 O 28.502896051 32.573527859 58.763241709 N 26.681314023 34.223186969 58.562095925 O 26.402280246 33.786935055 55.722659255 O 28.401856009 31.738595791 55.948318406 O 27.375464159 36.915561976 56.576229271 O 28.395956409 38.887489952 58.726019489 H 30.386279102 26.554955824 57.103005008 C 30.312281764 27.064948432 58.050496949 H 30.925319120 26.579769807 58.850733031 C 28.841552396 27.352466867 58.376637943 C 28.214780472 28.298869180 57.335510697 O 28.896181235 29.337694718 56.993048251 O 27.066291762 28.027375504 56.864928670 H 33.765458906 42.205888974 52.647136065 C 33.048045147 41.804450050 53.345645856 H 33.479305965 40.971405971 53.939090055 C 31.734535126 41.410430971 52.652181665 C 30.638056380 41.185488729 53.670578669 C 30.243203243 42.246859198 54.515744140 C 30.042613570 39.925400620 53.878153538 C 29.306939063 42.061374880 55.537711452 C 29.091699218 39.725120701 54.893144307 C 28.714100797 40.790571337 55.743163594 O 27.809028202 40.590122310 56.739774524 H 33.875560998 32.213250009 54.592799993 C 32.897071001 31.686965980 54.550601989 C 31.715063088 32.620579215 54.449246452 O 30.567429665 32.188645045 54.206125414 C 32.757591749 30.748225357 55.768454772 O 32.784974634 31.485670421 56.995336054 N 31.967598161 33.948839533 54.636012564 C 30.924183031 34.954304004 54.514782011 C 30.993714981 35.770040616 53.213638924 O 30.089533312 36.602371644 52.968299975 C 30.756549257 35.806607348 55.786830877 C 29.830684067 35.243655371 56.885063495 O 28.984487170 34.338153596 56.527720107 O 29.899771612 35.760560853 58.035429232 N 32.001527674 35.473177019 52.367202786 C 32.064646951 35.924467999 50.969467979 C 30.860047078 35.427152954 50.158323028 H 21.689022988 40.969417001 58.988049983 C 22.547088019 41.319580997 59.569561015 C 22.853683396 42.796662916 59.484067201 O 23.533537209 43.361022579 60.375530088 C 23.749271000 40.414110403 59.218889115 C 23.268633406 38.963504153 59.327656891 C 24.317624282 37.872188676 59.296374012 O 25.391817388 37.948521602 58.649729521 O 23.951528071 36.824843076 59.981633766 N 22.390083661 43.489966691 58.410466024 C 22.797167007 44.863986001 58.165327995 H 21.965681992 45.497422006 57.900025001 C 23.857774892 45.007860950 57.043753602 C 25.119798544 44.255750876 57.307350692 C 25.474960902 42.965199810 56.958008984 N 26.180632719 44.740928273 58.058401797 C 27.125367630 43.782476722 58.152238754 N 26.712921660 42.692275771 57.495485355 H 25.248242035 49.914023015 59.570440023 C 24.423093961 49.401850985 59.075555980 C 24.093875388 48.170090376 59.934023383 C 25.316120867 47.275531656 60.098473105 N 25.467810245 46.595349857 61.246683662 O 26.159577988 47.177856509 59.161589134 H 19.270630865 31.358207988 59.579210105 C 20.170241213 31.259410068 58.971131858 C 21.201220378 30.456106614 59.778227977 O 21.338695613 30.617956967 61.013868650 C 20.685214391 32.625506626 58.463184699 C 21.529687743 33.373875785 59.434272059 C 22.894890136 33.589250049 59.444272048 N 21.061327903 33.983586704 60.589198158 C 22.100607915 34.543060498 61.249894775 N 23.232236098 34.316217383 60.570937825 N 21.940863954 29.562908695 59.068680844 C 23.024831275 28.754786353 59.656503086 H 22.650573860 28.351390747 60.618668955 C 24.322215408 29.552771898 59.838388249 C 24.887174981 30.049207874 58.500979296 C 25.807212119 31.247406365 58.595699278 O 26.088111621 31.726357436 59.742969360 O 26.248314071 31.720743372 57.486467670 H 25.342342944 28.901556941 65.956376123 C 25.430583133 29.593704230 66.782122667 H 25.235583940 29.098262859 67.755773151 C 24.427584117 30.762807904 66.602312331 C 24.390500022 31.328782016 65.212033385 C 25.196539385 32.238416327 64.549844948 N 23.452152775 30.929283046 64.264367656 C 23.663427288 31.554107473 63.089991193 N 24.728559188 32.351268515 63.250460776 H 24.889819959 37.055719057 67.047362007 C 25.452204022 36.885365882 66.121680986 C 26.285967008 38.164821500 65.921603923 O 25.803793518 39.202736726 65.427542437 C 24.448469329 36.601530828 65.012772971 C 25.022024320 36.009445432 63.735684710 O 26.261284919 35.671154419 63.721737335 O 24.212847321 35.872390262 62.765946107 N 27.576307120 38.131094605 66.378072621 C 28.490866984 39.280094014 66.368273956 C 29.479762224 39.351508230 65.187621727 O 30.253249874 40.319526637 65.083765717 H 29.083429024 39.257538994 67.291201047 N 29.430637174 38.304638553 64.336216154 C 30.157513985 38.206599921 63.070995468 C 29.353634863 37.268434522 62.143239584 O 29.380513435 37.405857986 60.908897122 C 31.602913321 37.705323556 63.257935915 O 28.687597848 36.353607559 62.801233918 O 24.460419458 42.967248574 62.920733381 O 25.717091445 39.082089383 56.125267915 O 24.850517415 31.807454725 54.721863217 O 30.560495313 30.799158328 58.449612923 O 26.396419037 39.185522246 61.841401877 O 24.290375635 40.167733725 63.303302330 O 25.581691383 37.745644487 53.705539441 O 26.964585460 43.377976664 61.947022434 O 28.290261661 41.104870684 61.997437361 O 27.471579745 35.815011530 54.041631219 H 30.699472109 30.376337057 66.032444149 C 31.018905708 30.890757858 65.104315654 H 31.997506161 31.360958070 65.227864153 C 30.076847999 31.992727932 64.587108317 C 28.831550697 31.472550768 63.841218535 C 28.277324692 32.477707057 62.840689994 O 28.072564587 33.681238425 63.259348951 O 28.047772125 32.088329264 61.651351141 H 36.469286995 31.575154007 63.532724004 C 36.987893005 32.139354989 62.737354986 H 37.705291000 32.836251003 63.183208999 C 36.046183141 32.838651528 61.749080318 C 35.371215085 34.102808069 62.304165642 C 34.455450866 34.810446445 61.297025090 N 33.261626149 33.996699104 61.024017370 C 32.129776912 34.467020906 60.484873642 N 32.031569734 35.746847538 60.082121993 N 31.064966627 33.653164392 60.360116308 O 23.991894991 45.671523017 63.479741937 O 29.238869013 29.787565012 60.815742052 O 26.155734937 29.319265783 54.733684316 H 30.822979800 28.033263711 57.890046445 H 28.235978055 26.430401533 58.425008849 H 28.755982070 27.862121634 59.357450172 H 32.855449410 42.620574227 54.067512090 H 31.874392751 40.502271989 52.036295070 H 31.440855256 42.220356000 51.954096865 H 30.684097833 43.243943578 54.375193176 H 30.328058494 39.074033844 53.244965791 H 29.025439790 42.904001822 56.178774319 H 28.642031719 38.736594908 55.047241199 H 27.309985053 41.699535758 57.210247085 H 32.901871891 31.065319813 53.634636106 H 33.595596829 30.020526059 55.742989862 H 31.815337598 30.173641009 55.675134875 H 31.970654863 31.240609346 57.525968168 H 32.899820865 34.226696787 54.946213002 H 29.988896323 34.369868140 54.396390151 H 30.303448767 36.778388708 55.509422187 H 31.733705161 36.043405437 56.245743465 H 32.631025065 34.723736320 52.655703327 H 32.103817002 37.029895644 50.958821615 H 33.016118733 35.554732304 50.553814993 H 29.911754458 35.736550574 50.625417462 H 30.878805965 34.326456042 50.066354000 H 30.894833418 35.850001592 49.137914797 H 22.284688666 41.130259484 60.628523531 H 24.588189120 40.604229106 59.912703726 H 24.110251349 40.628339657 58.196615035 H 22.563890213 38.751819993 58.495674830 H 22.695761567 38.826979769 60.262147744 H 21.878101915 42.982077613 57.689117005 H 23.208356502 45.233789778 59.118479511 H 23.431291837 44.648225353 56.089662113 H 24.069679505 46.085395001 56.913899266 H 24.947357840 42.238152317 56.342016414 H 26.244615145 45.701042558 58.501077048 H 28.078996196 43.896269343 58.669354155 H 24.739790335 49.119166050 58.058978884 H 23.301482078 47.556785598 59.460435010 H 23.705852768 48.464816458 60.925958395 H 26.265837328 45.962738947 61.325994073 H 24.780005395 46.542389331 62.017001842 H 19.871540288 30.676806637 58.079918151 H 19.819437328 33.237952978 58.147191376 H 21.297050179 32.451014560 57.561055601 H 23.642323871 33.295339320 58.707455695 H 22.018233069 35.114810419 62.173905742 H 21.839481420 29.577356312 58.042991691 H 23.184776811 27.895618185 58.980482146 H 24.117784941 30.412470171 60.497430153 H 25.067368043 28.925481749 60.361986883 H 25.455671500 29.253510105 57.978521433 H 24.075182371 30.340555642 57.804743865 H 26.468571957 29.970762375 66.791003850 H 23.407399812 30.419858311 66.857549762 H 24.665533895 31.577838461 67.309442005 H 26.051289497 32.817432064 64.899193778 H 22.693510502 30.265068725 64.428199715 H 23.043847303 31.423074203 62.195589243 H 26.110768577 36.018052109 66.299739542 H 23.679553983 35.892751629 65.374477293 H 23.901274336 37.520417855 64.732703182 H 27.904579137 37.267858263 66.811362053 H 27.896170132 40.209439498 66.357364996 H 28.735801922 37.572103949 64.499899091 H 30.171082609 39.204612854 62.596828893 H 31.612247235 36.703228894 63.721487221 H 32.152680907 38.404252598 63.910686348 H 32.120055646 37.654034538 62.284941230 H 24.014076654 43.001280316 62.026186765 H 25.428903739 43.089545434 62.663488527 H 26.489157943 39.711834600 56.306929029 H 25.410114129 38.818889528 57.034502022 H 28.196277893 39.532249778 57.986999032 H 24.075574098 31.588873681 55.290274560 H 24.445979495 31.889973387 53.795214285 H 29.918434978 31.560166656 58.546329824 H 30.012459688 30.139890367 57.909468700 H 29.222630160 31.960823802 55.439679024 H 25.559226107 39.458382084 62.319417706 H 26.332938771 38.219079836 61.631844860 H 24.363502008 41.162515634 63.267720497 H 24.704292457 39.900202890 64.161201972 H 25.412451205 38.453363168 54.374119266 H 25.176703404 37.945529435 52.836798666 H 27.502609079 42.509712296 61.963665833 H 26.708024202 43.464245163 61.008976753 H 26.794906024 37.679162914 56.306911437 H 27.653464477 40.335670592 61.896120426 H 28.978145256 40.979622798 61.294120259 H 26.859071190 34.314160712 55.015652145 H 26.810096014 36.524794966 53.796274963 H 31.148100095 30.107252760 64.332813907 H 29.775834147 32.671368790 65.406505665 H 30.657498468 32.618904505 63.882378318 H 29.076147637 30.554482183 63.279755487 H 28.022282214 31.211069475 64.550655029 H 37.591733103 31.385215403 62.196636960 H 36.619578152 33.122685583 60.843663456 H 35.287716387 32.105845947 61.405011466 H 34.791071308 33.868946435 63.219056931 H 36.152433218 34.826612915 62.606207839 H 34.119916584 35.775894076 61.716573730 H 35.011203172 35.022175365 60.358692487 H 31.224212004 35.993788364 59.493816515 H 32.881418092 36.280630357 59.918877753 H 30.117165768 34.061481319 60.257736881 H 31.090889089 32.757488663 60.843511432 H 24.114645073 44.679880775 63.461163423 H 23.830988996 45.918565993 64.421696012 H 29.785192916 30.079270837 60.044710776 H 28.744677817 30.604808913 61.074322175 H 26.562734674 28.961323452 55.596613481 H 25.892937750 30.266369759 54.877504808 H 29.048897476 39.341250629 59.318362491 H 25.856542754 33.053280961 55.289389884 H 28.503862377 30.788944566 56.285205015 H 33.412218919 32.987401963 60.998136934 H 27.501285969 36.402682612 55.733876928 H 25.177999511 32.951237589 62.497182746 H 20.092301656 33.993482391 60.907572978 H 31.735925806 38.527494197 59.147235556 H 30.532770844 39.853133060 57.354759247 H 31.911806693 40.960034359 57.241442958 H 31.440054155 42.829874032 58.263637610 H 30.560810184 42.976119009 59.763070104 H 33.169908959 39.566184956 58.953843935 C 32.279198091 39.175110037 58.438897092 C 31.373543164 40.284104633 57.928481997 C 30.778674826 41.068386979 59.079417902 N 30.928528073 42.381353035 59.019792077 O 30.169308422 40.506182390 60.027612275 H 32.627047338 38.543116851 57.603036653 N 22.473568144 39.040584068 54.465516053 C 23.022999172 40.393001739 54.533999286 H 22.255797920 41.057584103 54.872572866 C 23.480186214 40.850694796 53.133595746 C 24.633999011 41.823002090 53.204998724 C 25.938998947 41.365002001 52.987000122 C 24.432998978 43.206001883 53.490999210 C 27.012999003 42.258002034 53.019998750 C 25.548999031 44.110002096 53.555998805 C 26.827999002 43.625001936 53.334000263 H 23.808912475 39.970979951 52.547751394 H 22.624329707 41.288400049 52.586567576 H 26.117984814 40.307470356 52.754457997 H 23.413906116 43.587489755 53.640211467 H 28.028619045 41.885861949 52.835398274 H 25.372120047 45.170411932 53.776054547 H 27.695987634 44.295350935 53.370277320 H 21.044551858 36.869195909 54.393027009 C 21.594999251 36.938002156 55.307998939 C 21.896842449 38.412754086 55.524380468 O 21.622956290 39.021889055 56.580470072 C 22.835514060 35.992426450 55.201730021 C 22.650550121 34.771135870 56.111254620 C 23.076255911 35.546862968 53.748760694 H 20.931313579 36.627292764 56.131895721 H 23.732735230 36.543042182 55.547255013 H 21.768516320 34.180802548 55.797323062 H 22.500848665 35.073724745 57.161802366 H 23.531967707 34.106611462 56.073103199 H 22.221208406 34.944756983 53.385563968 H 23.987444791 34.928435607 53.666711288 H 23.198684062 36.402919927 53.061079007 H 23.865476751 40.409019565 55.251536943 H 22.714825043 38.478343124 53.650009978 H 20.945258982 27.056647009 52.914475995 C 21.601000032 26.282000000 53.311999999 C 23.017995524 26.369719249 52.735821940 C 23.725130936 27.703647430 52.975783863 N 23.872118745 28.044447871 54.433258180 H 21.269147642 33.536636746 49.267083983 C 21.496000848 33.330002645 50.313000934 H 22.064080594 34.150799672 50.750807109 C 22.297190772 32.012384705 50.399623454 C 22.708288724 31.696144932 51.830318050 N 21.786695373 31.074413392 52.595324199 O 23.840053220 32.035692019 52.261932536 Cl 21.839000712 30.339999797 55.765999032 H 20.537810601 33.249834738 50.857542216 H 20.874760326 30.839930200 52.208677434 H 21.925958828 30.903312852 53.606923142 H 21.699638705 31.178726454 49.985574610 H 23.222507648 32.090847151 49.803153357 H 23.087233426 28.629287952 54.803310073 H 24.808946067 28.604801349 54.595820158 H 23.931500129 27.197138202 55.014782243 H 22.994566369 26.208923144 51.641087111 H 23.644577187 25.553179772 53.148122006 H 21.145930142 25.303906433 53.074384624 H 21.597490173 26.377908976 54.413814285 H 24.742506545 27.681664211 52.549248200 H 23.180902917 28.542153599 52.507778774 H 23.558233607 50.083147173 59.008865124 H 28.334027934 36.096591783 53.639904770 A10 Mn 24.839119200 35.430386333 60.833202789 Mn 27.305109536 35.164144835 62.062549150 Mn 27.306857047 33.270378254 59.987875111 Mn 27.677409894 32.925824095 57.140001057 Ca 27.852788712 36.922108001 59.179178511 O 26.392288382 36.433562472 61.106080636 O 28.268384186 34.712909503 60.519260207 O 26.011008193 33.941083658 61.335393731 O 28.518047145 32.622787876 58.721513986 N 26.530831321 34.082620148 58.315386200 O 26.491375710 33.492767170 55.612828389 O 28.559985556 31.584571124 56.040905575 O 26.939333464 36.612369137 56.912168815 O 28.472226686 39.069831088 58.670147028 H 30.386279006 26.554955987 57.103005013 C 30.312281985 27.064949040 58.050496972 H 30.925319009 26.579769976 58.850733012 C 28.844698180 27.365269434 58.371656481 C 28.252654887 28.341365609 57.347665916 O 28.993700547 29.371217674 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28.939652781 34.194059201 56.427297488 O 29.631365640 35.693622004 57.973145535 N 32.005751755 35.471185504 52.368048517 C 32.064647001 35.924467999 50.969468012 C 30.860047014 35.427153003 50.158322957 H 21.689022998 40.969416996 58.988049999 C 22.547088006 41.319581006 59.569561001 C 22.871453652 42.792325281 59.464414879 O 23.588546478 43.345246629 60.333057936 C 23.758389118 40.419244349 59.260118957 C 23.357957288 38.981487394 59.564628696 C 24.425673223 37.922520212 59.433072215 O 25.584038503 38.124583471 59.036054903 O 23.968679562 36.737285245 59.805330604 N 22.392114767 43.489646541 58.402275428 C 22.797166999 44.863986000 58.165328001 H 21.965681998 45.497422001 57.900025001 C 23.853628902 45.028641622 57.043686524 C 25.112299494 44.272161122 57.297513998 C 25.448062605 42.979385718 56.943302494 N 26.178846240 44.743082308 58.048829031 C 27.112779533 43.776403129 58.140522530 N 26.681631774 42.693732932 57.480719605 H 25.248241999 49.914022999 59.570440002 C 24.423093997 49.401851001 59.075555999 C 24.091217709 48.170650249 59.933789168 C 25.309166236 47.270890527 60.095149827 N 25.467881380 46.599391131 61.247014517 O 26.144465325 47.160942038 59.151237147 H 19.270631033 31.358207947 59.579210002 C 20.170240982 31.259410128 58.971131984 C 21.215621584 30.472002770 59.771623109 O 21.368460395 30.650740269 61.003374123 C 20.644057988 32.640577561 58.473980367 C 21.460449719 33.401570040 59.456793485 C 22.809868824 33.681655238 59.425396228 N 21.015186771 33.914297135 60.666645989 C 22.055216290 34.473034671 61.324128535 N 23.168515385 34.341077919 60.587472854 N 21.952331337 29.574164310 59.065609036 C 23.024831051 28.754786095 59.656503088 H 22.650573980 28.351390921 60.618668952 C 24.332290942 29.534933453 59.847465586 C 24.923368655 29.979958575 58.505079887 C 25.873490448 31.146554824 58.566425891 O 26.101773887 31.723666232 59.680599654 O 26.382417973 31.519127575 57.439678861 H 25.342343000 28.901556994 65.956376002 C 25.430583006 29.593704006 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31.630163935 37.660281338 63.332318256 O 28.630432861 36.364993240 62.777587048 O 24.492206162 42.980710586 62.894103921 O 25.825796336 38.855237025 56.017955119 O 24.767361916 31.753231838 54.702281319 O 30.707284298 30.756089271 58.531686731 O 26.479777213 39.252451959 61.989682662 O 24.332016552 40.232634915 63.301468400 O 25.581691580 37.745644043 53.705539250 O 27.002947803 43.411264513 61.960230049 O 28.395309044 41.169275915 62.068401448 O 27.301979486 35.792789684 54.303138403 H 30.699472001 30.376336992 66.032444010 C 31.018906006 30.890758015 65.104315987 H 31.997505995 31.360957993 65.227864004 C 30.059732996 31.988917524 64.568156906 C 28.986441880 31.473819922 63.581585005 C 28.376002762 32.529926543 62.672513871 O 28.154942311 33.701659179 63.125919598 O 28.085389142 32.175771672 61.460950337 H 36.469287001 31.575154005 63.532723999 C 36.987892998 32.139354992 62.737354999 H 37.705291000 32.836251001 63.183209000 C 36.026378074 32.868374546 61.792979575 C 35.269722527 34.023143800 62.467544756 C 34.373077958 34.823340355 61.517809993 N 33.261626104 33.996699059 61.024017034 C 32.129776939 34.467020944 60.484873945 N 32.017762338 35.773805991 60.193341849 N 31.116373962 33.627208663 60.198529984 O 23.991895006 45.671523000 63.479742000 O 29.238869007 29.787565004 60.815742006 O 26.169660261 29.339398576 54.652077369 H 30.835225997 28.026006201 57.890115588 H 28.220960365 26.454968886 58.390472011 H 28.755684649 27.856885956 59.361430807 H 32.856818016 42.621305589 54.067267631 H 31.874420965 40.495194815 52.043646439 H 31.424958049 42.208281202 51.967572402 H 30.695809803 43.202920882 54.435809684 H 30.295998794 39.065224549 53.205468955 H 28.998019346 42.850569119 56.193079606 H 28.566293922 38.715847970 54.957098335 H 27.235800533 41.729647920 57.204280977 H 32.877365879 31.101926581 53.610860822 H 33.627870866 29.974293678 55.653285812 H 31.848516274 30.151447343 55.682104419 H 32.124158865 31.167623425 57.547486968 H 32.923632125 34.245264952 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22.650574003 28.351391002 60.618668999 C 24.318952670 29.550214137 59.865320068 C 24.896049581 30.048926481 58.538109202 C 25.800554537 31.254256962 58.630540048 O 26.094103641 31.743222309 59.769462798 O 26.211535630 31.722230427 57.509094404 H 25.342342999 28.901556998 65.956376002 C 25.430583003 29.593704002 66.782122998 H 25.235584000 29.098262998 67.755772999 C 24.425915024 30.761015585 66.602771443 C 24.384437886 31.322009330 65.210816163 C 25.201435655 32.212310914 64.536339574 N 23.427277903 30.938420653 64.275447270 C 23.636215819 31.554485901 63.096412938 N 24.719412170 32.330386718 63.242439900 H 24.889819998 37.055719002 67.047361999 C 25.452203999 36.885366002 66.121680996 C 26.284432361 38.167151846 65.930256064 O 25.794711208 39.211234823 65.457618004 C 24.454657196 36.599354629 65.008837509 C 25.030344098 35.997995778 63.738326613 O 26.273460940 35.670596880 63.717555712 O 24.218493321 35.844123656 62.773102144 N 27.579616117 38.128124973 66.372804091 C 28.490867002 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25.048477300 28.948243884 60.405550826 H 25.503728492 29.337403515 58.058740607 H 24.061714797 30.327183467 57.839128148 H 26.458140316 29.996294049 66.788021215 H 23.383141213 30.344772640 66.904397607 H 24.606697213 31.541092874 67.352729038 H 25.991963918 32.766108974 64.926776867 H 22.596078470 30.257168820 64.497012071 H 22.931006806 31.414637927 62.257866354 H 26.107277786 36.016732168 66.303420360 H 23.704782662 35.880559732 65.301184772 H 23.928557204 37.521278944 64.686521289 H 27.930609870 37.248669124 66.763237722 H 27.877973484 40.197796935 66.376947327 H 28.812351175 37.604112634 64.496036551 H 30.122152212 39.309262699 62.578986458 H 31.773912649 36.921232847 63.658318748 H 32.168752835 38.658857343 63.877562365 H 32.178331378 37.944478813 62.237665878 H 24.022667460 43.024425220 62.019398325 H 25.456276626 43.149533426 62.600419724 H 26.460697281 39.746048662 56.324539761 H 25.441907480 38.880602916 57.129725691 H 28.221407281 39.563484722 58.021398005 H 23.817057539 31.405967238 55.233604486 H 24.412255459 31.853200870 53.844554757 H 29.600597241 31.688270164 58.520705556 H 29.768277304 30.236874134 57.925279232 H 29.183961920 31.902586447 55.218609833 H 25.624517903 39.559190815 62.413894595 H 26.402671725 38.307110677 61.769426725 H 24.406294268 41.233643764 63.293440307 H 24.720235157 39.979325140 64.215727096 H 25.337697369 38.425874723 54.373414986 H 25.176703026 37.945528926 52.836798970 H 26.690193567 43.545714342 60.898314986 H 27.516869261 42.634855042 61.870917638 H 26.761940348 37.649109147 56.352870098 H 27.703525583 40.462684496 61.913372912 H 29.019249953 41.077714766 61.271678426 H 26.872777881 34.882628308 54.640451526 H 26.602591344 36.292563908 53.928347556 H 31.157609516 30.103720469 64.338037515 H 29.632016384 32.562931375 65.419969266 H 30.661341355 32.704044549 63.999254714 H 29.321467400 30.633313160 63.027458172 H 28.102036358 31.030036556 64.252102462 H 37.580296956 31.394712567 62.172898925 H 36.595137751 33.269019510 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31.909871747 40.960202510 57.242184654 H 31.424254796 42.830544451 58.253428768 H 30.557435276 42.977801056 59.760054005 H 33.169909026 39.566184995 58.953844007 C 32.279197982 39.175110027 58.438896997 C 31.372180974 40.283621005 57.928848463 C 30.778674993 41.068386964 59.079417997 N 30.928529008 42.381353019 59.019792996 O 30.178990549 40.508746805 60.036983710 H 32.626941278 38.544282770 57.602307219 N 22.482211204 39.036470772 54.472821729 C 23.022998879 40.393002093 54.533998870 H 22.255798064 41.057583955 54.872573068 C 23.479084832 40.851165252 53.133200833 C 24.633998972 41.823002040 53.204998996 C 25.938999102 41.365001927 52.986999103 C 24.432999000 43.206002001 53.490999034 C 27.012998890 42.258002133 53.019998874 C 25.548998957 44.110001990 53.555998954 C 26.827999088 43.625001925 53.334000074 H 23.805770590 39.972196168 52.545053683 H 22.623465543 41.291362210 52.587705100 H 26.118348417 40.306784445 52.757193986 H 23.413992008 43.587751719 53.640268078 H 28.028489135 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54.474640638 H 22.025546997 34.188969010 49.076754958 C 22.118589011 33.884064945 50.119098063 H 22.670201024 34.631878057 50.688835016 C 22.772061279 32.487874730 50.214489260 C 22.982549212 32.036538161 51.656367164 N 21.946916098 31.411182787 52.264938807 O 24.068386332 32.262225459 52.243794750 Cl 21.839001011 30.340000040 55.765998750 H 21.094129467 33.855341700 50.535406252 H 21.069517053 31.250248899 51.775385053 H 21.994664566 31.139191697 53.254516832 H 22.150685741 31.748236229 49.676002057 H 23.767661313 32.498488552 49.737789328 H 23.042339673 28.611533826 54.828250357 H 24.766206328 28.535843176 54.681844733 H 23.829786162 27.146651222 55.039460296 H 22.989117888 26.232900341 51.634719865 H 23.641146143 25.547699881 53.128895773 H 21.144610370 25.304865021 53.072451320 H 21.596853212 26.374006081 54.413942026 H 24.745108421 27.688133976 52.605975979 H 23.183693192 28.547338753 52.540289368 H 27.621237704 31.547871887 54.890315059 B4 Mn 24.891227898 35.410544877 60.838177932 Mn 27.354458486 35.170323580 62.088590083 Mn 27.335526664 33.283021339 60.021600645 Mn 27.566241371 33.154088234 57.275719029 Ca 27.721469800 36.653887638 59.002528652 O 26.430244944 36.428588564 61.098163326 O 28.364731631 34.680324965 60.623901398 O 26.044890423 33.950414537 61.372524376 O 28.505426018 32.599068226 58.721288384 O 26.713369844 34.239664342 58.568065057 O 26.361888314 33.773556659 55.751174319 N 28.352882486 31.782253738 55.957667729 O 27.288175025 36.863929885 56.613881635 O 28.439945545 38.885830335 58.668907785 H 30.386278989 26.554956016 57.103004990 C 30.312282041 27.064947952 58.050497032 H 30.925318972 26.579770029 58.850732981 C 28.836150552 27.294009441 58.401890537 C 28.174197896 28.261686780 57.409453290 O 28.847910729 29.304824354 57.074944164 O 27.007808660 28.011134737 56.966755767 H 33.765458980 42.205889008 52.647136012 C 33.048045051 41.804449977 53.345645957 H 33.479305981 40.971406012 53.939090013 C 31.742508952 41.405021543 52.640595545 C 30.641445805 41.165119577 53.649321461 C 30.247014618 42.213794677 54.510420310 C 30.041370974 39.903868300 53.833001734 C 29.307857728 42.013633455 55.525934813 C 29.086275281 39.689900517 54.841477844 C 28.709196518 40.741760566 55.709433832 O 27.802860231 40.534579136 56.700850386 H 33.875561022 32.213250016 54.592800003 C 32.897070975 31.686965971 54.550601995 C 31.731849928 32.635063383 54.400010452 O 30.599974512 32.224899144 54.070683031 C 32.731209049 30.771181254 55.778789095 O 32.745802779 31.531032094 56.992822347 N 31.976513196 33.959337867 54.646195696 C 30.924183006 34.954304010 54.514781985 C 30.978133447 35.769775861 53.211925600 O 30.046669355 36.569481171 52.961820398 C 30.717181878 35.798766110 55.788901310 C 29.784972483 35.229487909 56.878181391 O 28.929093256 34.329194076 56.490395879 O 29.835032350 35.712875894 58.035271504 N 31.996021970 35.489733009 52.372908514 C 32.064647008 35.924468015 50.969468015 C 30.860046997 35.427152981 50.158322973 H 21.689022998 40.969417002 58.988049998 C 22.547088003 41.319581005 59.569561001 C 22.904385213 42.781232041 59.451695656 O 23.696022250 43.302765669 60.278393071 C 23.744210860 40.401813881 59.250329661 C 23.263366957 38.958219826 59.386100126 C 24.321316098 37.882984813 59.374551017 O 25.416359875 37.977604964 58.771034264 O 23.933605835 36.820241101 60.030620851 N 22.375501338 43.498223248 58.430042880 C 22.797167001 44.863986000 58.165328001 H 21.965681998 45.497422001 57.900025002 C 23.839686146 44.983040534 57.023624863 C 25.097751622 44.220907886 57.274419115 C 25.439058902 42.927139789 56.926745161 N 26.168746802 44.704598478 58.012240712 C 27.108017446 43.745545772 58.106122287 N 26.680694279 42.655069232 57.457535954 H 25.248241999 49.914023001 59.570440001 C 24.423093999 49.401850996 59.075556002 C 24.089091438 48.174609461 59.936886861 C 25.272799707 47.220854643 60.040306921 N 25.407523874 46.477962610 61.150135840 O 26.086875543 47.123799193 59.076426617 H 19.270631019 31.358208007 59.579209995 C 20.170240972 31.259409985 58.971132015 C 21.208630617 30.463400577 59.773678741 O 21.362089448 30.640697515 61.005452483 C 20.670813008 32.628157795 58.450585588 C 21.518267093 33.380461093 59.415558747 C 22.878159690 33.624523138 59.405955648 N 21.059923656 33.938103382 60.600509453 C 22.098007661 34.490806298 61.264679218 N 23.222624787 34.311244233 60.557774371 N 21.937488810 29.558295309 59.067698874 C 23.024830968 28.754785975 59.656503030 H 22.650574019 28.351391025 60.618668977 C 24.313923145 29.570117612 59.847529284 C 24.875752166 30.081655254 58.513552226 C 25.797523257 31.275393135 58.606878898 O 26.108622148 31.745991498 59.747910336 O 26.219071782 31.757043839 57.488558641 H 25.342342994 28.901557005 65.956376036 C 25.430583019 29.593704024 66.782122908 H 25.235583991 29.098262973 67.755773040 C 24.417316462 30.754257396 66.610245527 C 24.359276731 31.303928325 65.215795297 C 25.176770573 32.178880638 64.523392718 N 23.389233241 30.916801107 64.295509930 C 23.589280523 31.515572542 63.106704958 N 24.680961848 32.283850677 63.233717454 H 24.889819994 37.055718996 67.047362002 C 25.452204006 36.885366008 66.121680999 C 26.289996183 38.162090485 65.920445957 O 25.811246375 39.199029396 65.422053414 C 24.456128214 36.591054742 65.010089138 C 25.028287244 35.981148715 63.743659567 O 26.272463385 35.652499072 63.717785940 O 24.215631271 35.820071761 62.780611589 N 27.580673846 38.126304387 66.376495421 C 28.490866994 39.280093993 66.368273986 C 29.448933435 39.377736068 65.166439961 O 30.181272470 40.372062052 65.030403047 H 29.083429007 39.257539001 67.291201008 N 29.415385264 38.323751525 64.320098502 C 30.098818639 38.267957094 63.029665404 C 29.320785010 37.296525429 62.119167184 O 29.346790389 37.410299601 60.883146605 C 31.579254573 37.858786085 63.159756109 O 28.666242725 36.374280554 62.784471394 O 24.327370264 42.950682807 62.951898233 O 25.743297326 39.051239034 56.122931555 O 24.760005764 31.842149269 54.790229249 O 30.564365125 30.740160502 58.463049050 O 26.403446112 39.256287705 61.885031384 O 24.267535535 40.151452869 63.328349522 O 25.581691649 37.745644510 53.705539093 O 26.537043959 43.495428281 61.462940072 O 28.118518686 41.374953946 61.709891456 O 27.376675489 35.763198733 54.088951614 H 30.699472005 30.376336999 66.032444041 C 31.018905997 30.890758002 65.104315928 H 31.997506000 31.360957999 65.227864023 C 30.066702048 31.990406613 64.580675972 C 28.932650492 31.466864147 63.674943266 C 28.345879801 32.513885863 62.742566652 O 28.128247089 33.691055780 63.195901343 O 28.084954861 32.153973942 61.534004068 H 36.469287004 31.575153993 63.532723993 C 36.987892992 32.139355019 62.737355022 H 37.705291002 32.836250994 63.183208996 C 36.037365720 32.854683605 61.770077556 C 35.323257400 34.068604386 62.385227550 C 34.416570498 34.822722176 61.405644498 N 33.261626015 33.996698908 61.024016791 C 32.129776982 34.467021058 60.484874195 N 32.000770254 35.768491006 60.176563628 N 31.102123379 33.627441819 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20.945258997 27.056647004 52.914475999 C 21.601000000 26.281999992 53.312000001 C 23.016448516 26.361508971 52.731874466 C 23.734820534 27.686159270 52.986147488 N 23.860040148 28.012961840 54.449827519 H 21.269148061 33.536637049 49.267084011 C 21.496000852 33.330001859 50.313000994 H 22.064081070 34.150800082 50.750807002 C 22.307515381 32.018563919 50.410343896 C 22.696932260 31.704351742 51.848016481 N 21.776276723 31.053658443 52.588669561 O 23.810170485 32.070473703 52.309527169 Cl 21.839001045 30.340000038 55.765998987 H 20.537507183 33.247249906 50.856408887 H 20.878191368 30.799472746 52.182233194 H 21.898971631 30.885418619 53.602629001 H 21.724709512 31.179440170 49.986786697 H 23.241185985 32.106313493 49.828203003 H 23.068635147 28.593100965 54.812538814 H 24.781814618 28.573057804 54.635478693 H 23.912198110 27.159661643 55.023705986 H 22.989467337 26.211908930 51.635829825 H 23.636776912 25.535899410 53.135291147 H 21.142374804 25.305101395 53.076414631 H 21.599796329 26.377313159 54.413815997 H 24.758553118 27.655899986 52.576075169 H 23.206007751 28.534044425 52.517629685 H 23.560681938 50.086403295 59.009776393 H 27.703659967 31.691345903 55.167704124 H 28.242878622 35.995056526 53.666512656 B4 Mn 25.101263942 35.376888789 60.833139979 Mn 27.460145312 35.211696085 62.227014036 Mn 27.137120019 33.421887979 60.137339899 Mn 27.577530999 33.070260615 57.037977872 Ca 27.721454018 36.677863422 59.060486960 O 26.526940100 36.475845461 61.253589519 O 28.319050771 34.717906995 60.697479188 O 26.064699725 33.996249752 61.706066045 O 28.226187506 32.950572556 58.736665714 O 26.002297886 34.686274360 59.331451930 O 26.318634003 33.776751676 55.604207639 N 28.331515408 31.609019560 55.626283501 O 27.199275894 36.776470230 56.666900443 O 28.499429438 38.867073704 58.651074579 H 30.386278985 26.554956018 57.103004916 C 30.312282082 27.064947898 58.050497170 H 30.925318951 26.579770074 58.850732930 C 28.835879861 27.275453175 58.415721847 C 28.151589244 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55.792719344 C 29.759229089 35.195178863 56.834679230 O 28.946272346 34.283694669 56.387518109 O 29.746958174 35.661999260 57.999594599 N 31.997627432 35.493157745 52.373970815 C 32.064647043 35.924467987 50.969467965 C 30.860046948 35.427152965 50.158323066 H 21.689022999 40.969417003 58.988049998 C 22.547088001 41.319580994 59.569561006 C 22.916515873 42.777473323 59.443381176 O 23.717867476 43.294674874 60.263812820 C 23.748070071 40.388091025 59.286320586 C 23.313127312 38.933140530 59.487741457 C 24.417307259 37.895267592 59.464620670 O 25.500409974 38.044803985 58.855445228 O 24.086547207 36.807224004 60.117388163 N 22.377869814 43.497802312 58.429905357 C 22.797166999 44.863985996 58.165327999 H 21.965681998 45.497422001 57.900025002 C 23.843625017 44.982525372 57.027812582 C 25.102095966 44.225943201 57.291787721 C 25.462033989 42.942790090 56.924881214 N 26.149490678 44.702202999 58.067601057 C 27.094250343 43.748089818 58.164243965 N 26.692194834 42.668454805 57.481112896 H 25.259613962 50.039467081 59.418350685 C 24.423094003 49.401851005 59.075555999 H 23.611782993 50.074122998 58.796406002 C 24.126323553 48.318776637 60.112059630 C 25.253683184 47.281180592 60.142399068 N 25.411223577 46.533785608 61.245210784 O 25.998440577 47.126154228 59.132317890 H 19.270631066 31.358207926 59.579209813 C 20.170240909 31.259410127 58.971132363 C 21.179200796 30.423659270 59.772161463 O 21.303503073 30.568809475 61.012029591 C 20.748840081 32.630923457 58.522268951 C 21.644671054 33.328530611 59.496335433 C 22.998257930 33.614116531 59.430581487 N 21.229881966 33.857967992 60.711624562 C 22.283438818 34.428783122 61.336529935 N 23.380010224 34.293311436 60.576967012 N 21.928856284 29.541327189 59.060445449 C 23.024831014 28.754785940 59.656503085 H 22.650574014 28.351391027 60.618668958 C 24.297938089 29.594080379 59.855911646 C 24.856481291 30.126981347 58.528964455 C 25.714857989 31.370024079 58.616534353 O 25.955091014 31.878256614 59.761746891 O 26.132637693 31.844435000 57.492850947 H 25.342342979 28.901556925 65.956375943 C 25.430583036 29.593704076 66.782123134 H 25.235583985 29.098262995 67.755772940 C 24.376894702 30.721499106 66.644037501 C 24.289640366 31.288480325 65.263036857 C 25.093142639 32.182551161 64.582055721 N 23.327777229 30.891771860 64.339263457 C 23.520035427 31.505530442 63.155984644 N 24.596945550 32.291095249 63.295812037 H 24.889820052 37.055718984 67.047361950 C 25.452203923 36.885366021 66.121681063 C 26.295503468 38.160781064 65.928960123 O 25.807853754 39.208337571 65.462162761 C 24.471584140 36.602028796 64.980948249 C 25.118721101 36.027611121 63.729557836 O 26.360679251 35.715752904 63.807611314 O 24.376695798 35.886507624 62.694547755 N 27.596548648 38.114897247 66.354755344 C 28.490867057 39.280093992 66.368274007 C 29.450775300 39.429593654 65.175060566 O 30.126990574 40.462994019 65.041658814 H 29.083428966 39.257538999 67.291200986 N 29.483860384 38.371542308 64.335440804 C 30.158408586 38.349532077 63.039529404 C 29.413860718 37.336268439 62.148276368 O 29.411525302 37.432766008 60.910892524 C 31.659696221 38.020694154 63.153720229 O 28.808175517 36.396459632 62.838847627 O 24.315049215 42.962473891 62.954104199 O 25.762845834 39.033036283 56.124413011 O 24.763892239 31.811851883 54.736311150 O 30.322626594 30.944573966 58.445365439 O 26.401978575 39.315769060 61.937873254 O 24.257569114 40.177135786 63.380817029 O 25.581691978 37.745644747 53.705539182 O 26.525963320 43.506701570 61.479715390 O 28.139036237 41.408193571 61.725865539 O 27.395510025 35.798953095 54.068206415 H 30.699472029 30.376337020 66.032444036 C 31.018905917 30.890757953 65.104315911 H 31.997506060 31.360958034 65.227864035 C 30.059788707 31.981473937 64.584844399 C 28.960573607 31.454288402 63.642720440 C 28.371788445 32.520122419 62.736192678 O 28.247851263 33.702203065 63.225785572 O 28.029241488 32.180574863 61.543953283 H 36.469286994 31.575154015 63.532723990 C 36.987893014 32.139354968 62.737354998 H 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22.255798078 41.057583930 54.872573077 C 23.479929031 40.850731217 53.133613559 C 24.633998989 41.823001982 53.204999175 C 25.938999071 41.365002020 52.986998783 C 24.432998999 43.206002011 53.490999039 C 27.012998921 42.258002089 53.019999072 C 25.548998952 44.110001995 53.555998920 C 26.827999082 43.625001933 53.334000026 H 23.807653788 39.971457772 52.546433550 H 22.624000240 41.289951618 52.588012624 H 26.118689658 40.308119546 52.752069135 H 23.413844008 43.587898759 53.638774782 H 28.028238897 41.885621357 52.834039993 H 25.372113436 45.170507705 53.775348692 H 27.695702651 44.295762957 53.369250282 H 21.044552032 36.869196023 54.393026906 C 21.594998964 36.938001954 55.307999151 C 21.971516714 38.390210735 55.550047006 O 21.816636537 38.966483871 56.648745955 C 22.753397090 35.915980556 55.258336461 C 23.505994799 35.853483746 56.591275390 C 22.189047785 34.541447614 54.864664009 H 20.903570052 36.650683667 56.122512628 H 23.466406118 36.235401721 54.471139976 H 22.816256369 35.595270625 57.416775757 H 23.980589767 36.818333065 56.837127484 H 24.302595400 35.090530474 56.559770696 H 21.434973362 34.200493801 55.599608438 H 22.989445711 33.782683205 54.831425669 H 21.702710157 34.568224786 53.872282106 H 23.863169621 40.412370993 55.253311621 H 22.614885816 38.506908131 53.609796169 H 20.945259009 27.056647009 52.914476000 C 21.600999990 26.281999973 53.312000004 C 23.016868601 26.376891196 52.736935864 C 23.713365401 27.709454225 53.006878833 N 23.817285398 28.021336148 54.474872755 H 22.025546995 34.188969011 49.076754952 C 22.118589013 33.884064944 50.119098072 H 22.670201032 34.631878062 50.688835019 C 22.771847551 32.487504005 50.216680206 C 23.000187846 32.051049058 51.659141173 N 21.985721909 31.413399715 52.284489007 O 24.090288850 32.305254610 52.233019600 Cl 21.839001012 30.340000046 55.765998742 H 21.094298850 33.855428361 50.535590418 H 21.107589950 31.229289513 51.803926698 H 22.044994244 31.151955095 53.277099295 H 22.143100409 31.743826729 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56.204277740 O 27.163005714 36.728234135 56.585023563 O 28.464129215 38.818465575 58.637898215 H 30.386278987 26.554955989 57.103005041 C 30.312282030 27.064948076 58.050496913 H 30.925318991 26.579769956 58.850733031 C 28.838702815 27.306568106 58.402973224 C 28.175671288 28.268132386 57.401226052 O 28.833352481 29.322959859 57.077301600 O 27.020207589 27.989734014 56.944416117 H 33.765458981 42.205888948 52.647136021 C 33.048045001 41.804450090 53.345645985 H 33.479306009 40.971405960 53.939090004 C 31.734223260 41.412857865 52.651720897 C 30.638181155 41.183447818 53.669495080 C 30.238254490 42.241159149 54.516697125 C 30.049064360 39.920091482 53.874156653 C 29.301609715 42.048683288 55.537189437 C 29.098398391 39.712980213 54.887924578 C 28.713897639 40.774807709 55.739263768 O 27.809775351 40.568079879 56.735171399 H 33.875560958 32.213250149 54.592800123 C 32.897071037 31.686965722 54.550601826 C 31.789999395 32.657738532 54.182481360 O 30.816076323 32.335669533 53.482579855 C 32.631255191 30.888751686 55.838510238 O 32.631242656 31.727546634 56.997276261 N 31.952853703 33.936001116 54.661974267 C 30.924183001 34.954304124 54.514782047 C 31.046457601 35.794601944 53.227221946 O 30.200157627 36.690840547 52.988830152 C 30.770124607 35.807205507 55.789483751 C 29.870312684 35.240709242 56.907663986 O 29.079845820 34.286485731 56.567431255 O 29.908213433 35.788837984 58.046950820 N 32.021008438 35.455172863 52.363509944 C 32.064646979 35.924467962 50.969467956 C 30.860046997 35.427153029 50.158323055 H 21.689022987 40.969416996 58.988049984 C 22.547088019 41.319581002 59.569561019 C 22.852315503 42.797257578 59.483813006 O 23.534792016 43.360944325 60.373797369 C 23.753972711 40.420747080 59.230955318 C 23.285861493 38.973275802 59.386351152 C 24.336179465 37.887696946 59.363083582 O 25.420615919 37.968359883 58.735777127 O 23.950396641 36.832729872 60.027440020 N 22.386712101 43.491158484 58.411950130 C 22.797167006 44.863986000 58.165328001 H 21.965681992 45.497422006 57.900025001 C 23.859162748 45.001170056 57.044163753 C 25.116716629 44.241105683 57.308668156 C 25.467462929 42.950568600 56.954603683 N 26.177777298 44.719077436 58.064184037 C 27.118866615 43.757374175 58.156425250 N 26.703250863 42.671338200 57.494051313 H 25.248242036 49.914023015 59.570440023 C 24.423093961 49.401850984 59.075555979 C 24.091343253 48.170028877 59.932986016 C 25.309117759 47.268672133 60.092159631 N 25.465047117 46.592675365 61.242339647 O 26.145018699 47.161805661 59.149483863 H 19.270630866 31.358207898 59.579209990 C 20.170241208 31.259410209 58.971132032 C 21.204924229 30.460646100 59.777404755 O 21.344947993 30.626254969 61.012507282 C 20.680211438 32.623707552 58.449350758 C 21.522201469 33.380030669 59.416208531 C 22.886492652 33.599907096 59.430126436 N 21.048814360 33.980147934 60.574343864 C 22.083562108 34.536710629 61.242616354 N 23.218489643 34.318045106 60.565472649 N 21.943623617 29.566168278 59.068835248 C 23.024831296 28.754786365 59.656503010 H 22.650573830 28.351390729 60.618669019 C 24.321085428 29.552536947 59.857108521 C 24.886035011 30.073338468 58.531556535 C 25.848121000 31.235666840 58.642339740 O 26.114385762 31.725024536 59.789658890 O 26.333687070 31.665068950 57.536642509 H 25.342342997 28.901556971 65.956376011 C 25.430583004 29.593704048 66.782122952 H 25.235583998 29.098262984 67.755773016 C 24.419903185 30.756734756 66.606406056 C 24.372321104 31.319826247 65.215859196 C 25.179613814 32.221378610 64.545058982 N 23.422023388 30.926207907 64.277657692 C 23.626864890 31.546599432 63.099941380 N 24.700063225 32.335295215 63.250081983 H 24.889819976 37.055719033 67.047362020 C 25.452204017 36.885365938 66.121680963 C 26.289186449 38.161561798 65.914690199 O 25.812985713 39.194625651 65.405299640 C 24.441355443 36.601609758 65.021121856 C 25.008457286 36.000491288 63.749326946 O 26.249981238 35.669290161 63.729997144 O 24.195801311 35.850377291 62.784462541 N 27.576724158 38.130178804 66.379350821 C 28.490866973 39.280094017 66.368273977 C 29.475079004 39.355998046 65.184981763 O 30.241655840 40.328433491 65.075340914 H 29.083429023 39.257538990 67.291201017 N 29.426987493 38.307336879 64.335711618 C 30.140121492 38.215593096 63.062682090 C 29.329457003 37.276665274 62.142754665 O 29.344201949 37.408316591 60.908454913 C 31.591182555 37.725030918 63.231958032 O 28.664536645 36.364114197 62.808892194 O 24.459025113 42.968475890 62.919694875 O 25.723062802 39.049412049 56.158003842 O 24.680968700 31.652601815 54.809167912 O 30.568971701 30.747338002 58.518361498 O 26.362014025 39.226000265 61.779651596 O 24.291166896 40.176149575 63.297621494 O 25.581692305 37.745645305 53.705538809 O 26.965076028 43.376479485 61.952875433 O 28.294361235 41.104511015 61.991698565 O 27.707015213 36.053922471 54.022551915 H 30.699472030 30.376337026 66.032444010 C 31.018905924 30.890757939 65.104315935 H 31.997506041 31.360958028 65.227864027 C 30.076225862 31.992529433 64.582231881 C 28.854166934 31.471588085 63.797875970 C 28.285606461 32.498576004 62.830611246 O 28.075041093 33.688766413 63.264672282 O 28.046398421 32.122168471 61.630771665 H 36.469287004 31.575153996 63.532723995 C 36.987892991 32.139355008 62.737355010 H 37.705291005 32.836250996 63.183209000 C 36.040937079 32.848632662 61.761668340 C 35.343262049 34.084263084 62.352181407 C 34.432627058 34.818733415 61.360566985 N 33.261625976 33.996698885 61.024016844 C 32.129777003 34.467021074 60.484874131 N 32.011673809 35.760472195 60.133127811 N 31.092880782 33.633344604 60.293576459 O 23.991894985 45.671523020 63.479741951 O 29.238869006 29.787564991 60.815742042 O 26.144624022 29.291667042 54.800246391 H 30.801862217 28.043587871 57.895239183 H 28.259619287 26.366823897 58.435763682 H 28.756250505 27.786635224 59.398699869 H 32.855900023 42.620488971 54.067906147 H 31.873812837 40.507022857 52.032464137 H 31.440428856 42.225560052 51.956915016 H 30.675442478 43.240389014 54.379610786 H 30.340422144 39.070585377 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32.854552396 36.312912072 59.997269253 H 30.153960893 34.019590524 60.120042642 H 31.110793520 32.719430312 60.740848360 H 24.113088103 44.679794971 63.461159708 H 23.830989002 45.918565989 64.421695993 H 29.825821381 30.065446574 60.067071027 H 28.740998111 30.609045377 61.037755011 H 26.534920336 28.932577962 55.670734389 H 25.817460765 30.220364766 54.952121547 H 29.074849331 39.289136107 59.260920540 H 25.857107180 33.031482927 55.457532767 H 28.424515675 30.880888848 56.492026254 H 33.412219024 32.987402055 60.998137046 H 27.507887926 36.418504570 55.695049609 H 25.146994423 32.930347083 62.496468052 H 20.078861573 33.982318590 60.890412274 H 31.733008403 38.529541314 59.146769089 H 30.541448473 39.862884171 57.348254723 H 31.925381646 40.965981905 57.248539521 H 31.453294062 42.827412441 58.271359944 H 30.557572801 42.977796937 59.760181927 H 33.169908987 39.566184990 58.953843988 C 32.279198029 39.175109997 58.438897014 C 31.380286956 40.288524198 57.928571990 C 30.778674926 41.068387062 59.079417961 N 30.928528036 42.381352950 59.019792025 O 30.155917783 40.501209639 60.015794025 H 32.626509337 38.541894603 57.603837573 N 22.487113281 39.034958216 54.470572993 C 23.022998962 40.393001998 54.533998951 H 22.255798013 41.057583999 54.872573022 C 23.479411934 40.851310668 53.133305951 C 24.633999031 41.823002079 53.204998919 C 25.938999037 41.365001973 52.987000137 C 24.432998977 43.206001932 53.490999059 C 27.012998980 42.258002013 53.019998940 C 25.548999012 44.110002045 53.555998947 C 26.827999013 43.625001972 53.334000059 H 23.806769780 39.972290817 52.545715492 H 22.623637954 41.290810426 52.587632851 H 26.118162604 40.307615137 52.753836582 H 23.413862235 43.587726137 53.639386121 H 28.028518002 41.885798048 52.835093519 H 25.372136340 45.170422663 53.776037854 H 27.695941888 44.295429769 53.369795869 H 21.044552002 36.869196018 54.393027016 C 21.594998981 36.938001953 55.307998984 C 21.944330226 38.399058391 55.540833066 O 21.721898220 38.995413057 56.616689725 C 22.753031207 35.916492195 55.275542620 C 23.423813349 35.817273674 56.648675710 C 22.210406607 34.553683295 54.814766420 H 20.896806298 36.650580985 56.116770079 H 23.507785728 36.257902652 54.537997654 H 22.681820183 35.569577410 57.430102970 H 23.920390969 36.758843497 56.933781444 H 24.186869963 35.020693193 56.662741832 H 21.416350360 34.195331576 55.497768352 H 23.009847945 33.792062837 54.802874462 H 21.778557611 34.610374257 53.798737449 H 23.864589790 40.416256313 55.252516951 H 22.689592601 38.482473260 53.637696715 H 20.945258979 27.056647003 52.914475994 C 21.601000030 26.282000009 53.311999999 C 23.015517369 26.356346093 52.727716767 C 23.743696918 27.676630354 52.980481884 N 23.888688810 28.001087802 54.441256137 H 21.269147741 33.536636860 49.267083837 C 21.496000600 33.330002451 50.313001243 H 22.064080733 34.150799723 50.750806941 C 22.286724946 32.006353754 50.393381127 C 22.670530750 31.665738230 51.825396801 N 21.734747716 31.024769066 52.560341363 O 23.789372772 32.002234167 52.287329424 Cl 21.839000684 30.339999750 55.765998946 H 20.536502204 33.252704603 50.855923791 H 20.830379165 30.796147836 52.153146462 H 21.854133633 30.849545007 53.572651068 H 21.688905759 31.184723780 49.956342146 H 23.222168553 32.086299835 49.813041161 H 23.103889121 28.582465176 54.811379149 H 24.830137750 28.559897302 54.619190176 H 23.941371927 27.146934196 55.013353908 H 22.984004751 26.207299393 51.631561837 H 23.631975740 25.526357301 53.128228735 H 21.139108371 25.305188606 53.081940769 H 21.604234198 26.382363580 54.413401198 H 24.762356877 27.641794628 52.557820494 H 23.215266939 28.527968710 52.517736671 H 23.558779560 50.083813422 59.008556232 H 28.566764190 36.374956459 53.633530647 C2 Mn 24.887342962 35.404340446 60.851640934 Mn 27.344811921 35.158755168 62.102716950 Mn 27.371700777 33.234120436 60.068232840 Mn 27.700880076 33.050889710 57.345833557 Ca 27.718363910 36.625802638 58.992084897 O 26.435053755 36.411777361 61.092711959 O 28.373995925 34.654105233 60.661316253 O 26.035906581 33.942377884 61.381875562 O 28.589359946 32.517874011 58.871589672 O 26.814194995 34.156427180 58.549228337 N 26.547183426 33.745852645 55.786723071 O 28.477857690 31.696787854 56.099787461 O 27.147690761 36.716867505 56.588904135 O 28.473884620 38.843137624 58.624966077 H 30.386279017 26.554955958 57.103004975 C 30.312281966 27.064948096 58.050497031 H 30.925319008 26.579769962 58.850732993 C 28.845783943 27.370737432 58.378278674 C 28.237195893 28.361943041 57.371964674 O 28.951557362 29.404778808 57.078697306 O 27.091658470 28.141522380 56.886348819 H 33.765458975 42.205888993 52.647136018 C 33.048045037 41.804450001 53.345645975 H 33.479305985 40.971405992 53.939090008 C 31.733695235 41.418285036 52.650528619 C 30.636903068 41.186623818 53.666549519 C 30.239078784 42.239038610 54.521411140 C 30.043842467 39.923956967 53.861223246 C 29.300624188 42.041090032 55.539103820 C 29.092020423 39.711640659 54.872680443 C 28.708295472 40.767434038 55.732334190 O 27.802899720 40.558058613 56.725348968 H 33.875560999 32.213249997 54.592799993 C 32.897071001 31.686966000 54.550602000 C 31.703854290 32.610345206 54.519578382 O 30.542941915 32.164470864 54.372840456 C 32.807503540 30.706084373 55.737541518 O 32.904447857 31.409465472 56.982928116 N 31.960475504 33.942099186 54.639881934 C 30.924183005 34.954303995 54.514782002 C 31.057392098 35.802102668 53.233810330 O 30.239366042 36.726291231 53.018139583 C 30.742797999 35.788078977 55.799601918 C 29.850293808 35.197580990 56.907862098 O 29.103543640 34.191219150 56.572722623 O 29.838896067 35.754491932 58.034281802 N 32.015379688 35.439646258 52.357913086 C 32.064646998 35.924467997 50.969467997 C 30.860046996 35.427153012 50.158323014 H 21.689022988 40.969416998 58.988049981 C 22.547088016 41.319580999 59.569561022 C 22.860778318 42.795153638 59.477281189 O 23.558971325 43.354105159 60.358001440 C 23.753613126 40.416923498 59.239660487 C 23.287783680 38.970674566 59.409483916 C 24.336616244 37.885743830 59.383656491 O 25.425194424 37.965711153 58.764625721 O 23.944156060 36.824605096 60.038872538 N 22.387210562 43.491130820 58.410912183 C 22.797167006 44.863986001 58.165328000 H 21.965681992 45.497422006 57.900025002 C 23.857481913 45.004922241 57.043231770 C 25.114741195 44.245125259 57.306535260 C 25.462376151 42.954530706 56.951581628 N 26.175616289 44.721500819 58.063353001 C 27.115685795 43.760623328 58.157252938 N 26.696940008 42.675816819 57.493545639 H 25.248242036 49.914023015 59.570440022 C 24.423093961 49.401850984 59.075555979 C 24.089409289 48.170751752 59.933176358 C 25.305606030 47.268063310 60.092860553 N 25.464519947 46.597491560 61.245465171 O 26.138861969 47.155446675 59.147909918 H 19.270630868 31.358207913 59.579210000 C 20.170241197 31.259410179 58.971132012 C 21.207356150 30.463029143 59.775343216 O 21.353182442 30.633628709 61.009041391 C 20.676555188 32.626088282 58.451929932 C 21.517335853 33.380168628 59.421410395 C 22.880950340 33.602054172 59.434170118 N 21.044932221 33.971879777 60.584266977 C 22.078077462 34.526129831 61.254971446 N 23.213125811 34.313423293 60.574294279 N 21.944668760 29.566426821 59.067884345 C 23.024831266 28.754786294 59.656503066 H 22.650573858 28.351390780 60.618668972 C 24.322612934 29.552539277 59.854370100 C 24.879796946 30.079771936 58.527089246 C 25.855411027 31.227627730 58.642985783 O 26.117388268 31.723993324 59.785861811 O 26.356661180 31.655638312 57.538319148 H 25.342343005 28.901556988 65.956376001 C 25.430582994 29.593704008 66.782122987 H 25.235584001 29.098263005 67.755772998 C 24.411375338 30.750372158 66.613291623 C 24.346746678 31.303495455 65.220572043 C 25.150485370 32.195239116 64.533744930 N 23.385994023 30.903232213 64.295990365 C 23.580010755 31.509009945 63.109599223 N 24.657946615 32.295390618 63.242444215 H 24.889819978 37.055719041 67.047362000 C 25.452204013 36.885365929 66.121680994 C 26.290351391 38.160562000 65.910693456 O 25.818318676 39.188425602 65.388128431 C 24.447638906 36.594301947 65.017214741 C 25.015383920 35.990751678 63.747588591 O 26.258097425 35.659421441 63.721834826 O 24.203341653 35.836165490 62.782789320 N 27.575310863 38.130998843 66.382463752 C 28.490866989 39.280094008 66.368273962 C 29.469907127 39.352729173 65.180674909 O 30.239409998 40.321243569 65.065593258 H 29.083429014 39.257538993 67.291201031 N 29.413884397 38.304483315 64.329112946 C 30.123961764 38.219083358 63.054190927 C 29.324338890 37.273880457 62.133616866 O 29.343088668 37.397225889 60.898167461 C 31.582401640 37.748099943 63.218853029 O 28.658856542 36.358199737 62.797399154 O 24.463579253 42.967045197 62.911668133 O 25.744463514 39.026583739 56.153910124 O 24.655199420 31.703930163 54.813232086 O 30.719351213 30.744222901 58.531240307 O 26.357329460 39.243781569 61.780332279 O 24.296180437 40.188181620 63.289350582 O 25.581692357 37.745645232 53.705538878 O 26.976100036 43.389068695 61.966777572 O 28.304884354 41.112724834 61.995543383 O 27.716391732 36.065897676 54.025638620 H 30.699472001 30.376336998 66.032444000 C 31.018906001 30.890758002 65.104315994 H 31.997505994 31.360958001 65.227863995 C 30.075688997 31.992501363 64.581280091 C 28.869920462 31.469046937 63.772548550 C 28.300303849 32.502168079 62.816665176 O 28.087979979 33.688477946 63.246723687 O 28.058413972 32.126207500 61.610201741 H 36.469287001 31.575154001 63.532723999 C 36.987892999 32.139355000 62.737355003 H 37.705291000 32.836250997 63.183208999 C 36.037389844 32.854817705 61.770042323 C 35.323598916 34.069254652 62.384663075 C 34.416784556 34.822803342 61.404682216 N 33.261626027 33.996699027 61.024017040 C 32.129776970 34.467020989 60.484873967 N 32.004472505 35.766500866 60.166859891 N 31.102173643 33.626216992 60.258212128 O 23.991894989 45.671523015 63.479741946 O 29.238869003 29.787565000 60.815742001 O 26.126991205 29.379371969 54.715661156 H 30.835295486 28.026486163 57.888660764 H 28.220916618 26.460877399 58.394478214 H 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32.118817146 61.385140496 H 34.730496454 33.765946553 63.270503380 H 36.081924920 34.788585252 62.749033927 H 34.034616909 35.741487474 61.885127025 H 34.993155098 35.123152395 60.504263220 H 31.184571183 36.054424425 59.624355544 H 32.834569487 36.345680013 60.072457529 H 30.164378030 34.020446231 60.102939379 H 31.114934385 32.718131266 60.718533958 H 24.113133354 44.680506503 63.461093193 H 23.830988998 45.918565994 64.421695998 H 29.869413580 30.056832523 60.104251027 H 28.739420992 30.612738807 61.013433510 H 26.547125976 29.060198611 55.578918101 H 25.756560742 30.295010122 54.866277496 H 29.082928518 39.317363349 59.248690162 H 25.849375659 33.035867718 55.474869890 H 28.578230326 30.708867793 56.447611161 H 33.412218994 32.987401985 60.998136986 H 27.502606126 36.420289654 55.698623284 H 25.094735833 32.877760983 62.485163927 H 20.075156661 33.969542814 60.901880819 H 31.731834972 38.530478961 59.146678142 H 30.545088311 39.867474687 57.343601398 H 31.930620438 40.968566121 57.252107807 H 31.457901583 42.826983781 58.274234102 H 30.559027150 42.978287161 59.760696220 H 33.169908979 39.566184986 58.953843978 C 32.279198052 39.175109993 58.438897028 C 31.382361955 40.290049926 57.928346554 C 30.778674879 41.068387041 59.079417948 N 30.928528058 42.381352975 59.019792044 O 30.154433146 40.500037173 60.014798751 H 32.627285962 38.542108875 57.603947347 N 22.485607614 39.035553161 54.468886668 C 23.022998967 40.393001973 54.533998957 H 22.255798011 41.057584009 54.872573017 C 23.479328015 40.851774283 53.133427006 C 24.633999022 41.823002078 53.204998890 C 25.938999015 41.365001965 52.987000147 C 24.432998982 43.206001929 53.490999064 C 27.012999002 42.258002011 53.019998933 C 25.548999014 44.110002049 53.555998949 C 26.827999000 43.625001971 53.334000059 H 23.805321000 39.972842457 52.544787169 H 22.623396155 41.292478047 52.589047640 H 26.117836887 40.308015640 52.751641516 H 23.413895600 43.587942920 53.638850120 H 28.028396005 41.886241507 52.833582814 H 25.371984926 45.170622182 53.774767969 H 27.695791831 44.295619556 53.369335176 H 21.044552013 36.869196013 54.393027017 C 21.594998962 36.938001967 55.307998980 C 21.963333456 38.393071087 55.544396666 O 21.782974448 38.978246355 56.634398250 C 22.746058101 35.908570133 55.281037074 C 23.419154573 35.813239903 56.653520061 C 22.193980486 34.546931254 54.828943625 H 20.894012063 36.657405117 56.116867623 H 23.501404111 36.241526254 54.540356845 H 22.679225254 35.565434327 57.436839112 H 23.913563332 36.756735587 56.936194552 H 24.183267667 35.017315743 56.667063047 H 21.394656156 34.199727151 55.511402912 H 22.987807140 33.779623696 54.826120649 H 21.766455420 34.599532982 53.811001915 H 23.863659635 40.414185838 55.253162119 H 22.634599896 38.501500958 53.613126919 H 20.945258982 27.056647004 52.914475995 C 21.601000027 26.282000005 53.311999999 C 23.011493264 26.347691796 52.717704816 C 23.743574924 27.668046031 52.955491395 N 23.896204117 28.003636782 54.413999736 H 21.269147747 33.536636863 49.267083834 C 21.496000597 33.330002452 50.313001252 H 22.064080734 34.150799717 50.750806940 C 22.288024707 32.007525093 50.397338591 C 22.665155254 31.674942404 51.832293326 N 21.739184557 31.011172340 52.557634400 O 23.771010230 32.041700355 52.305791896 Cl 21.839000704 30.339999781 55.765998947 H 20.536329657 33.252512703 50.855501220 H 20.845426592 30.759420417 52.140430238 H 21.850976423 30.839750370 53.571451223 H 21.693537447 31.183432255 49.960808090 H 23.225535933 32.087665711 49.820231374 H 23.102274751 28.568349153 54.789849642 H 24.818479270 28.584831786 54.574500102 H 23.976570159 27.153881025 54.989772205 H 22.972096497 26.191180177 51.622931636 H 23.628776559 25.519140556 53.119778936 H 21.133807209 25.305910707 53.090079879 H 21.611715502 26.387409734 54.412876945 H 24.760575123 27.628950076 52.529532505 H 23.213896398 28.517326750 52.490402738 H 23.559351418 50.084416433 59.007889853 H 28.567620315 36.413420002 53.644926369 H 27.118485008 34.040262588 54.981537909 C3 Mn 25.110197509 35.368706119 60.835249704 Mn 27.463361523 35.206269845 62.239713369 Mn 27.148121920 33.404899489 60.162102836 Mn 27.613118953 33.064442751 57.097934624 Ca 27.723240226 36.666455309 59.061883174 O 26.535519472 36.466680522 61.256730816 O 28.331138317 34.706752195 60.717372925 O 26.065896169 33.992531430 61.716684692 O 28.264678562 32.905222171 58.806828942 O 26.019853421 34.669741435 59.338610054 N 26.425446905 33.778692916 55.570750986 O 28.407689186 31.563165876 55.838948700 O 27.098134317 36.664591288 56.650240097 O 28.519522960 38.847174420 58.624051842 H 30.386279009 26.554955987 57.103004992 C 30.312281970 27.064948048 58.050497000 H 30.925319013 26.579769976 58.850733006 C 28.842527810 27.335506353 58.395723310 C 28.195878362 28.298004840 57.387547813 O 28.885004164 29.339019826 57.047136248 O 27.036998956 28.051918546 56.940354149 H 33.765459069 42.205889019 52.647135940 C 33.048043935 41.804451945 53.345646181 H 33.479306000 40.971406027 53.939089935 C 31.729677329 41.418726925 52.657451072 C 30.636061316 41.190947341 53.678730902 C 30.236429071 42.247608952 54.527734283 C 30.045594992 39.928284135 53.882464034 C 29.298706362 42.054240744 55.547390755 C 29.095082745 39.720171650 54.896343029 C 28.709256305 40.780458332 55.750052986 O 27.805715840 40.574768525 56.745925215 H 33.875561012 32.213249997 54.592800001 C 32.897070988 31.686966009 54.550602002 C 31.709772489 32.612416517 54.435956313 O 30.566303043 32.176452857 54.176195544 C 32.747252151 30.768216159 55.784163151 O 32.738513271 31.531693618 56.998443068 N 31.956083552 33.937792045 54.636919040 C 30.924182963 34.954303999 54.514782038 C 31.057970996 35.804010075 53.235208166 O 30.238472626 36.727506092 53.018631049 C 30.743710699 35.781473163 55.800683729 C 29.793348624 35.188932679 56.852855987 O 29.025896373 34.229126790 56.438636046 O 29.753417656 35.700545357 58.000572928 N 32.016240304 35.443024273 52.358916600 C 32.064647013 35.924468010 50.969467982 C 30.860046976 35.427153009 50.158323039 H 21.689022999 40.969417001 58.988049999 C 22.547087996 41.319580996 59.569560999 C 22.888167899 42.787235752 59.459063967 O 23.627442482 43.332252603 60.314781585 C 23.754900619 40.398208773 59.279254822 C 23.334732140 38.942907965 59.513471754 C 24.433156541 37.898457567 59.470758560 O 25.510318411 38.042432103 58.848560277 O 24.102338286 36.807030844 60.117405812 N 22.388715251 43.491363219 58.410705452 C 22.797167008 44.863986000 58.165328002 H 21.965681995 45.497422001 57.900024999 C 23.862629313 45.009856515 57.049448550 C 25.121504427 44.259234525 57.327585082 C 25.490928758 42.980238910 56.954074725 N 26.155212926 44.728769920 58.125517875 C 27.101385471 43.773416134 58.225021946 N 26.711984960 42.700007474 57.525057161 H 25.256200293 50.041349968 59.423239672 C 24.423093992 49.401851003 59.075555997 H 23.611783000 50.074122999 58.796406005 C 24.121577213 48.322052587 60.114031084 C 25.295052356 47.343958720 60.211599400 N 25.483437669 46.679213431 61.362625800 O 26.063402583 47.167897041 59.223722202 H 19.270631050 31.358207894 59.579209823 C 20.170240907 31.259410191 58.971132343 C 21.177871488 30.422832265 59.772895238 O 21.298894536 30.565757573 61.013396175 C 20.752986362 32.629918371 58.525641944 C 21.645507540 33.327896739 59.502619891 C 23.003526510 33.593286056 59.448780129 N 21.224233663 33.886101982 60.702928325 C 22.277688995 34.457366019 61.327699574 N 23.381379961 34.292664192 60.583733765 N 21.931052793 29.544044806 59.060821137 C 23.024831034 28.754785976 59.656502974 H 22.650573985 28.351391003 60.618669027 C 24.299297812 29.589883440 59.860998160 C 24.856760047 30.136400134 58.539851778 C 25.720774566 31.373696916 58.644994366 O 25.952193233 31.873435891 59.796446708 O 26.150710344 31.855405294 57.531137112 H 25.342342967 28.901556931 65.956376009 C 25.430583064 29.593704148 66.782122962 H 25.235583976 29.098262937 67.755773024 C 24.373846232 30.719284799 66.645939193 C 24.281209957 31.286390256 65.265421482 C 25.080067155 32.183794630 64.583589850 N 23.318331273 30.887522116 64.343461660 C 23.506392481 31.502299593 63.160033524 N 24.580996536 32.291247989 63.298398151 H 24.889820030 37.055718999 67.047361976 C 25.452203942 36.885365992 66.121681036 C 26.295450985 38.159702667 65.918376370 O 25.813916350 39.198247025 65.426652207 C 24.469500644 36.598916343 64.983379583 C 25.118433723 36.028091615 63.731588829 O 26.360542174 35.718103399 63.813119424 O 24.379769849 35.887551815 62.694129654 N 27.591628447 38.119199438 66.359305217 C 28.490867006 39.280093997 66.368273990 C 29.478655122 39.403817064 65.193760420 O 30.195457592 40.412370857 65.085244999 H 29.083428999 39.257538999 67.291201012 N 29.493715614 38.348277076 64.351260018 C 30.202352824 38.295882050 63.073643747 C 29.427256712 37.320249920 62.165986071 O 29.404936156 37.440799793 60.931784944 C 31.680115565 37.885784486 63.225905335 O 28.816929734 36.377248342 62.850515767 O 24.484127392 42.990784940 62.901101396 O 25.769928178 39.011439818 56.157347285 O 24.673936099 31.625298619 54.733710161 O 30.447538112 30.919240794 58.484740211 O 26.360694432 39.300617067 61.853585768 O 24.288486233 40.232806459 63.342871791 O 25.581693432 37.745644702 53.705538791 O 27.004339484 43.427210891 61.999786580 O 28.324545798 41.149834441 62.001775765 O 27.717806672 36.094042223 54.055362025 H 30.699472024 30.376337008 66.032444005 C 31.018905916 30.890757964 65.104315984 H 31.997506088 31.360958056 65.227863989 C 30.062713860 31.981432311 64.587207856 C 28.935613323 31.450017889 63.681813309 C 28.354549428 32.512063577 62.768150249 O 28.232924468 33.696690570 63.251581863 O 28.021130252 32.168956846 61.575132331 H 36.469286984 31.575154029 63.532723999 C 36.987893033 32.139354943 62.737354975 H 37.705290984 32.836251009 63.183209005 C 36.032366487 32.861716523 61.780417628 C 35.299971566 34.050875737 62.422016459 C 34.396452013 34.825275255 61.455908418 N 33.261625806 33.996698970 61.024017431 C 32.129777131 34.467020999 60.484873609 N 31.980901144 35.776851695 60.226342687 N 31.122579676 33.618568431 60.194901900 O 23.991895181 45.671523307 63.479742303 O 29.238868987 29.787565003 60.815742022 O 26.131995765 29.285128125 54.753030741 H 30.813427932 28.038586588 57.893070306 H 28.242975183 26.409207093 58.433290725 H 28.765696678 27.824653380 59.387728549 H 32.860458854 42.620791560 54.069054064 H 31.862668318 40.513552746 52.035690531 H 31.436009323 42.233722767 51.965397433 H 30.673197149 43.247147811 54.391547810 H 30.336666674 39.079984376 53.248804033 H 29.012816750 42.894468540 56.189973735 H 28.650886642 38.727353571 55.041575715 H 27.289518988 41.737717647 57.257918150 H 32.908316913 31.049696382 53.645836395 H 33.597822534 30.056123870 55.794136829 H 31.817188180 30.175915596 55.685167912 H 31.910356199 31.311197383 57.507383237 H 32.892092106 34.214165186 54.937313004 H 29.985070697 34.387995592 54.352693126 H 30.305718215 36.764835046 55.539064761 H 31.713336801 35.997477989 56.285337469 H 32.589378549 34.635848686 52.605369289 H 32.090648170 37.029267193 50.985059571 H 33.017032830 35.573841638 50.539307013 H 29.911230768 35.733304349 50.628257315 H 30.878974013 34.326463994 50.066050990 H 30.890786450 35.852430793 49.138930606 H 22.262200854 41.166888187 60.629719155 H 24.598234873 40.666096687 59.940848217 H 24.095414051 40.539728687 58.237312414 H 22.595109957 38.644540203 58.740183787 H 22.825534844 38.840535925 60.489021125 H 21.823457718 43.001688093 57.717212317 H 23.204915399 45.239971275 59.117850876 H 23.445487846 44.646714645 56.092806395 H 24.074264921 46.087324171 56.919724344 H 24.988642808 42.268039673 56.300883945 H 26.191785230 45.679719237 58.597951436 H 28.040118103 43.875961923 58.770784898 H 24.768997181 48.927008714 58.141158740 H 23.235209251 47.724302632 59.819212359 H 23.895465580 48.741531476 61.111012843 H 26.235801296 45.989128122 61.390628395 H 24.810207207 46.623482152 62.147088874 H 19.875701474 30.719895969 58.052966080 H 19.915208467 33.294258249 58.239423201 H 21.348673064 32.462574946 57.610643080 H 23.720121784 33.363886298 58.661776275 H 22.222271908 34.991240845 62.275844256 H 21.840484402 29.569147896 58.033498549 H 23.212704999 27.899717740 58.983338802 H 24.061728555 30.425974150 60.539578219 H 25.061216450 28.974168397 60.374082739 H 25.464483636 29.376830837 58.006141204 H 24.040283604 30.401401314 57.837075394 H 26.455112604 30.003358830 66.786961428 H 23.378562743 30.327615693 66.926547628 H 24.596645585 31.536916226 67.355055681 H 25.953497200 32.749020359 64.908316450 H 22.561232177 30.227013275 64.529809140 H 22.875270332 31.362394432 62.273458194 H 26.105164071 36.015888403 66.307404278 H 23.701964747 35.873804494 65.314418819 H 23.919637458 37.512133704 64.690331948 H 27.916773351 37.261619306 66.806220873 H 27.880973011 40.199790914 66.375132949 H 28.839007684 37.582891017 64.526320135 H 30.146224408 39.292754338 62.599530596 H 31.768823599 36.876271405 63.663628876 H 32.187806970 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53.777136224 H 31.157039233 30.104215002 64.337487122 H 29.640868530 32.568332331 65.423299874 H 30.659700327 32.698966911 63.993467990 H 29.302367828 30.628432124 63.041439117 H 28.096010118 31.035504509 64.276517624 H 37.583460048 31.392229081 62.179260233 H 36.603670643 33.232431698 60.905565660 H 35.308072367 32.124690946 61.376714341 H 34.701595554 33.715111336 63.292502556 H 36.046887306 34.766820441 62.815474533 H 33.993192262 35.719865919 61.963975827 H 34.981715700 35.166943670 60.576459498 H 31.155162200 36.081492449 59.705983519 H 32.790591873 36.390146920 60.196151451 H 30.181869639 33.991889848 60.013624930 H 31.151786697 32.677164761 60.581214347 H 24.122536559 44.681010558 63.455407147 H 23.830988998 45.918565995 64.421696001 H 29.782908303 30.117008926 60.056582422 H 28.665201056 30.561589572 61.020954782 H 26.521507478 28.966384270 55.633073897 H 25.785718416 30.212913578 54.874525634 H 29.120586671 39.328438445 59.252011456 H 25.756524172 33.042191271 55.252679859 H 28.507107194 30.616963181 56.230681759 H 33.412219039 32.987402023 60.998136912 H 27.484338218 36.395390472 55.765894942 H 25.026110294 32.897440407 62.568036317 H 20.274252234 33.852149193 61.073991676 H 31.731941303 38.530118230 59.146169055 H 30.546785099 39.868568076 57.341831576 H 31.931924761 40.969981810 57.254061172 H 31.452474882 42.827618261 58.270748869 H 30.559596325 42.978294037 59.760942516 H 33.169909026 39.566185004 58.953844010 C 32.279197954 39.175110001 58.438896993 C 31.382717465 40.290531276 57.928519693 C 30.778674988 41.068386941 59.079418028 N 30.928529023 42.381353040 59.019792952 O 30.159086147 40.501965857 60.019389961 H 32.627474931 38.542663815 57.603654889 N 22.478805564 39.037982091 54.467415131 C 23.022998768 40.393002173 54.533998649 H 22.255798092 41.057583911 54.872573105 C 23.479954868 40.851275723 53.133717678 C 24.633998972 41.823001925 53.204998995 C 25.938999247 41.365002080 52.986999217 C 24.432999039 43.206002103 53.490998888 C 27.012998745 42.258001892 53.019998801 C 25.548998889 44.110001897 53.555999087 C 26.827999159 43.625002091 53.334000068 H 23.806881986 39.971890906 52.546301505 H 22.624017954 41.291194894 52.588673193 H 26.118075979 40.307903085 52.752427502 H 23.413865788 43.587970780 53.638562170 H 28.028482809 41.886262086 52.833878183 H 25.372015753 45.170573447 53.775012006 H 27.695804629 44.295574359 53.369506933 H 21.044551994 36.869196033 54.393026774 C 21.594998919 36.938001940 55.307999301 C 21.988501728 38.385087903 55.551775020 O 21.866173193 38.952429786 56.659153828 C 22.738568592 35.899030136 55.303466146 C 23.381106360 35.800561037 56.690916540 C 22.189288132 34.540421137 54.839551808 H 20.886663648 36.668616074 56.114799294 H 23.511372569 36.229186415 54.579567457 H 22.627121038 35.538939189 57.456259681 H 23.857587058 36.747859254 56.992136410 H 24.151999547 35.012173413 56.719010687 H 21.381354527 34.191856234 55.511055612 H 22.981489585 33.771031116 54.840478623 H 21.773508254 34.599170816 53.816996649 H 23.862330017 40.410242515 55.254280487 H 22.577846941 38.520952669 53.594288663 H 20.945259011 27.056646974 52.914476007 C 21.600999987 26.282000025 53.311999993 C 23.010117587 26.360710658 52.717948039 C 23.723385647 27.687982005 52.970542098 N 23.856722663 28.007589670 54.434110337 H 22.025547016 34.188969015 49.076754937 C 22.118589010 33.884065034 50.119098150 H 22.670200964 34.631877938 50.688834891 C 22.763185772 32.483800128 50.199645328 C 22.974409601 32.025797831 51.636313167 N 21.946366055 31.386000601 52.240665455 O 24.057375334 32.266264417 52.225061420 Cl 21.839001021 30.339999908 55.765998821 H 21.094107162 33.856652173 50.535434284 H 21.072436768 31.216923143 51.747351137 H 21.987457533 31.122787980 53.232747927 H 22.133538008 31.753740520 49.658060985 H 23.756684314 32.490729776 49.718483106 H 23.077123637 28.601597184 54.799600175 H 24.801024088 28.548231701 54.612282774 H 23.890445290 27.151246863 55.004290641 H 22.972851567 26.211234901 51.622187699 H 23.636279574 25.536724571 53.115694215 H 21.138222051 25.305017356 53.084830672 H 21.608987672 26.383154932 54.413167599 H 24.744255267 27.666136363 52.552492277 H 23.186664983 28.533942864 52.507110282 H 28.574216078 36.423629283 53.670449719 H 25.886660904 34.590646111 55.899708809 D1 Mn 25.041419899 35.439693066 60.833488202 Mn 27.415139437 35.091990916 62.174495030 Mn 27.135670108 33.280613193 60.011798647 Mn 27.562795247 32.952761682 56.852215744 Ca 27.674904424 36.597912071 59.045355060 O 26.550776782 36.450582201 61.281923189 O 28.307139037 34.579405880 60.651012633 O 25.991475510 33.967374088 61.613464789 O 28.230414412 32.868213701 58.505483051 O 25.777473568 34.932653934 59.301209530 O 26.751335746 32.916354186 54.856347906 N 28.876204910 31.577126367 56.017534325 O 27.446368816 37.024415356 56.584781831 O 28.439887093 38.855385364 58.816828561 H 30.386279003 26.554955975 57.103004965 C 30.312281992 27.064948032 58.050497058 H 30.925318992 26.579769994 58.850732983 C 28.837194648 27.168857141 58.468099594 C 28.083281922 28.053674167 57.479290565 O 28.591588741 29.204138305 57.242530406 O 27.018469838 27.627326421 56.921814458 H 33.765459001 42.205889023 52.647135988 C 33.048044023 41.804451953 53.345646032 H 33.479305977 40.971406023 53.939089985 C 31.714844897 41.445249285 52.672676806 C 30.627564057 41.247956370 53.707833445 C 30.236543708 42.323293466 54.536823858 C 30.041239899 39.988673017 53.941477594 C 29.310622812 42.151088608 55.573578150 C 29.104673729 39.799211660 54.970671454 C 28.738990456 40.878558846 55.798963097 O 27.846128738 40.661562376 56.822525206 H 33.875561016 32.213250015 54.592800010 C 32.897070986 31.686965978 54.550601993 C 31.743432607 32.626173006 54.269420680 O 30.689986926 32.235719991 53.722504880 C 32.664260043 30.837036694 55.818159269 O 32.569158211 31.654066847 56.994184077 N 31.929545586 33.915981893 54.669994388 C 30.924182986 34.954304003 54.514781999 C 31.173148214 35.867126117 53.281772994 O 30.530422875 36.922521081 53.143318637 C 30.671601409 35.736717391 55.802866163 C 29.661768314 35.093830335 56.758012654 O 28.912005960 34.186618042 56.208337396 O 29.586449318 35.507726687 57.937110979 N 32.039077114 35.400512963 52.344278319 C 32.064647037 35.924468011 50.969467990 C 30.860046938 35.427152981 50.158323049 H 21.689022999 40.969417003 58.988049998 C 22.547088001 41.319580993 59.569561005 C 22.838592632 42.801252801 59.490460446 O 23.484205937 43.375169678 60.401148157 C 23.759126511 40.431469418 59.232994953 C 23.293249383 38.973701951 59.332333392 C 24.385164445 37.935238594 59.441458320 O 25.455788721 38.001646061 58.785213771 O 24.067587966 36.976346248 60.262976683 N 22.399442846 43.486598943 58.402074032 C 22.797166999 44.863986001 58.165327999 H 21.965681998 45.497422001 57.900025002 C 23.874835115 45.025654720 57.063496802 C 25.153507125 44.318531219 57.368680704 C 25.565946741 43.036139024 57.045505746 N 26.169472995 44.839201285 58.154991225 C 27.136419407 43.897520571 58.285173098 N 26.792599603 42.788790646 57.623528895 H 25.275418341 50.045800761 59.363290678 C 24.423093999 49.401850998 59.075555998 H 23.611782998 50.074123003 58.796406002 C 24.162452713 48.365317425 60.166536999 C 25.361710274 47.416799049 60.279512181 N 25.522509190 46.717716619 61.415720103 O 26.174178154 47.294079283 59.321492013 H 19.270631026 31.358207927 59.579209887 C 20.170240942 31.259410143 58.971132244 C 21.187713444 30.439140478 59.777850716 O 21.314254430 30.589470194 61.015962039 C 20.722163247 32.636218681 58.507625376 C 21.583528101 33.377470117 59.480367378 C 22.934040801 33.678581650 59.430806104 N 21.138221545 33.943488140 60.668646079 C 22.176716758 34.550243574 61.291009006 N 23.285987703 34.404300087 60.556221521 N 21.934945141 29.553834835 59.066524110 C 23.024831031 28.754785990 59.656503008 H 22.650573988 28.351390995 60.618669007 C 24.328123009 29.553160389 59.788807983 C 24.880587619 29.960032932 58.412893996 C 25.790869311 31.173505647 58.398943045 O 25.926213254 31.828525326 59.489602536 O 26.329635272 31.460736850 57.270376076 H 25.342342969 28.901556952 65.956376030 C 25.430583064 29.593704125 66.782122903 H 25.235583975 29.098262934 67.755773050 C 24.394443946 30.736515633 66.629388872 C 24.341731676 31.328180417 65.254184602 C 25.133956018 32.266218637 64.617955042 N 23.421477630 30.925205178 64.291272562 C 23.633156297 31.578204796 63.130822011 N 24.677012832 32.395550260 63.318368014 H 24.889820021 37.055719006 67.047361966 C 25.452203967 36.885365983 66.121681044 C 26.279910558 38.171095847 65.935868148 O 25.785267629 39.217352214 65.473601557 C 24.471300614 36.588467572 64.991609562 C 25.101390148 35.985891325 63.743921991 O 26.330309236 35.626623946 63.808209441 O 24.341219769 35.870418575 62.724024909 N 27.576149418 38.131509278 66.375028202 C 28.490867008 39.280093997 66.368273967 C 29.477679145 39.350573111 65.185206527 O 30.251023096 40.318424455 65.081110127 H 29.083428999 39.257538996 67.291201011 N 29.430447952 38.304256285 64.330827622 C 30.172353819 38.209479453 63.073842949 C 29.455107574 37.179000061 62.173156532 O 29.545110846 37.246992486 60.928798575 C 31.652375528 37.835698558 63.291091550 O 28.798188926 36.273508540 62.842022604 O 24.492610582 42.993024217 62.907294261 O 25.671614732 39.133244885 56.222423014 O 24.651421400 31.432692458 54.658887106 O 30.269799166 30.876398281 58.474760945 O 26.510339256 39.198254911 61.987128287 O 24.337249338 40.209736507 63.315504769 O 25.581692868 37.745644511 53.705538884 O 26.959718097 43.437080343 61.866702788 O 28.333317602 41.193754266 61.992559166 O 27.228559933 35.665551635 54.230495608 H 30.699472031 30.376337018 66.032444030 C 31.018905911 30.890757961 65.104315929 H 31.997506045 31.360958020 65.227864041 C 30.057835863 31.964091945 64.580042123 C 28.815819233 31.399493505 63.865295117 C 28.222642036 32.381574064 62.867595651 O 28.138710814 33.609700617 63.263750156 O 27.854874691 31.967022557 61.724531941 H 36.469287006 31.575153994 63.532723969 C 36.987892977 32.139355014 62.737355050 H 37.705291005 32.836250988 63.183208975 C 36.032948738 32.859825976 61.779746526 C 35.298182566 34.045746777 62.423185957 C 34.397274972 34.822290599 61.457276841 N 33.261626109 33.996698896 61.024016852 C 32.129776890 34.467021072 60.484874175 N 32.007116666 35.772285080 60.188807995 N 31.103385849 33.631183075 60.224673037 O 23.991895176 45.671523301 63.479742305 O 29.238868988 29.787564990 60.815742011 O 26.225940708 29.041314855 54.856092915 H 30.736179398 28.074545295 57.913382422 H 28.358800254 26.175336093 58.525357268 H 28.759141103 27.648619460 59.463572679 H 32.876551712 42.621169429 54.073660908 H 31.818383631 40.534178939 52.054352581 H 31.432642640 42.264713436 51.981430607 H 30.670783835 43.320042462 54.375160750 H 30.327824158 39.125910429 53.327191046 H 29.026689822 43.000229019 56.204525161 H 28.664729241 38.810876687 55.153424001 H 27.465668389 41.622203662 57.246168927 H 32.958620026 30.986347300 53.696965735 H 33.509176269 30.123316424 55.914265376 H 31.741364259 30.238908055 55.682572171 H 31.803067685 31.332771132 57.539836849 H 32.801731107 34.150812228 55.145272905 H 29.985767817 34.428615278 54.252557371 H 30.242224174 36.720957704 55.534954339 H 31.605892583 35.939092260 56.357557374 H 32.468327245 34.491698732 52.513907335 H 32.068677270 37.027131229 51.025746576 H 33.017429239 35.607048266 50.512495483 H 29.913039469 35.727085748 50.638932412 H 30.878974016 34.326464014 50.066050990 H 30.878559226 35.855224388 49.139390724 H 22.279172377 41.128536178 60.626910673 H 24.583895149 40.631951359 59.940834867 H 24.135488725 40.653162898 58.218224506 H 22.686152035 38.722375657 58.437513512 H 22.631111384 38.847412871 60.206753405 H 21.915689745 42.970679809 57.667106745 H 23.193201947 45.236867076 59.124394335 H 23.480605726 44.641864706 56.104636373 H 24.053487696 46.108188483 56.923421747 H 25.071888220 42.295989603 56.414545508 H 26.200715615 45.794927129 58.595830916 H 28.067736957 44.055676537 58.832358261 H 24.731470390 48.888668454 58.148112258 H 23.280172575 47.738955499 59.923590249 H 23.953392400 48.824165093 61.150322080 H 26.283696891 46.036438258 61.442402811 H 24.824852746 46.623828898 62.175256240 H 19.877628394 30.705714798 58.060674636 H 19.867533246 33.268900500 58.199458862 H 21.331685792 32.470956626 57.601406306 H 23.665399224 33.450855134 58.656439297 H 22.104968239 35.092067231 62.233648740 H 21.841554094 29.578459508 58.040060942 H 23.174906359 27.885711430 58.989695400 H 24.137216875 30.453144129 60.396404339 H 25.075933809 28.951159477 60.338066775 H 25.434684149 29.128923667 57.934946090 H 24.055446374 30.205547480 57.712276709 H 26.460286934 29.991341486 66.788376055 H 23.386227972 30.357380228 66.880821550 H 24.611383196 31.542264627 67.353794066 H 25.977102454 32.850139672 64.987081900 H 22.677765990 30.239726982 64.434126192 H 23.031497490 31.447754982 62.224707047 H 26.114531647 36.022756858 66.307171546 H 23.697242222 35.878178596 65.339361094 H 23.929313643 37.501590589 64.684655155 H 27.912186557 37.260227049 66.785670375 H 27.895239679 40.208778963 66.357566209 H 28.738711718 37.568097096 64.490682357 H 30.116453447 39.185576927 62.557182329 H 31.743771093 36.842780243 63.765291380 H 32.124482781 38.587972934 63.944901858 H 32.191247637 37.828871145 62.329096510 H 24.012221724 43.017666578 62.029814801 H 25.449203500 43.127500584 62.611768310 H 26.421875803 39.778431753 56.368363455 H 25.430552898 38.856102724 57.148595325 H 28.219959813 39.500795950 58.094061046 H 23.823135421 31.271478792 55.182362857 H 24.341186007 31.557814070 53.700321864 H 29.614092773 31.624266703 58.571930876 H 29.710268484 30.138397473 58.051390278 H 29.754751326 31.608132717 56.547856297 H 25.654083826 39.495315449 62.415854180 H 26.439814816 38.226373193 61.805860254 H 24.407022589 41.205233341 63.275492486 H 24.714345957 39.947555284 64.191050013 H 25.337184448 38.425355525 54.374385648 H 25.176702340 37.945529351 52.836799298 H 26.712637981 43.510322063 60.924163404 H 27.514160016 42.580311961 61.901350066 H 26.814431182 37.746580692 56.329822810 H 27.717841644 40.403223340 61.941995632 H 29.015156498 41.045179459 61.287276010 H 26.843395523 34.787027743 54.457773677 H 26.480622412 36.263687783 53.975097390 H 31.157215468 30.100920667 64.340164259 H 29.753632203 32.654410087 65.388120046 H 30.615087439 32.586127319 63.853572420 H 29.069554787 30.477365944 63.314047641 H 28.021893493 31.131876700 64.590754717 H 37.584346314 31.391704729 62.180606605 H 36.604461582 33.233112207 60.906114653 H 35.310369166 32.122217167 61.374360604 H 34.697568634 33.706400441 63.290763437 H 36.043650171 34.760731649 62.821264380 H 33.996645730 35.716026306 61.969841820 H 34.984269287 35.166493257 60.580281548 H 31.075805085 36.194709154 60.101061251 H 32.771888494 36.412079059 60.381967222 H 30.156845959 34.022748796 60.085989608 H 31.127314199 32.702006361 60.640236568 H 24.137395808 44.681992219 63.457013271 H 23.830989001 45.918565998 64.421695995 H 29.743693129 30.174652002 60.059080326 H 28.661919870 30.528513526 61.126268761 H 26.575331301 28.604406395 55.717729823 H 25.952653055 29.964425979 55.068435718 H 29.104665480 39.322251176 59.388473057 H 25.850892965 32.414433477 54.876399778 H 28.528515949 30.601631919 56.119444746 H 33.412218993 32.987402051 60.998137012 H 27.421293406 36.403194425 55.795991445 H 25.142209380 33.030320637 62.585437732 H 20.186733535 33.894275752 61.032670326 H 31.738258082 38.522706266 59.144252673 H 30.528286599 39.844099243 57.359361912 H 31.901326488 40.955727446 57.237191572 H 31.414166838 42.831138646 58.247382310 H 30.559347532 42.977397134 59.761311473 H 33.169909008 39.566185006 58.953844025 C 32.279197973 39.175110008 58.438896952 C 31.368258279 40.280868850 57.929246640 C 30.778675014 41.068386966 59.079418010 N 30.928528999 42.381353022 59.019792991 O 30.188344492 40.507662436 60.042854341 H 32.628143649 38.546121426 57.601250097 N 22.486176653 39.035085778 54.474914277 C 23.022998826 40.393002089 54.533998859 H 22.255798052 41.057583953 54.872573017 C 23.478604572 40.851514346 53.132967409 C 24.633999009 41.823001873 53.204999140 C 25.938999089 41.365002196 52.986998746 C 24.432999008 43.206002063 53.490998948 C 27.012998925 42.258001883 53.019999168 C 25.548998970 44.110001958 53.555999029 C 26.827999043 43.625002072 53.333999938 H 23.804775926 39.972969966 52.543839837 H 22.622993176 41.292001332 52.587713886 H 26.118310868 40.307011583 52.756227382 H 23.414022281 43.587633672 53.640612294 H 28.028783743 41.885686881 52.836455615 H 25.372165781 45.170252496 53.776746725 H 27.696109799 44.295065572 53.371110759 H 21.044552007 36.869196006 54.393026966 C 21.594998951 36.938001995 55.307999034 C 21.908359928 38.409541510 55.534099720 O 21.630573712 39.018231844 56.589568043 C 22.791077354 35.966950263 55.237563487 C 23.572672722 35.966156783 56.551376774 C 22.292397822 34.559151360 54.871642188 H 20.918411986 36.624860879 56.124761699 H 23.472772453 36.305939778 54.430641816 H 22.912981665 35.698760907 57.398856028 H 24.006580900 36.957417941 56.763664321 H 24.402936929 35.240657174 56.523461701 H 21.603533976 34.170010289 55.645675062 H 23.137217630 33.852161807 54.791114745 H 21.751677365 34.554826765 53.907136692 H 23.864781790 40.420518643 55.252345604 H 22.725483340 38.468424720 53.661673324 H 20.945259010 27.056646981 52.914476006 C 21.600999988 26.282000017 53.311999993 C 23.013250237 26.379933688 52.728508266 C 23.707392873 27.712160514 53.005246385 N 23.834128620 27.999535974 54.477104422 H 22.025547038 34.188969023 49.076754999 C 22.118588909 33.884064924 50.119098000 H 22.670201041 34.631878047 50.688835002 C 22.760232676 32.482849888 50.189024893 C 22.921285297 31.952617221 51.607986660 N 21.802166718 31.555019398 52.254903187 O 24.057912131 31.899947536 52.141233939 Cl 21.839001015 30.339999932 55.765998837 H 21.092357252 33.859990365 50.531685395 H 20.887710825 31.616231451 51.812229663 H 21.835534332 31.235474932 53.230328540 H 22.146799064 31.770056249 49.605327196 H 23.768736497 32.495854221 49.742180631 H 23.092038795 28.645428212 54.837690773 H 24.814269132 28.451426625 54.679873133 H 23.786271273 27.135121573 55.033626995 H 22.983783811 26.244499408 51.630742698 H 23.646150025 25.557937010 53.119708271 H 21.147282109 25.304107539 53.070761070 H 21.596894339 26.372217093 54.414075638 H 24.728599947 27.713963412 52.587757623 H 23.157841307 28.557983574 52.557301314 H 29.145618337 31.782215235 55.044920707 H 27.270808024 32.453463803 54.168879467 O 26.256250660 34.161540004 56.999217681 H 25.936829116 34.461610892 57.928358427 D2 Mn 24.903199364 35.480159243 60.865223403 Mn 27.362878819 35.101417442 62.120643024 Mn 27.496911894 33.121382947 60.070208424 Mn 27.803214847 32.977338044 57.208578069 Ca 27.706409675 36.540892741 59.038504723 O 26.499580811 36.421705765 61.192088082 O 28.422050510 34.582822685 60.737143100 O 26.000214336 33.978602770 61.386247724 O 28.759322477 32.372065954 59.092470144 O 27.070036413 34.062208946 58.525689752 O 26.367857821 33.728222137 55.604597271 N 28.468693099 31.665256388 55.780798107 O 27.257546658 36.781662647 56.639677997 O 28.462672572 38.794929643 58.670526545 H 30.386279013 26.554955965 57.103004940 C 30.312281991 27.064948061 58.050497099 H 30.925318992 26.579769980 58.850732961 C 28.834850105 27.289031462 58.391635894 C 28.188980495 28.212814423 57.348612744 O 28.888626290 29.216227715 56.959700912 O 27.019927698 27.954966818 56.915199645 H 33.765459007 42.205889013 52.647135997 C 33.048044993 41.804449969 53.345646015 H 33.479306003 40.971406006 53.939089994 C 31.733958345 41.400915225 52.656833542 C 30.639093187 41.157617997 53.674820641 C 30.240095547 42.205056566 54.535500502 C 30.038838502 39.895636468 53.860041572 C 29.297288083 42.004231002 55.548614195 C 29.080919891 39.680238711 54.866397468 C 28.699130209 40.731749059 55.732857211 O 27.793433520 40.519967417 56.725303693 H 33.875560974 32.213249972 54.592799984 C 32.897071026 31.686966039 54.550602012 C 31.748251776 32.639881967 54.322536810 O 30.655391308 32.248669392 53.862881382 C 32.699301727 30.800445037 55.794311146 O 32.702361682 31.575005088 56.995485162 N 31.969143328 33.949602181 54.645115544 C 30.924182999 34.954303975 54.514782010 C 30.984514232 35.756867486 53.205972748 O 30.062650755 36.567203848 52.946940315 C 30.789933787 35.829318256 55.773487907 C 29.910120954 35.223152311 56.881740232 O 29.192342048 34.215570882 56.518333341 O 29.897120567 35.760604027 58.021845374 N 32.002392143 35.477393469 52.367889616 C 32.064647001 35.924468068 50.969468039 C 30.860047037 35.427152827 50.158322939 H 21.689022999 40.969417003 58.988049997 C 22.547088000 41.319580998 59.569560996 C 22.850065152 42.797636879 59.484907474 O 23.544499224 43.355321810 60.370814111 C 23.748572028 40.431963171 59.238771828 C 23.253337999 38.988526894 59.350619668 C 24.345182870 37.981684280 59.580480092 O 25.423853995 38.015996519 58.941693132 O 24.012211448 37.123262643 60.511616481 N 22.377897067 43.494870764 58.419716231 C 22.797167001 44.863985995 58.165327995 H 21.965681998 45.497422001 57.900025002 C 23.853088975 44.982428288 57.035407557 C 25.104459396 44.208239190 57.292469789 C 25.443592591 42.914782761 56.936895229 N 26.172692242 44.677971715 58.043056502 C 27.105786820 43.708945450 58.132868374 N 26.679641590 42.625713746 57.472022486 H 25.248241999 49.914022999 59.570440001 C 24.423093998 49.401850999 59.075556000 C 24.091958438 48.170127646 59.933141334 C 25.283675809 47.226723456 60.046731465 N 25.426360138 46.500829579 61.167850016 O 26.099211785 47.123734316 59.085668662 H 19.270630957 31.358207952 59.579209949 C 20.170241060 31.259410080 58.971132100 C 21.193411422 30.446722719 59.776301727 O 21.322083492 30.600183891 61.014220890 C 20.679164493 32.656340116 58.536051444 C 21.469629814 33.411557663 59.553533597 C 22.820628620 33.689596244 59.567520839 N 20.969995843 34.014953487 60.702877657 C 21.986952722 34.627966131 61.359030219 N 23.127250969 34.448288239 60.682815756 N 21.940494306 29.560429331 59.066360015 C 23.024831026 28.754785985 59.656502951 H 22.650573987 28.351391010 60.618669039 C 24.320635252 29.554766831 59.844407246 C 24.865338137 30.067354938 58.509017216 C 25.890716436 31.178786790 58.588446086 O 26.175096231 31.673951114 59.733380525 O 26.395372666 31.563314822 57.479466935 H 25.342342989 28.901556990 65.956376051 C 25.430583031 29.593704075 66.782122878 H 25.235583985 29.098262947 67.755773058 C 24.424025059 30.760192766 66.597032492 C 24.379764221 31.324996271 65.205184379 C 25.176493419 32.241970312 64.541684544 N 23.436695145 30.926489123 64.261317804 C 23.636608295 31.558823164 63.088741172 N 24.699163244 32.360457199 63.245453998 H 24.889819984 37.055719023 67.047362024 C 25.452204005 36.885365971 66.121680977 C 26.281453658 38.169298361 65.933139145 O 25.789396546 39.214523392 65.465443284 C 24.462812071 36.584323869 65.002163565 C 25.074199588 35.961200618 63.759328286 O 26.307676268 35.632480326 63.778248844 O 24.289534410 35.793849608 62.766343323 N 27.575917764 38.130636280 66.377462995 C 28.490866998 39.280093999 66.368274013 C 29.458785871 39.361305374 65.173885407 O 30.211861951 40.342959863 65.048556389 H 29.083429001 39.257538998 67.291200990 N 29.412356773 38.309628253 64.328335517 C 30.111615083 38.231332773 63.047448904 C 29.344229866 37.229585122 62.154946543 O 29.359848008 37.345219583 60.915638037 C 31.594060092 37.845220158 63.211671890 O 28.715527888 36.305471907 62.832434841 O 24.381114425 42.959621632 62.945984981 O 25.683542696 38.977898174 56.256326239 O 24.708471644 31.704120325 54.755574402 O 30.606389948 30.636289076 58.440044198 O 26.508203859 39.211425262 61.986951040 O 24.301821548 40.158959890 63.319763225 O 25.581691959 37.745645159 53.705539030 O 26.689038236 43.447307172 61.585430447 O 28.227379502 41.314073188 61.840049865 O 27.480155167 35.826748961 54.036640049 H 30.699472034 30.376337013 66.032444043 C 31.018905927 30.890757967 65.104315911 H 31.997506042 31.360958021 65.227864045 C 30.064770930 31.976376743 64.587279505 C 28.805228130 31.429444341 63.883947223 C 28.229095570 32.435403605 62.905312310 O 28.043515109 33.634966147 63.312332150 O 27.972193004 32.035505429 61.716131924 H 36.469286995 31.575154013 63.532724005 C 36.987893006 32.139354993 62.737354990 H 37.705290995 32.836251003 63.183209004 C 36.021465222 32.875085532 61.801485642 C 35.253697580 34.014512397 62.491161807 C 34.353552616 34.824622871 61.551779545 N 33.261626086 33.996699093 61.024017189 C 32.129776942 34.467020936 60.484873830 N 31.940904414 35.783066265 60.301210562 N 31.185021212 33.592096402 60.103254945 O 23.991894998 45.671522994 63.479742001 O 29.238869013 29.787564998 60.815742009 O 26.126619130 29.293703848 54.810983115 H 30.796531173 28.044786138 57.899143913 H 28.267553015 26.342771455 58.442381489 H 28.732605716 27.793039307 59.373723462 H 32.853514157 42.620424398 54.067205092 H 31.881116760 40.497515490 52.035563291 H 31.429481534 42.210835254 51.963184964 H 30.681940539 43.204218674 54.413931627 H 30.324892024 39.053612646 53.214622263 H 29.015917934 42.837107679 56.202290324 H 28.627739282 38.689581978 54.998551137 H 27.272070276 41.638128987 57.194199496 H 32.936615216 31.019416821 53.669079285 H 33.518987312 30.050204599 55.810744692 H 31.746360485 30.243483227 55.689347347 H 31.944865219 31.238090378 57.562372917 H 32.845797746 34.196165070 55.106542388 H 29.983074904 34.379826268 54.415361119 H 30.306984147 36.787445551 55.500792756 H 31.775984487 36.092931065 56.198910687 H 32.660816094 34.761536425 52.677135334 H 32.105449826 37.030065583 50.953679841 H 33.015518518 35.552910567 50.553935784 H 29.911798240 35.737793987 50.624106263 H 30.878805962 34.326456122 50.066354015 H 30.897284595 35.849725381 49.137869357 H 22.277301253 41.134590363 60.627676524 H 24.574412852 40.625593182 59.947116532 H 24.129464208 40.641959192 58.223427156 H 22.707994239 38.709101147 58.425869696 H 22.533951802 38.897845569 60.182836905 H 21.857684510 42.989620623 57.702290997 H 23.216175817 45.236788836 59.113838293 H 23.412712930 44.625275530 56.086793113 H 24.084775033 46.054916557 56.897670638 H 24.908079407 42.196960052 56.317197136 H 26.243137518 45.641773547 58.484189246 H 28.058577148 43.807268941 58.653900599 H 24.736370605 49.119482428 58.057828677 H 23.265180799 47.585280664 59.482154531 H 23.745948172 48.465141812 60.940587790 H 26.172051565 45.799580818 61.208683096 H 24.759816919 46.482687039 61.957132285 H 19.883932233 30.710418464 58.056016391 H 19.810031526 33.255562452 58.203591564 H 21.330669261 32.530616623 57.652979799 H 23.575836426 33.438820540 58.825546974 H 21.873737722 35.200380913 62.279395916 H 21.842936010 29.578238595 58.040612796 H 23.190213269 27.896777275 58.980434380 H 24.121046133 30.405358014 60.517044870 H 25.071841501 28.919724597 60.350204385 H 25.328359242 29.251894042 57.919744357 H 24.043698363 30.467065627 57.880363319 H 26.467747309 29.972881293 66.790758917 H 23.405331638 30.414857004 66.855048723 H 24.659621104 31.578572066 67.301137089 H 26.030203876 32.822807628 64.890439252 H 22.682022188 30.257999185 64.426387468 H 23.011667917 31.429686813 62.197392929 H 26.113973146 36.022149598 66.307634461 H 23.680417792 35.890159930 65.362761366 H 23.930342433 37.499799691 64.684282201 H 27.910881794 37.260558011 66.791541965 H 27.892038094 40.207106690 66.366554407 H 28.730013731 37.567484982 64.501013232 H 30.048827540 39.217267604 62.550916865 H 31.694903791 36.839460352 63.655654937 H 32.087942845 38.577937926 63.871909998 H 32.103964396 37.860059471 62.234626766 H 23.896945122 42.985455410 62.071944550 H 25.322883528 43.104891423 62.621164764 H 26.464986267 39.612136342 56.372276443 H 25.399332659 38.785245702 57.188871746 H 28.223331443 39.446951625 57.949435410 H 23.904631597 31.473723194 55.284475027 H 24.350229165 31.767311681 53.809530693 H 29.960677817 31.377898177 58.674959891 H 30.028113098 30.017579632 57.885612348 H 29.335791775 31.938400222 55.291232012 H 25.638984682 39.483416043 62.404327589 H 26.435410016 38.255870979 61.741657441 H 24.342515577 41.155224812 63.292322394 H 24.695061883 39.899128344 64.189636790 H 25.338603450 38.416529227 54.384240692 H 25.176702994 37.945528880 52.836798942 H 27.317359505 42.645386050 61.641328124 H 26.205090090 43.305135039 60.747795588 H 26.676099134 37.552498831 56.380238271 H 27.655716070 40.491316550 61.848720215 H 28.950199087 41.119520275 61.186967865 H 26.717182223 34.302385194 54.877943198 H 26.841442211 36.555877812 53.797894359 H 31.151465592 30.104703023 64.335794068 H 29.775319065 32.669916120 65.398105853 H 30.624415934 32.590483285 63.855859290 H 29.041429067 30.511557954 63.318858218 H 28.018710257 31.168263371 64.618434556 H 37.577941855 31.396640765 62.168159570 H 36.588093753 33.297335609 60.947162224 H 35.318674853 32.137742922 61.362373195 H 34.646255095 33.618303006 63.329432600 H 35.978403734 34.721409652 62.939106774 H 33.910000407 35.673039020 62.104361737 H 34.956009268 35.241685095 60.717403297 H 31.108919763 36.088558773 59.788736866 H 32.732281507 36.420017886 60.312638979 H 30.252708747 33.902121834 59.807612130 H 31.232900063 32.632109742 60.436077729 H 24.081116438 44.676620783 63.464799110 H 23.830989000 45.918566000 64.421696001 H 29.808903019 30.019851911 60.044310286 H 28.753390475 30.619233256 61.021689238 H 26.519428691 28.916009270 55.676111616 H 25.778147991 30.209739942 54.980214761 H 29.069145679 39.279685049 59.285569666 H 25.737785364 33.050609311 55.220946747 H 28.567893465 30.688399255 56.156146226 H 33.412218958 32.987401949 60.998136955 H 27.434886512 36.313956505 55.781272517 H 25.139074391 32.966964887 62.490470851 H 19.998718450 34.001547283 61.013956998 H 31.733799140 38.527949266 59.145442020 H 30.536127586 39.856686588 57.353856205 H 31.917661803 40.962545536 57.244764645 H 31.446762187 42.828300749 58.267324291 H 30.557314237 42.978128217 59.759814416 H 33.169909014 39.566185004 58.953844012 C 32.279197975 39.175109995 58.438896982 C 31.376774729 40.285949142 57.928986773 C 30.778675023 41.068387004 59.079418021 N 30.928527994 42.381353002 59.019791990 O 30.158913571 40.504649281 60.020509835 H 32.627001189 38.542364297 57.603673765 N 22.488312965 39.034490449 54.472922389 C 23.022999116 40.393001980 54.533999151 H 22.255797939 41.057584003 54.872572916 C 23.478839211 40.851842314 53.133293533 C 24.633998945 41.823001956 53.204999052 C 25.938999019 41.365002046 52.986999848 C 24.432999024 43.206002039 53.490998970 C 27.012999043 42.258001943 53.019999213 C 25.548999007 44.110001986 53.555999076 C 26.827998961 43.625002036 53.333999847 H 23.804417713 39.973326453 52.543975705 H 22.622655052 41.292440454 52.589210303 H 26.117828957 40.307078538 52.755833563 H 23.413913177 43.587579064 53.640038090 H 28.028529661 41.885444959 52.835745667 H 25.372214867 45.170352122 53.776388063 H 27.695912569 44.295480172 53.370339206 H 21.044551964 36.869195991 54.393027080 C 21.594999045 36.938002014 55.307998887 C 21.922663512 38.404152837 55.536381756 O 21.660960533 39.010646791 56.597142735 C 22.770439410 35.943027709 55.193900338 C 23.523349528 35.808986304 56.515507095 C 22.235600946 34.583105520 54.713713448 H 20.922783947 36.622869493 56.127170549 H 23.476691981 36.321737984 54.426574715 H 22.857924424 35.429794442 57.312639879 H 23.931545813 36.773617664 56.859333651 H 24.369559607 35.108209124 56.421459101 H 21.488741180 34.181349006 55.425580234 H 23.052978429 33.845145201 54.637238271 H 21.749651848 34.658867463 53.723281375 H 23.864023481 40.418687144 55.253870920 H 22.712834237 38.474380978 53.651019629 H 20.945258998 27.056646999 52.914476000 C 21.601000006 26.281999998 53.311999999 C 23.014654890 26.359258073 52.727832069 C 23.733700289 27.682756510 52.985356182 N 23.862104627 28.004585008 54.448524948 H 21.269147970 33.536636983 49.267083969 C 21.496001077 33.330002067 50.313001044 H 22.064080967 34.150799954 50.750806989 C 22.282972935 32.003783491 50.389852557 C 22.672639311 31.653772041 51.817561261 N 21.722760426 31.061558643 52.572402461 O 23.816674436 31.937963462 52.256419874 Cl 21.839000982 30.339999977 55.765998982 H 20.536257531 33.254390353 50.855675779 H 20.800693697 30.876286368 52.182939147 H 21.852501421 30.878005583 53.582652951 H 21.679657085 31.185322096 49.954094599 H 23.216045720 32.080148397 49.805511506 H 23.079456448 28.595832878 54.811431107 H 24.801540232 28.552049228 54.632404347 H 23.899654529 27.150068409 55.021256954 H 22.984423204 26.211561994 51.631543227 H 23.634264992 25.531695063 53.128446993 H 21.139675578 25.305219087 53.080672656 H 21.603084759 26.380807073 54.413479074 H 24.756412225 27.654610624 52.572215386 H 23.203975790 28.531272800 52.519059036 H 23.558945004 50.084445738 59.012452171 H 27.741782128 31.626837668 55.057050238 O 25.068294070 35.290548849 59.106885207 H 25.769835765 34.605889444 58.786366654 H 28.355629933 36.098830883 53.652519907 D3 Mn 25.038236525 35.422600561 60.881994721 Mn 27.422993769 35.069526130 62.198635240 Mn 27.163821887 33.271759543 60.011606694 Mn 27.527637978 32.980443611 56.769019783 Ca 27.698270871 36.614236152 59.141299113 O 26.540117307 36.437852728 61.328968092 O 28.326241265 34.582262293 60.677158504 O 26.003817653 33.949737168 61.629265552 O 28.201735086 32.899851838 58.494690672 O 25.798512121 34.946985167 59.338751563 O 26.907160367 33.030024080 54.979250523 N 28.817341092 31.621878713 56.057240983 O 27.115008482 36.676327481 56.532421249 O 28.507332594 38.805390816 58.679497192 H 30.386278994 26.554955992 57.103004966 C 30.312282011 27.064947991 58.050497064 H 30.925318983 26.579770014 58.850732980 C 28.836936602 27.192907764 58.462694893 C 28.091434586 28.110641974 57.493493409 O 28.618824696 29.260421071 57.281183691 O 27.015817658 27.717771511 56.938263952 H 33.765459009 42.205889013 52.647135986 C 33.048044000 41.804451974 53.345646038 H 33.479305988 40.971406015 53.939089984 C 31.718047426 41.442761505 52.667874582 C 30.624692728 41.228263542 53.693649095 C 30.236199427 42.283180340 54.549504931 C 30.020084562 39.970414875 53.883522070 C 29.295375782 42.091263950 55.569050326 C 29.068397719 39.762258781 54.895294684 C 28.703354530 40.820553856 55.750732565 O 27.794001743 40.590060723 56.755946619 H 33.875561012 32.213250011 54.592800008 C 32.897070988 31.686965980 54.550601995 C 31.742369824 32.625151300 54.267066466 O 30.691969134 32.236648444 53.718605052 C 32.659976779 30.849327191 55.826540995 O 32.581134414 31.676282431 56.997774636 N 31.927784354 33.915818857 54.673709867 C 30.924182976 34.954304003 54.514782001 C 31.183726856 35.870198281 53.285577923 O 30.561149274 36.938805358 53.157053420 C 30.670438990 35.744618993 55.800266688 C 29.635959989 35.141583910 56.754982511 O 28.857298950 34.255322901 56.202992068 O 29.552167291 35.579254005 57.922637714 N 32.038583169 35.395219842 52.342696743 C 32.064647061 35.924468017 50.969467983 C 30.860046899 35.427152957 50.158323078 H 21.689022999 40.969417002 58.988049998 C 22.547087999 41.319580996 59.569561008 C 22.849322899 42.798579773 59.484345801 O 23.518948173 43.365272122 60.382308910 C 23.761183576 40.424283375 59.257402858 C 23.301336767 38.968841689 59.397192807 C 24.390076563 37.927299546 59.509667800 O 25.470018153 37.994156415 58.864904724 O 24.059397282 36.960304672 60.314394341 N 22.391434464 43.489609211 58.408037651 C 22.797166998 44.863986001 58.165328006 H 21.965681998 45.497422001 57.900025001 C 23.870061758 45.010303242 57.056552550 C 25.134830775 44.272682026 57.348005955 C 25.521239605 42.989195942 56.999248708 N 26.161565081 44.758710868 58.142631917 C 27.110692819 43.797280239 58.252863696 N 26.743724199 42.708107103 57.570291352 H 25.264325770 50.044264345 59.397638928 C 24.423093990 49.401851004 59.075555998 H 23.611783005 50.074123000 58.796406002 C 24.142288052 48.338332393 60.135744135 C 25.330511586 47.375842095 60.239609073 N 25.502982450 46.692015241 61.383436174 O 26.122510226 47.228379579 59.268001565 H 19.270631061 31.358207984 59.579209914 C 20.170240897 31.259410039 58.971132190 C 21.182668426 30.432124523 59.776879309 O 21.308262647 30.581549645 61.015535387 C 20.733203289 32.635753973 58.522581657 C 21.586717525 33.367504915 59.509104155 C 22.944718067 33.633165882 59.488721557 N 21.126090686 33.974151111 60.671180155 C 22.162053872 34.573758375 61.303597441 N 23.286351645 34.382630360 60.600968124 N 21.927908218 29.545277459 59.065929648 C 23.024831018 28.754785989 59.656502985 H 22.650573990 28.351391006 60.618669022 C 24.322888398 29.569878608 59.776726790 C 24.862721720 29.995579563 58.397420208 C 25.756126274 31.223818867 58.385624055 O 25.927175105 31.843727908 59.489243688 O 26.237436702 31.563382457 57.240320248 H 25.342342975 28.901556956 65.956376008 C 25.430583045 29.593704087 66.782122956 H 25.235583983 29.098262958 67.755773026 C 24.387898997 30.730967951 66.631952574 C 24.328556544 31.317780757 65.255595042 C 25.122601811 32.249280248 64.612812016 N 23.404176883 30.913262618 64.297443420 C 23.615048474 31.558982713 63.132752244 N 24.662741417 32.372931230 63.313982513 H 24.889819994 37.055719015 67.047361977 C 25.452204011 36.885365984 66.121681033 C 26.282303040 38.168279160 65.927488537 O 25.794081776 39.209387285 65.447597648 C 24.469403185 36.579415171 64.999256887 C 25.103455610 35.958303024 63.766438706 O 26.330439968 35.600638824 63.834211575 O 24.340709555 35.830524716 62.747398821 N 27.575527397 38.131549602 66.376730861 C 28.490866975 39.280093996 66.368273966 C 29.477735013 39.350722007 65.187103245 O 30.239507485 40.326107735 65.071548832 H 29.083429016 39.257538991 67.291201008 N 29.443456025 38.293335338 64.346438392 C 30.176139418 38.199821348 63.085093900 C 29.441156803 37.178835573 62.190271748 O 29.496861025 37.268807084 60.943831787 C 31.655733509 37.817681493 63.289113904 O 28.804728503 36.261699250 62.860696388 O 24.491289760 42.991339610 62.906989966 O 25.673525127 38.946892435 56.284570337 O 24.693692162 31.416983088 54.644483209 O 30.265608282 30.979227059 58.503401897 O 26.472425470 39.201755950 61.956344467 O 24.321563804 40.212528112 63.313490705 O 25.581693204 37.745644785 53.705538540 O 26.977991914 43.425365170 61.908702141 O 28.327719914 41.164928967 61.991011747 O 27.314392606 35.594053094 54.123183270 H 30.699472028 30.376337024 66.032444005 C 31.018905911 30.890757958 65.104315969 H 31.997506047 31.360958025 65.227864030 C 30.055304794 31.959475926 64.582315537 C 28.810317623 31.386325430 63.880421620 C 28.218462884 32.364733941 62.881580208 O 28.141826120 33.594381407 63.279671899 O 27.849829412 31.954358302 61.739202119 H 36.469287012 31.575153980 63.532723953 C 36.987892961 32.139355044 62.737355082 H 37.705291011 32.836250979 63.183208969 C 36.034522888 32.857600513 61.776612970 C 35.304291212 34.049498753 62.413810199 C 34.402416947 34.821740883 61.445336167 N 33.261626114 33.996698829 61.024016734 C 32.129776872 34.467021109 60.484874274 N 32.005593923 35.775093135 60.198479416 N 31.105935711 33.631954642 60.216613586 O 23.991895208 45.671523301 63.479742307 O 29.238868986 29.787564990 60.815742005 O 26.222092992 29.091367835 54.809743351 H 30.745423880 28.070898402 57.910783107 H 28.337775927 26.208797970 58.503177154 H 28.766288336 27.658332216 59.465570975 H 32.874437658 42.621185040 54.073109307 H 31.829200668 40.537837578 52.041955239 H 31.433317292 42.265921929 51.981866554 H 30.682476221 43.279529965 54.422430171 H 30.304893845 39.122259053 53.249232914 H 29.014902266 42.925055320 56.221450358 H 28.611882246 38.774481459 55.032267790 H 27.395841142 41.558581497 57.189460342 H 32.957219385 30.980289062 53.702153707 H 33.496257811 30.126239727 55.926525361 H 31.728823448 30.262125786 55.699810991 H 31.798699778 31.389394564 57.540097646 H 32.800492274 34.150482919 55.147693293 H 29.985588858 34.430791955 54.246853542 H 30.267059716 36.737510442 55.519750816 H 31.602176196 35.932228085 56.364366763 H 32.448208350 34.475578041 52.503018090 H 32.067583177 37.026735823 51.030591066 H 33.017539354 35.609210007 50.511114321 H 29.912843151 35.725860171 50.639390655 H 30.878974023 34.326464032 50.066050980 H 30.878009007 35.855374630 49.139405162 H 22.269977336 41.140130204 60.627037525 H 24.583805615 40.646714142 59.961074056 H 24.138084352 40.621517835 58.237614541 H 22.681086107 38.696788312 58.517121343 H 22.652987824 38.860234102 60.284320116 H 21.890989430 42.978601201 57.680890658 H 23.199932224 45.237915634 59.120876311 H 23.461289149 44.638385849 56.099210368 H 24.070575971 46.089444989 56.920207210 H 25.014793051 42.271970115 56.352534700 H 26.203060539 45.709899308 58.595499030 H 28.045622394 43.924845093 58.801787355 H 24.753799352 48.911738006 58.143379129 H 23.259367167 47.725313907 59.862889731 H 23.922258164 48.773034517 61.127843746 H 26.258147473 46.004396007 61.409885910 H 24.816622485 46.617301152 62.154843371 H 19.878957887 30.713745173 58.055518481 H 19.886272047 33.275731026 58.208618241 H 21.352419880 32.472247730 57.622438841 H 23.685513411 33.364622775 58.738396831 H 22.078469607 35.142254718 62.229282261 H 21.837921779 29.573284048 58.038807901 H 23.180017000 27.885365943 58.991403882 H 24.126286958 30.463491377 60.392007720 H 25.083586754 28.974804522 60.315664493 H 25.431716509 29.177109088 57.913240796 H 24.033084131 30.228697114 57.698049086 H 26.458585840 29.995384778 66.787816871 H 23.382758545 30.346818690 66.887824461 H 24.603339519 31.539327305 67.353904657 H 25.968798525 32.831919115 64.976886290 H 22.658450978 30.231136234 64.445942618 H 23.010142048 31.426119798 62.228842326 H 26.114752203 36.023757645 66.311386921 H 23.691573704 35.877530996 65.355374483 H 23.932597337 37.490366136 64.677072954 H 27.905240337 37.265877028 66.804090681 H 27.896469603 40.209585554 66.357583910 H 28.760443971 37.551690490 64.517235296 H 30.120935908 39.178605871 62.573670785 H 31.747121014 36.818746660 63.750268590 H 32.133727259 38.560698092 63.949251249 H 32.189236597 37.822090520 62.324213922 H 24.027439474 43.017017669 62.020586765 H 25.454103576 43.122073154 62.631047356 H 26.421653168 39.608696726 56.365430524 H 25.415673469 38.782636307 57.233322474 H 28.231936474 39.466791132 57.986564424 H 23.849857982 31.226959629 55.127792035 H 24.411138988 31.569722086 53.688010613 H 29.584398666 31.713002330 58.579342695 H 29.733323828 30.222409405 58.087427080 H 29.742621012 31.723386195 56.487959343 H 25.626645212 39.506274327 62.402099725 H 26.406380802 38.222745733 61.820795019 H 24.396184462 41.208019427 63.275314130 H 24.704946419 39.946094921 64.185002709 H 25.256819393 38.381613450 54.379692451 H 25.176701993 37.945529128 52.836799611 H 26.731777085 43.512922298 60.967446076 H 27.523512295 42.562597776 61.931342839 H 26.550283801 37.489299971 56.343859945 H 27.701703659 40.383384393 61.931787095 H 29.002695003 41.021590930 61.277770501 H 27.046579223 34.648045734 54.346689237 H 26.509532037 36.085420870 53.835402957 H 31.157711140 30.100667780 64.340514206 H 29.754644425 32.653297643 65.388634690 H 30.606027916 32.578475274 63.848463067 H 29.060775967 30.460732136 63.333540907 H 28.020527891 31.124477357 64.612293308 H 37.585210547 31.391025525 62.182357096 H 36.606655237 33.224187798 60.900575619 H 35.309396411 32.120024446 61.375776102 H 34.705102006 33.717656358 63.285260328 H 36.052573848 34.765345734 62.804978398 H 34.008039209 35.720252623 61.954415079 H 34.986070371 35.157725735 60.563019641 H 31.076518001 36.192625728 60.086269460 H 32.762413160 36.417872661 60.411237278 H 30.151038215 34.016581427 60.116825098 H 31.149038857 32.684991494 60.588393212 H 24.134599124 44.681890930 63.457150940 H 23.830988977 45.918565999 64.421695994 H 29.741016734 30.203919574 60.072572733 H 28.648373920 30.515360383 61.131179607 H 26.564960210 28.711800692 55.691558783 H 25.908016930 30.022788533 54.952512599 H 29.125110461 39.298575044 59.283250259 H 26.032681086 32.551409541 54.933167316 H 28.495669737 30.644400197 56.257604396 H 33.412218998 32.987402087 60.998137038 H 27.368590570 36.330925826 55.604855283 H 25.130971702 33.002157678 62.581674381 H 20.164092973 33.960849392 61.010046510 H 31.734387792 38.525886621 59.144011923 H 30.543219981 39.863480901 57.345351551 H 31.926046528 40.966858188 57.250233198 H 31.445544090 42.827191405 58.265817770 H 30.554571880 42.979372887 59.757523825 H 33.169909002 39.566185006 58.953844020 C 32.279197987 39.175110002 58.438896961 C 31.380059975 40.288735533 57.928708399 C 30.778674978 41.068386979 59.079417998 N 30.928529008 42.381353014 59.019792995 O 30.160422766 40.499687167 60.019741902 H 32.627878497 38.544189554 57.602660183 N 22.491569981 39.033396644 54.471439274 C 23.022998991 40.393002059 54.533998725 H 22.255797967 41.057583975 54.872573060 C 23.478633795 40.852513113 53.133369069 C 24.633998936 41.823001865 53.204999324 C 25.938999145 41.365002198 52.986998689 C 24.432999046 43.206002070 53.490998816 C 27.012998923 42.258001874 53.019999224 C 25.548998952 44.110001961 53.555999076 C 26.827999043 43.625002071 53.333999906 H 23.803255269 39.974307695 52.543055663 H 22.622469157 41.294551382 52.590349634 H 26.117517237 40.306487052 52.757717733 H 23.414026135 43.587837096 53.640169950 H 28.028395460 41.885673345 52.834774012 H 25.372169649 45.170216696 53.776910142 H 27.695950579 44.295360117 53.370429846 H 21.044551984 36.869196005 54.393026989 C 21.594998948 36.938001985 55.307998996 C 21.953566820 38.395373577 55.543113869 O 21.748081059 38.988296126 56.624107130 C 22.742877280 35.910710270 55.296984725 C 23.308674996 35.747785292 56.707735944 C 22.231907661 34.571683294 54.739084518 H 20.886000816 36.658925189 56.110506609 H 23.548342270 36.280452814 54.629775964 H 22.510346628 35.467174677 57.419712852 H 23.773476288 36.680123926 57.070871416 H 24.073518305 34.958049530 56.730067656 H 21.403306268 34.178215422 55.358891830 H 23.034322631 33.812263465 54.734132694 H 21.856922611 34.678614870 53.704520944 H 23.862323299 40.421268287 55.255246363 H 22.655863842 38.493579063 53.622057730 H 20.945259011 27.056646985 52.914476005 C 21.600999988 26.282000010 53.311999994 C 23.011214477 26.371353501 52.721805928 C 23.716326629 27.699737069 52.990264184 N 23.855849523 27.993162694 54.459406485 H 22.025547033 34.188969020 49.076754998 C 22.118588915 33.884064922 50.119097993 H 22.670201046 34.631878048 50.688835012 C 22.762966769 32.483762366 50.175950489 C 22.958713505 31.959577872 51.592188294 N 21.857823460 31.525777735 52.250765104 O 24.100821276 31.947138930 52.111351039 Cl 21.839001030 30.339999961 55.765998879 H 21.093683908 33.855461034 50.534452278 H 20.937436053 31.562705401 51.818044855 H 21.907131749 31.221143614 53.230071865 H 22.137517730 31.770386978 49.606013877 H 23.761138612 32.498793155 49.706397292 H 23.110033111 28.630639008 54.824730130 H 24.834518907 28.461489916 54.650684163 H 23.825323214 27.130077372 55.019147670 H 22.976021646 26.232713819 51.624559967 H 23.640675617 25.546416506 53.112445442 H 21.142747616 25.304375711 53.078232449 H 21.603357301 26.378423516 54.413601299 H 24.734635435 27.692538967 52.565689404 H 23.170573865 28.548205999 52.542726722 H 28.911773088 31.793942838 55.048309915 O 26.112237700 34.298732072 57.073402321 H 25.812849102 34.529055546 58.086306232 H 26.380988013 35.215853502 56.730579385 D4 Mn 24.846305479 35.396149962 60.873953082 Mn 27.335849574 35.113260105 62.092885339 Mn 27.470092746 33.184751617 60.030954027 Mn 27.720907253 32.983689890 57.219729032 Ca 27.822947614 36.578645624 59.064554093 O 26.438029672 36.386934440 61.118542583 O 28.416656551 34.617487972 60.692192109 O 26.059870898 33.908763185 61.335346661 O 28.652968836 32.448459966 58.812907389 O 27.006027866 34.141589451 58.514972715 O 26.588554386 33.584609757 55.857141985 N 28.466218689 31.620430878 55.892644238 O 27.304497516 36.850364610 56.705753573 O 28.356667661 38.884180825 58.766827020 H 30.386278981 26.554956002 57.103004914 C 30.312282071 27.064947980 58.050497155 H 30.925318956 26.579770022 58.850732943 C 28.833054782 27.249549244 58.408373230 C 28.159633496 28.176694386 57.390677949 O 28.855280692 29.182277737 56.999992121 O 26.981218931 27.929520734 56.979679938 H 33.765459006 42.205889027 52.647135992 C 33.048044999 41.804449930 53.345646035 H 33.479306001 40.971406018 53.939089990 C 31.719759312 41.434770471 52.667710783 C 30.625178021 41.205702862 53.690126051 C 30.242714588 42.244908502 54.567693006 C 30.007044524 39.950321497 53.854748154 C 29.298513767 42.038133073 55.580564774 C 29.050434779 39.729178429 54.859678665 C 28.687662800 40.769686507 55.743454016 O 27.780103785 40.545123891 56.738838317 H 33.875560972 32.213249970 54.592799981 C 32.897071024 31.686966044 54.550602011 C 31.721127001 32.615261008 54.372916233 O 30.610914784 32.193316809 53.986291959 C 32.730823355 30.762751674 55.773240257 O 32.733980069 31.505375817 56.996420899 N 31.943086886 33.927956616 54.659992616 C 30.924182998 34.954303971 54.514782019 C 31.150415348 35.855474109 53.270706729 O 30.491671529 36.898848782 53.123913197 C 30.722016145 35.765994013 55.802939209 C 29.856358411 35.121991946 56.893410811 O 29.128718386 34.123853844 56.505201520 O 29.855771692 35.619493380 58.048835987 N 32.033314540 35.399545344 52.343641714 C 32.064646970 35.924468093 50.969468068 C 30.860047077 35.427152784 50.158322908 H 21.689022999 40.969417003 58.988049997 C 22.547087999 41.319580993 59.569560995 C 22.901164692 42.782475285 59.452410831 O 23.678588574 43.309772052 60.288488967 C 23.721844097 40.385899503 59.276446367 C 23.158142580 38.973836771 59.419294099 C 24.184451250 37.893467598 59.555738744 O 25.195871191 37.831023147 58.792132280 O 23.891760591 37.033757202 60.479846382 N 22.376330378 43.497744714 58.426810161 C 22.797167000 44.863985996 58.165327996 H 21.965681997 45.497422001 57.900025001 C 23.845843586 44.982090139 57.028778168 C 25.101349361 44.217475941 57.287614084 C 25.441400162 42.918559924 56.953642819 N 26.170862732 44.700611908 58.026808430 C 27.103034909 43.730722877 58.130176843 N 26.678877787 42.635933216 57.489462291 H 25.248241999 49.914022999 59.570440001 C 24.423093999 49.401850999 59.075556001 C 24.095180448 48.170712996 59.934199578 C 25.291109428 47.232405706 60.049080238 N 25.425369751 46.494872114 61.163829784 O 26.116071383 47.143638487 59.095262704 H 19.270630954 31.358207983 59.579210013 C 20.170241070 31.259410025 58.971132004 C 21.207275042 30.465740675 59.777129116 O 21.340355153 30.623690043 61.013633004 C 20.634073810 32.650475075 58.488662096 C 21.409570680 33.419793039 59.498451349 C 22.775273119 33.547878563 59.607898023 N 20.892562255 34.136095376 60.571424429 C 21.919156303 34.679272010 61.270662529 N 23.081224626 34.340891199 60.697925871 N 21.951810252 29.575175970 59.067662646 C 23.024830981 28.754786016 59.656503079 H 22.650574014 28.351390993 60.618668951 C 24.328851479 29.543030604 59.861776492 C 24.921502154 30.027333030 58.534231655 C 25.898690681 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36.469286990 31.575154018 63.532724010 C 36.987893010 32.139354978 62.737354980 H 37.705290989 32.836251008 63.183209009 C 36.015091972 32.881856519 61.813565470 C 35.223916008 33.986678881 62.532484946 C 34.325605480 34.820199617 61.612787860 N 33.261626012 33.996699097 61.024017480 C 32.129777000 34.467020927 60.484873542 N 31.950621848 35.785819508 60.328654082 N 31.190027528 33.600362978 60.072111666 O 23.991894997 45.671522994 63.479741993 O 29.238869008 29.787565002 60.815742013 O 26.106449039 29.304986550 54.860576354 H 30.780764464 28.051904615 57.903554739 H 28.288977052 26.289261331 58.449396165 H 28.728430499 27.734765304 59.399718225 H 32.871398764 42.621014035 54.072348643 H 31.839300946 40.533453070 52.037818827 H 31.429325498 42.257729500 51.983373972 H 30.696935311 43.240533056 54.463161084 H 30.285805615 39.112671077 53.203532552 H 29.029205838 42.863019317 56.249127620 H 28.585561974 38.742210156 54.973074926 H 27.290421233 41.615872685 57.191005872 H 32.929759483 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26.109374798 36.019617916 66.310850062 H 23.685972299 35.876053939 65.362088807 H 23.915051700 37.495836474 64.694526744 H 27.890685180 37.280823243 66.850545223 H 27.899649322 40.211634598 66.356742259 H 28.775100872 37.535318889 64.539384950 H 30.122865637 39.172646367 62.586589290 H 31.740087192 36.790805506 63.732533436 H 32.138344340 38.528293106 63.944935233 H 32.180495275 37.804574551 62.312907789 H 24.051231197 43.018427944 62.005129902 H 25.455713965 43.109718852 62.673593257 H 26.537331111 39.628010723 56.360969413 H 25.404137874 38.852436532 57.135002868 H 28.243432756 39.481801768 57.949404356 H 23.976948955 31.460724469 55.164258739 H 24.433563087 31.752446452 53.666768379 H 29.689172564 31.664459597 58.584024555 H 29.774332576 30.175740998 58.083158823 H 29.771370456 31.799402029 56.410016266 H 25.544527887 39.574055254 62.336560691 H 26.336333303 38.292667021 61.784568794 H 24.359398628 41.220328179 63.279874687 H 24.689380104 39.947596327 64.170324175 H 25.383179738 38.451996894 54.362521223 H 25.176702155 37.945529529 52.836799615 H 26.777081805 43.514553478 61.065259396 H 27.543283998 42.532653822 62.013395526 H 26.585413849 37.547294217 56.385076149 H 27.661237643 40.367225152 61.921805960 H 28.990570514 40.988574669 61.300835237 H 26.938203234 33.987627943 54.504835421 H 26.887991830 36.614648904 53.756059417 H 31.157478898 30.101295625 64.339971587 H 29.746375348 32.649092669 65.391372270 H 30.618700228 32.593201492 63.861448798 H 29.083095493 30.489977238 63.288636322 H 28.027376559 31.118715019 64.572985162 H 37.584894222 31.391382218 62.181710359 H 36.606044797 33.226950092 60.902302900 H 35.309650716 32.120567881 61.375419510 H 34.703365795 33.714975170 63.287474562 H 36.050215824 34.764184101 62.809616493 H 34.004727906 35.719489216 61.958318546 H 34.985590107 35.159285261 60.567641265 H 31.085328713 36.193670163 60.060806235 H 32.773082196 36.413631836 60.383213233 H 30.158175186 34.015793322 60.108127510 H 31.141008652 32.693597550 60.623728305 H 24.124039148 44.681134824 63.457229208 H 23.830988978 45.918565998 64.421695993 H 29.766921871 30.185135668 60.080033488 H 28.655169913 30.525756706 61.111585712 H 26.564707250 28.759975212 55.692164698 H 25.940083299 30.086231703 54.968370027 H 29.116190499 39.322686304 59.272754651 H 26.012952750 32.657082543 54.772994837 H 28.541183846 30.669261200 56.328182088 H 33.412218997 32.987402086 60.998137037 H 27.475415871 36.446203222 55.674370056 H 25.055347740 32.959440813 62.580803458 H 20.135841926 33.990969611 60.986120767 H 31.734412756 38.526546253 59.144664914 H 30.543203360 39.864897293 57.345181424 H 31.926675806 40.967152043 57.251088306 H 31.453512601 42.827165889 58.271200973 H 30.561583053 42.978015395 59.762183151 H 33.169909001 39.566185009 58.953844020 C 32.279197988 39.175110001 58.438896958 C 31.380348063 40.288788276 57.928957730 C 30.778674980 41.068386983 59.079418002 N 30.928529007 42.381353013 59.019792993 O 30.158881818 40.501286935 60.019906377 H 32.628322792 38.543973649 57.602949597 N 22.486097395 39.035244594 54.469432783 C 23.022998989 40.393002081 54.533998714 H 22.255797965 41.057583966 54.872573059 C 23.479052965 40.852142740 53.133601577 C 24.633998938 41.823001820 53.204999406 C 25.938999120 41.365002218 52.986998560 C 24.432999040 43.206002084 53.490998760 C 27.012998932 42.258001863 53.019999283 C 25.548998959 44.110001951 53.555999114 C 26.827999036 43.625002082 53.333999864 H 23.804251327 39.973793900 52.543664703 H 22.622876548 41.293630862 52.590334481 H 26.118081231 40.308182034 52.751097668 H 23.413889702 43.588017324 53.638596978 H 28.028454170 41.886072482 52.833945488 H 25.371975051 45.170637646 53.774627771 H 27.695778878 44.295624356 53.369482881 H 21.044551982 36.869196004 54.393026986 C 21.594998965 36.938001998 55.307998998 C 21.964029285 38.392356072 55.545217612 O 21.786005720 38.977537362 56.635580616 C 22.744661190 35.911318264 55.285911569 C 23.364896408 35.777448910 56.677951543 C 22.215577941 34.561819542 54.773007204 H 20.890829822 36.657846484 56.114276741 H 23.526158755 36.267640726 54.583954595 H 22.597107067 35.498153583 57.423869183 H 23.828358091 36.722294531 57.008681952 H 24.143587558 34.998154398 56.684469909 H 21.406312374 34.182227588 55.425985323 H 23.017682537 33.802764586 54.757383724 H 21.808253770 34.647354347 53.748791497 H 23.861788925 40.416264029 55.255659826 H 22.630979375 38.502423886 53.612263400 H 20.945259008 27.056646983 52.914476005 C 21.600999992 26.282000011 53.311999994 C 23.014903748 26.380056002 52.731750180 C 23.708053695 27.716026524 52.994239917 N 23.839158726 28.023124899 54.462391566 H 22.025547031 34.188969020 49.076754999 C 22.118588916 33.884064924 50.119097994 H 22.670201050 34.631878051 50.688835023 C 22.750335840 32.477422469 50.181991883 C 22.971209631 31.991349499 51.606134858 N 21.921309207 31.432241145 52.248204802 O 24.094571402 32.135386939 52.151485156 Cl 21.839001040 30.339999968 55.765998878 H 21.093693552 33.860448189 50.534786227 H 21.016761351 31.337857667 51.791152627 H 21.984492557 31.149664034 53.234292599 H 22.106005234 31.762332003 49.637272667 H 23.739065318 32.477203072 49.691847645 H 23.084340637 28.654900527 54.824056901 H 24.803203161 28.504877010 54.653411553 H 23.819556440 27.163453413 55.028226356 H 22.988627195 26.234957103 51.635096347 H 23.648498377 25.562543167 53.131060675 H 21.148378486 25.303784548 53.070582667 H 21.596314791 26.373130895 54.414126632 H 24.728337524 27.713446301 52.574594933 H 23.156924032 28.556583738 52.538179713 H 28.832718841 31.775544776 55.053154593 O 26.176879114 34.276244973 57.041221745 H 25.629039327 34.645291476 58.374696677 H 26.445965491 35.201129752 56.740786459 H 28.420386466 36.197043472 53.637646539 D7 Mn 24.803889715 35.465051562 60.948879558 Mn 27.267998845 35.117989454 62.136168943 Mn 27.568808920 33.081399291 60.069451932 Mn 27.791322870 32.891542693 57.124827584 Ca 27.861933938 36.514824812 59.102506270 O 26.400014264 36.428479761 61.165966388 O 28.330147209 34.603956683 60.749807702 O 25.855500585 34.023039975 61.522783586 O 28.806845339 32.363272934 58.454844545 O 27.074329215 34.070261198 58.453197509 O 26.462274025 33.616062313 55.710020945 N 28.436634621 31.576796988 55.742356210 O 27.206116729 36.747082853 56.770016067 O 28.394079475 38.811030400 58.748608120 H 30.386278997 26.554955985 57.103004921 C 30.312282046 27.064948028 58.050497141 H 30.925318972 26.579770000 58.850732949 C 28.833336591 27.288735776 58.382831097 C 28.191923749 28.211970038 57.337102857 O 28.923608059 29.176205735 56.905967088 O 26.999323050 28.000084945 56.947326396 H 33.765459014 42.205889014 52.647135991 C 33.048044973 41.804449966 53.345646033 H 33.479306010 40.971406004 53.939089989 C 31.728282709 41.398290633 52.668245516 C 30.640989160 41.137262650 53.692394073 C 30.241857323 42.168288957 54.572909300 C 30.037649935 39.873442341 53.856413515 C 29.297340128 41.949780661 55.581445391 C 29.078430921 39.641234401 54.858699874 C 28.695089983 40.675561734 55.745958325 O 27.787197388 40.452492367 56.734884654 H 33.875560966 32.213249958 54.592799977 C 32.897071034 31.686966056 54.550602015 C 31.743301111 32.640206179 54.363733226 O 30.631945422 32.241373887 53.955614871 C 32.725928035 30.763078817 55.768413462 O 32.752288023 31.504295347 56.990680089 N 31.974563921 33.956595064 54.653397612 C 30.924182980 34.954303959 54.514782034 C 30.986629084 35.775442976 53.216925047 O 30.056814924 36.578056670 52.969362955 C 30.707001004 35.772645496 55.793167878 C 29.822192370 35.077189338 56.836432499 O 29.058273900 34.139844270 56.363293780 O 29.833239381 35.472236446 58.027982151 N 32.000128758 35.491260459 52.373608514 C 32.064646987 35.924468088 50.969468059 C 30.860047055 35.427152788 50.158322919 H 21.689022999 40.969417003 58.988049997 C 22.547087999 41.319580994 59.569560996 C 22.923477880 42.775021265 59.437070635 O 23.745714368 43.283623713 60.242605037 C 23.705504729 40.369137957 59.283950076 C 23.103082871 38.972575406 59.416213816 C 24.115347419 37.888316087 59.541205572 O 25.096598188 37.784467184 58.750138954 O 23.846660896 37.057891232 60.505750212 N 22.368378048 43.501989400 58.438238608 C 22.797167000 44.863985997 58.165327994 H 21.965681998 45.497422001 57.900025002 C 23.839679840 44.960953184 57.020542975 C 25.085291428 44.176830709 57.272591723 C 25.407425644 42.876463912 56.929458691 N 26.163737251 44.647461994 58.007798822 C 27.088229408 43.674965216 58.106162040 N 26.645656885 42.587554015 57.461329445 H 25.248241999 49.914022998 59.570440001 C 24.423093998 49.401851001 59.075556000 C 24.084406064 48.171982935 59.931244702 C 25.253361608 47.198128509 60.015641654 N 25.395181449 46.458690093 61.127347444 O 26.046104356 47.081938556 59.036475045 H 19.270630958 31.358207982 59.579210008 C 20.170241065 31.259410028 58.971132012 C 21.198726440 30.452532503 59.773524595 O 21.334132745 30.614186979 61.009640777 C 20.661768312 32.660163919 58.537468795 C 21.422263428 33.417123965 59.573481314 C 22.776674661 33.660304475 59.635380627 N 20.893493948 34.040114829 60.698881026 C 21.895452350 34.638147862 61.387189128 N 23.056478223 34.424576446 60.754410601 N 21.941663252 29.561291420 59.065400067 C 23.024830986 28.754786012 59.656503075 H 22.650574014 28.351390996 60.618668955 C 24.325568138 29.560126480 59.838408012 C 24.886421173 30.054713786 58.497587934 C 25.935333915 31.144701327 58.570100147 O 26.314770091 31.581024356 59.705592382 O 26.375188947 31.576764661 57.439174784 H 25.342342982 28.901556992 65.956376061 C 25.430583040 29.593704095 66.782122848 H 25.235583976 29.098262930 67.755773070 C 24.389681835 30.733386616 66.628341640 C 24.303528147 31.301870056 65.244475664 C 25.068536744 32.241064822 64.578049283 N 23.365711404 30.875560154 64.308391207 C 23.538426500 31.513747771 63.134498408 N 24.578065882 32.345484867 63.287184306 H 24.889819973 37.055719030 67.047362037 C 25.452204008 36.885365962 66.121680974 C 26.296404094 38.155356774 65.906953478 O 25.832095376 39.180264748 65.371586779 C 24.428445665 36.607331948 65.028757838 C 25.017372668 36.008949067 63.773213604 O 26.246050522 35.676824250 63.773814974 O 24.218220600 35.868450072 62.779826247 N 27.577250058 38.127914231 66.388603086 C 28.490866982 39.280094001 66.368274019 C 29.440233775 39.366245625 65.162577505 O 30.157070831 40.367769574 64.999695290 H 29.083429009 39.257538999 67.291200991 N 29.417161492 38.293809948 64.339568253 C 30.079692990 38.240004718 63.041789903 C 29.345427911 37.204680015 62.167269615 O 29.482488896 37.234080454 60.920886261 C 31.586615839 37.939832165 63.162017057 O 28.617707299 36.357345597 62.828333490 O 24.318212850 42.957597601 62.950920387 O 25.721045380 38.941376305 56.174427871 O 24.722648176 31.776955535 54.787414318 O 30.657073767 30.551956847 58.417373706 O 26.315097112 39.284997593 61.770036749 O 24.251153788 40.164716660 63.322218558 O 25.581692633 37.745644845 53.705538908 O 26.495087133 43.494106500 61.422498238 O 28.076429993 41.371821090 61.666813265 O 27.401372092 35.787349203 54.175319707 H 30.699472035 30.376337010 66.032444044 C 31.018905922 30.890757970 65.104315910 H 31.997506078 31.360958048 65.227864029 C 30.076598055 31.993958621 64.595568331 C 28.797358265 31.471560397 63.904304682 C 28.239654865 32.476468361 62.916860855 O 27.983122203 33.660168768 63.320273341 O 28.060127999 32.079571004 61.704564917 H 36.469286988 31.575154019 63.532724010 C 36.987893013 32.139354975 62.737354978 H 37.705290989 32.836251009 63.183209010 C 36.006628092 32.887860635 61.827731069 C 35.187674136 33.948037175 62.581535767 C 34.289269279 34.810008761 61.689732784 N 33.261625960 33.996699090 61.024017576 C 32.129777050 34.467020928 60.484873445 N 31.959925234 35.793358105 60.335129865 N 31.185696821 33.619944358 60.046789953 O 23.991895002 45.671522996 63.479741995 O 29.238869008 29.787565000 60.815742020 O 26.116513096 29.328457936 54.818351982 H 30.804127084 28.039695980 57.899285165 H 28.265462164 26.342742846 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24.530795889 40.521724999 60.001988508 H 24.107651385 40.530657006 58.267582351 H 22.489161511 38.751461856 58.518003458 H 22.439490923 38.923138866 60.296111796 H 21.737355465 43.034469025 57.787065662 H 23.229559057 45.248966977 59.103079177 H 23.382828205 44.598296081 56.082188743 H 24.081600902 46.029260304 56.869659371 H 24.862274952 42.153383442 56.325090453 H 26.231094910 45.613883140 58.452151024 H 28.043691386 43.767663259 58.622263660 H 24.735502052 49.118380323 58.057839516 H 23.236794658 47.608119970 59.491930272 H 23.763126231 48.466783095 60.946937353 H 26.103929701 45.716874459 61.147417415 H 24.742521603 46.464081246 61.927261094 H 19.884198068 30.708594975 58.057043760 H 19.788972342 33.247283005 58.194482071 H 21.328875937 32.545573571 57.664628109 H 23.551448403 33.378480816 58.926503266 H 21.758422243 35.226027238 62.294618294 H 21.838886339 29.571832866 58.039913016 H 23.190674883 27.896266625 58.981574413 H 24.121823203 30.419069807 60.500144754 H 25.072716880 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21.269147968 33.536636970 49.267083969 C 21.496001104 33.330002101 50.313001055 H 22.064080953 34.150799935 50.750806989 C 22.300096975 32.013520195 50.404089832 C 22.685079972 31.683978385 51.839278064 N 21.748512366 31.058870396 52.582192820 O 23.810937036 32.015359497 52.296213318 Cl 21.839000970 30.339999990 55.765998975 H 20.537375926 33.249001858 50.856508478 H 20.843015588 30.829057523 52.177618995 H 21.871678119 30.879258605 53.594058240 H 21.712051663 31.181694075 49.973267055 H 23.235273197 32.098756046 49.824202953 H 23.072824302 28.582830248 54.799534090 H 24.787748778 28.555952406 54.621273404 H 23.908964817 27.146223021 55.010120781 H 22.977185575 26.202874578 51.625710726 H 23.630495467 25.523691659 53.121299502 H 21.136022709 25.305858335 53.085659909 H 21.607443064 26.383421832 54.413231548 H 24.759939189 27.640709348 52.563531150 H 23.210088298 28.523180643 52.503914440 H 23.561549004 50.087706445 59.011309899 H 27.733219490 31.497196134 54.999041724 O 25.039008863 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23.611783003 50.074123000 58.796406002 C 24.116354054 48.318237017 60.108855153 C 25.282634013 47.331184889 60.200085403 N 25.472471883 46.664130978 61.349316651 O 26.043358747 47.149519990 59.207137034 H 19.270631052 31.358207939 59.579209872 C 20.170240901 31.259410109 58.971132255 C 21.185528478 30.436086211 59.776701161 O 21.315408681 30.589858740 61.013967440 C 20.730703350 32.634596886 58.519977176 C 21.577270383 33.372112745 59.507609742 C 22.940271911 33.608654793 59.510913011 N 21.105046374 34.019176161 60.642923030 C 22.139509677 34.616232494 61.280327830 N 23.274193372 34.383359352 60.607371142 N 21.931712894 29.549363452 59.065761744 C 23.024831018 28.754785954 59.656502978 H 22.650573992 28.351391025 60.618669024 C 24.328051412 29.565029078 59.779359883 C 24.881588821 29.985972000 58.402708882 C 25.815023575 31.184101476 58.404408297 O 25.947688933 31.833311996 59.491934252 O 26.376701416 31.475286892 57.272780264 H 25.342342970 28.901556948 65.956375988 C 25.430583042 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35.306104086 34.050937167 62.411299767 C 34.404727281 34.821742096 61.441308292 N 33.261626182 33.996698801 61.024016610 C 32.129776803 34.467021136 60.484874388 N 32.008061333 35.771796677 60.185848427 N 31.100766125 33.629367809 60.231212613 O 23.991895197 45.671523302 63.479742312 O 29.238868989 29.787564988 60.815742007 O 26.196437983 29.265211858 54.667780998 H 30.809697576 28.038790390 57.897491953 H 28.244928157 26.388426367 58.419449643 H 28.753336209 27.810336039 59.383010589 H 32.859982762 42.620769714 54.068914156 H 31.864096445 40.507691197 52.039998720 H 31.425994897 42.224785422 51.972533622 H 30.677491192 43.226919138 54.414067553 H 30.328092673 39.068165028 53.243517123 H 29.022190523 42.866291787 56.213233221 H 28.645326431 38.709020575 55.037107003 H 27.288266419 41.716774374 57.263662444 H 32.900604050 31.064397470 53.635545332 H 33.582047326 29.997702400 55.715027363 H 31.805330907 30.202571431 55.708003859 H 32.092168271 31.227553920 57.571175851 H 32.898889050 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24.633998968 41.823001867 53.204999337 C 25.938999144 41.365002219 52.986998644 C 24.432999028 43.206002059 53.490998797 C 27.012998946 42.258001861 53.019999317 C 25.548998986 44.110001963 53.555999112 C 26.827999010 43.625002084 53.333999836 H 23.802972303 39.974655125 52.543177868 H 22.622560514 41.295199989 52.590921292 H 26.117952048 40.307911133 52.752080578 H 23.413892286 43.587883472 53.638891709 H 28.028650267 41.885964388 52.835109154 H 25.372022675 45.170610514 53.774780506 H 27.695785285 44.295596999 53.369625718 H 21.044551979 36.869196010 54.393026963 C 21.594998953 36.938001981 55.307999028 C 21.957519188 38.396843025 55.538821550 O 21.762188395 38.988835994 56.622107144 C 22.725343926 35.902049450 55.403250683 C 23.215153396 35.865849909 56.853247194 C 22.209229879 34.532261760 54.937090071 H 20.856744765 36.692033924 56.096458652 H 23.562425303 36.207367307 54.742575716 H 22.362857896 35.719088938 57.541666033 H 23.718089995 36.804162336 57.136432226 H 23.916060762 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54.791633453 H 24.813714869 28.546920304 54.580034769 H 23.889700484 27.173929398 54.994974117 H 22.973194459 26.209647543 51.623209601 H 23.642963280 25.550206622 53.120288823 H 21.140965434 25.304091699 53.083983697 H 21.608572757 26.383590493 54.413194808 H 24.729204024 27.687314761 52.527376259 H 23.162994239 28.540624748 52.498851598 H 29.432741034 31.761596831 55.412684031 N 26.111642517 34.130105474 56.940134651 H 25.760783904 34.329949736 57.929873926 H 26.345416950 35.075626810 56.565372246 H 28.427854596 36.186445223 53.618410373 E1 Mn 24.915326319 35.391699402 60.710504575 Mn 27.332322360 35.110634814 62.092213254 Mn 27.440131845 33.176767212 60.029816150 Mn 27.732490183 32.973226441 57.247924053 Ca 27.834680540 36.494267667 59.030510451 O 26.479382159 36.386935565 61.069018978 O 28.429920216 34.595278653 60.721856810 O 26.021699550 33.932914602 61.351172401 O 28.657776810 32.452951265 58.903682081 O 26.941761415 34.135282556 58.604283920 O 26.510483956 33.607853061 56.002106731 O 28.571972495 31.783501531 56.133422864 O 27.262628152 36.816681999 56.659215206 O 28.438522311 38.805485615 58.728952123 H 30.386279038 26.554955935 57.103005006 C 30.312281913 27.064948164 58.050496988 H 30.925319037 26.579769925 58.850732999 C 28.836707006 27.282224141 58.402273702 C 28.173374337 28.201780259 57.364932185 O 28.836037982 29.233580900 56.997972311 O 27.016253513 27.902282710 56.918196869 H 33.765458990 42.205889031 52.647136001 C 33.048045026 41.804449928 53.345646008 H 33.479305979 40.971406028 53.939089997 C 31.727308419 41.424662448 52.659266911 C 30.632520313 41.202527449 53.680845776 C 30.236590725 42.260297445 54.529503390 C 30.035764680 39.941681429 53.878176199 C 29.296715898 42.069743820 55.549113010 C 29.081169882 39.735318145 54.887915816 C 28.710178666 40.797564422 55.736704527 O 27.801597810 40.570282244 56.740207638 H 33.875561098 32.213250107 54.592800030 C 32.897070891 31.686965856 54.550601968 C 31.799615236 32.657578989 54.152005849 O 30.864648101 32.349178760 53.394873553 C 32.617287284 30.894470943 55.838838315 O 32.607834228 31.729744797 56.998927231 N 31.939296772 33.922301168 54.667106458 C 30.924182985 34.954304035 54.514782022 C 31.092753127 35.814131901 53.242016095 O 30.317554638 36.776441652 53.025168142 C 30.787602147 35.793624989 55.796026882 C 29.902910507 35.197236072 56.908645145 O 29.119544911 34.252077501 56.556474075 O 29.960452114 35.731823260 58.060058696 N 32.033044643 35.431241333 52.355402851 C 32.064646965 35.924468019 50.969468004 C 30.860047026 35.427153006 50.158323000 H 21.689022999 40.969417003 58.988049997 C 22.547088000 41.319580999 59.569561002 C 22.830204028 42.803321478 59.494430355 O 23.473194936 43.378463996 60.406437879 C 23.752950898 40.438425247 59.238488716 C 23.246793423 39.004173813 59.367664275 C 24.302718407 37.947927014 59.505016055 O 25.363199170 37.961124537 58.819120130 O 23.964266411 37.029114056 60.355882326 N 22.388921997 43.489980020 58.407462955 C 22.797167000 44.863986002 58.165327989 H 21.965681997 45.497422000 57.900025003 C 23.867512448 45.006450256 57.052703643 C 25.130864441 44.258713147 57.328919156 C 25.494999148 42.963146123 56.999919585 N 26.187617727 44.752449156 58.078095811 C 27.129748676 43.784759004 58.183465723 N 26.731746468 42.683799955 57.540009902 H 25.248241999 49.914022999 59.570440001 C 24.423093998 49.401851000 59.075556000 C 24.102187601 48.168420311 59.934568388 C 25.336153180 47.290743099 60.109604610 N 25.477727092 46.600087512 61.253896596 O 26.195660844 47.215037152 59.187057052 H 19.270630982 31.358207968 59.579209988 C 20.170241032 31.259410054 58.971132031 C 21.202969540 30.462831269 59.782347884 O 21.320249981 30.609512818 61.021660499 C 20.653410483 32.632157525 58.468990433 C 21.446680922 33.407475065 59.459566030 C 22.813312345 33.446225826 59.635442529 N 20.936419728 34.261069942 60.428959139 C 21.968597183 34.802158619 61.123517087 N 23.126652054 34.328462276 60.651510412 N 21.960394082 29.586407407 59.069816279 C 23.024830984 28.754785983 59.656503026 H 22.650574012 28.351391015 60.618668986 C 24.338114884 29.516770649 59.869042582 C 24.940248309 29.994717457 58.547010231 C 25.916700642 31.147873505 58.648175580 O 26.150016864 31.678986648 59.785057759 O 26.428742890 31.526732276 57.543198922 H 25.342342994 28.901556997 65.956376030 C 25.430583016 29.593704031 66.782122919 H 25.235583996 29.098262969 67.755773037 C 24.437605199 30.770460901 66.589556581 C 24.405900025 31.334236964 65.195929150 C 25.208514482 32.247727723 64.533597662 N 23.464929546 30.938236757 64.248788768 C 23.672706609 31.569330836 63.076567171 N 24.737179080 32.367131587 63.235316254 H 24.889820001 37.055718992 67.047362016 C 25.452203982 36.885366010 66.121680983 C 26.278735369 38.170030267 65.930629773 O 25.788265453 39.214383029 65.457919585 C 24.448145490 36.592172132 65.014962157 C 25.000523202 35.951069407 63.747449614 O 26.256690473 35.649636986 63.720575577 O 24.180657579 35.743915951 62.813785843 N 27.571697251 38.135020703 66.380423834 C 28.490867014 39.280093992 66.368274012 C 29.482901323 39.336182888 65.190127932 O 30.271230519 40.293195204 65.087359499 H 29.083428996 39.257539004 67.291200992 N 29.421226813 38.287579990 64.343408093 C 30.156690952 38.166188458 63.086111156 C 29.349938849 37.222235349 62.165377525 O 29.391797961 37.355990860 60.929572166 C 31.595450166 37.655326512 63.294708847 O 28.671268712 36.321017788 62.822960819 O 24.465484536 42.969974508 62.919353946 O 25.628804016 39.012326176 56.260317706 O 24.778871613 31.579552248 54.773753145 O 30.560807932 30.695067097 58.487008722 O 26.474813333 39.106380363 61.919716169 O 24.315311813 40.151675632 63.290511115 O 25.581694041 37.745645128 53.705538789 O 26.951286607 43.370105507 61.896887874 O 28.289000136 41.107512176 61.984751095 O 27.814645926 36.245115495 54.052226275 H 30.699472026 30.376337019 66.032443985 C 31.018905927 30.890757955 65.104316007 H 31.997506044 31.360958021 65.227864014 C 30.069156364 31.981360181 64.583702206 C 28.817123841 31.443071397 63.861393550 C 28.248348456 32.450095112 62.874298174 O 28.019499319 33.640398829 63.295383080 O 28.037679134 32.060398690 61.675788551 H 36.469287000 31.575154004 63.532724000 C 36.987893001 32.139354991 62.737354993 H 37.705290999 32.836250998 63.183208999 C 36.042427921 32.845859447 61.758177950 C 35.351517465 34.090083653 62.338344131 C 34.438902031 34.815783009 61.341804593 N 33.261626059 33.996699064 61.024018116 C 32.129776953 34.467020971 60.484873900 N 32.012566838 35.759132748 60.126374350 N 31.098762091 33.630250948 60.294438416 O 23.991894992 45.671522995 63.479742005 O 29.238869008 29.787564997 60.815742014 O 26.176631463 29.194775878 54.771615624 H 30.790674616 28.048248807 57.898183093 H 28.277313732 26.331359838 58.458574941 H 28.742337309 27.786981201 59.384661586 H 32.864020514 42.620756544 54.070294023 H 31.854619135 40.518399572 52.038287783 H 31.436160369 42.240975971 51.967711242 H 30.677664789 43.258146932 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40.284550386 57.928438591 C 30.778674963 41.068387006 59.079417980 N 30.928528016 42.381352993 59.019792012 O 30.166896968 40.503472546 60.024298288 H 32.626094896 38.542081995 57.603550425 N 22.486758678 39.037544471 54.457142186 C 23.022998885 40.393002020 54.533998946 H 22.255798014 41.057583994 54.872572983 C 23.478489362 40.854803171 53.133725194 C 24.633999125 41.823002025 53.204999943 C 25.938998975 41.365002026 52.986999931 C 24.432998942 43.206001986 53.490998027 C 27.012999076 42.258001972 53.019999229 C 25.548999057 44.110002000 53.555999048 C 26.827998937 43.625002017 53.333999858 H 23.801069167 39.976418409 52.542643625 H 22.622411400 41.298622037 52.591853096 H 26.116986989 40.306544777 52.757450171 H 23.413943518 43.587388400 53.640796817 H 28.028407512 41.885535223 52.835140078 H 25.372275139 45.170259284 53.776976229 H 27.696096953 44.295209995 53.370905411 H 21.044552051 36.869196015 54.393026913 C 21.594998936 36.938001975 55.307999115 C 21.960005731 38.392446201 55.527292646 O 21.756326450 38.984342276 56.609632304 C 22.734882898 35.879357118 55.180366623 C 22.260171077 34.552229844 55.792630936 C 23.127074392 35.642286684 53.711631832 H 20.920026759 36.668278177 56.137702640 H 23.626734624 36.227485330 55.737645298 H 21.378065308 34.167218628 55.245735972 H 21.963311599 34.675240193 56.849291980 H 23.052081623 33.784261414 55.740251126 H 22.269021159 35.221421819 53.152718955 H 23.967835395 34.930201792 53.635739811 H 23.444550696 36.567577605 53.204390428 H 23.862300013 40.409485309 55.254960585 H 22.637197226 38.509496333 53.598454764 H 20.945258998 27.056646999 52.914476000 C 21.601000000 26.281999999 53.311999999 C 23.013204739 26.359419209 52.723291721 C 23.734409624 27.683263481 52.976932369 N 23.883194947 28.002543188 54.437528006 H 21.269148019 33.536637028 49.267083941 C 21.496000994 33.330001949 50.313001126 H 22.064080974 34.150800002 50.750806900 C 22.289502146 32.007812197 50.392777490 C 22.689994386 31.668176847 51.821832827 N 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59.467762302 O 23.574018094 43.349712571 60.345574795 C 23.731821972 40.390520856 59.279605436 C 23.177459491 38.972257998 59.424357273 C 24.188285620 37.871142685 59.558460697 O 25.217904426 37.790311355 58.832351400 O 23.839431395 36.992860984 60.456382395 N 22.389295186 43.490317937 58.406626281 C 22.797167007 44.863986000 58.165327997 H 21.965681992 45.497422007 57.900025002 C 23.864009064 45.011113245 57.049884080 C 25.124845608 44.260118485 57.323015174 C 25.475692621 42.958783874 57.004538892 N 26.188114349 44.752568116 58.062987226 C 27.122682663 43.779029269 58.174717610 N 26.711811389 42.675293814 57.543216436 H 25.248242035 49.914023014 59.570440021 C 24.423093963 49.401850985 59.075555981 C 24.103722679 48.166303046 59.932187988 C 25.337330093 47.287509891 60.104586873 N 25.481466506 46.599577767 61.250301550 O 26.193952766 47.208612996 59.179513525 H 19.270630925 31.358208008 59.579210120 C 20.170241135 31.259410031 58.971131806 C 21.171942735 30.426717255 59.786291337 O 21.236437871 30.509416213 61.034285335 C 20.656011489 32.653126062 58.521532584 C 21.311795427 33.423570462 59.613961183 C 22.567618833 33.256538335 60.164334998 N 20.745649454 34.459379407 60.340585708 C 21.658402923 34.893555557 61.255709002 N 22.787505014 34.186071492 61.164564056 N 21.964631295 29.587039320 59.065791133 C 23.024831296 28.754786408 59.656503112 H 22.650573833 28.351390712 60.618668949 C 24.340708264 29.522729222 59.859545761 C 24.912929730 30.037386483 58.534288921 C 25.881856135 31.195814507 58.633929876 O 26.104981670 31.744891545 59.762308905 O 26.404678652 31.575802051 57.526246518 H 25.342343033 28.901557044 65.956376007 C 25.430582948 29.593703891 66.782122989 H 25.235584020 29.098263043 67.755772998 C 24.431135740 30.765338765 66.607999394 C 24.387645295 31.327854402 65.217410200 C 25.201722468 32.219512168 64.541220582 N 23.428574508 30.943186670 64.285105361 C 23.631905658 31.561702693 63.107274757 N 24.715139070 32.338382625 63.248959917 H 24.889819945 37.055719018 67.047362026 C 25.452204074 36.885365983 66.121680964 C 26.279972997 38.170969318 65.930100359 O 25.786633903 39.212852743 65.456770656 C 24.475550072 36.582491935 65.005409485 C 25.103665725 36.001287427 63.756194064 O 26.341984439 35.682209999 63.751360086 O 24.305804250 35.855319684 62.776869838 N 27.574167692 38.133390242 66.374935853 C 28.490866951 39.280093998 66.368273953 C 29.487741207 39.345973945 65.194150558 O 30.267840463 40.309351438 65.098027091 H 29.083429033 39.257538995 67.291201037 N 29.445898299 38.297898318 64.343257593 C 30.202936702 38.194325015 63.095990177 C 29.439644016 37.227787087 62.164509666 O 29.486218111 37.361129845 60.928536715 C 31.654455732 37.729349822 63.324958305 O 28.787936314 36.297907297 62.813404215 O 24.506273642 42.978079183 62.891910878 O 25.609673706 38.973196610 56.287493933 O 24.715294808 31.709648870 54.831385610 O 30.702132194 30.718352162 58.513660711 O 26.555145903 39.157982600 61.961929732 O 24.345815454 40.174190235 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26.355912148 52.724403785 C 23.737486409 27.680232835 52.967304028 N 23.884455018 28.014430497 54.425979883 H 21.269147726 33.536636844 49.267083834 C 21.496000649 33.330002508 50.313001244 H 22.064080712 34.150799689 50.750806942 C 22.299957266 32.013807597 50.401318531 C 22.689297881 31.685321558 51.836203228 N 21.755556343 31.048650351 52.576714927 O 23.808877421 32.025214819 52.295251780 Cl 21.839000685 30.339999790 55.765999008 H 20.537675236 33.248637281 50.857066101 H 20.850999110 30.815758109 52.172321808 H 21.878658727 30.873901559 53.588778400 H 21.711295165 31.182047330 49.970979672 H 23.233909913 32.100068977 49.819499189 H 23.095275088 28.589771734 54.797372115 H 24.817047524 28.585106468 54.591119689 H 23.950900441 27.164517206 55.002945595 H 22.980554108 26.200286209 51.629236576 H 23.633808943 25.530314557 53.128677908 H 21.138210440 25.305075473 53.084420865 H 21.606559204 26.384220024 54.413202808 H 24.755508894 27.647328797 52.543067811 H 23.204531769 28.526942229 52.501192114 H 23.555313516 50.079837707 59.013390551 N 24.600968304 34.923453346 58.955649758 H 24.630063455 35.787777984 58.403067206 H 23.700518079 34.462229896 58.784622079 H 25.396837832 34.341657230 58.598490994 E3 Mn 24.899608339 35.382840216 60.733925525 Mn 27.336252024 35.117847981 62.096575249 Mn 27.421644285 33.194022336 60.045413334 Mn 27.776179033 32.978930803 57.315024575 Ca 27.770188585 36.616467102 59.062640747 O 26.467617109 36.381736820 61.104325391 O 28.407787722 34.607732171 60.657920897 O 26.054711188 33.907971787 61.297338296 O 28.640003543 32.436049908 58.819442975 O 26.959132715 34.100507135 58.503912572 O 26.575215528 33.643726121 55.776799525 O 28.542216055 31.632505617 56.058288940 O 27.001057368 36.731425152 56.746877220 O 28.470635989 38.842464177 58.646882489 H 30.386279002 26.554956001 57.103005012 C 30.312281987 27.064948012 58.050496971 H 30.925319007 26.579769988 58.850733012 C 28.843443773 27.357433598 58.374710973 C 28.246710044 28.332448944 57.349633355 O 28.979909461 29.356409445 57.041768738 O 27.102158785 28.116333964 56.858900112 H 33.765458989 42.205889010 52.647136006 C 33.048045020 41.804449973 53.345645986 H 33.479305990 40.971406010 53.939090006 C 31.734100680 41.399839295 52.657286864 C 30.639182610 41.155689364 53.675126282 C 30.242021386 42.201742569 54.538395039 C 30.034619877 39.895221397 53.855569425 C 29.296001099 42.001000715 55.548246476 C 29.073670239 39.680278687 54.859588365 C 28.692027806 40.730475206 55.727807061 O 27.780964437 40.523230181 56.716532389 H 33.875560994 32.213249991 54.592799991 C 32.897071008 31.686966009 54.550602011 C 31.714103537 32.620598719 54.493867644 O 30.556098749 32.183016888 54.303788508 C 32.795172320 30.716802169 55.743603842 O 32.895268735 31.428660695 56.982915038 N 31.970283961 33.951356261 54.642320202 C 30.924182993 34.954303996 54.514782005 C 30.991442257 35.773466021 53.216569977 O 30.078294336 36.597586769 52.978640554 C 30.733366152 35.795545960 55.789723238 C 29.854857123 35.180301597 56.894753438 O 29.137782043 34.153635360 56.549239920 O 29.827847479 35.731282689 58.021921354 N 31.998531491 35.478921904 52.369489277 C 32.064646999 35.924468012 50.969468007 C 30.860046997 35.427153001 50.158322994 H 21.689022998 40.969417002 58.988049997 C 22.547088003 41.319580999 59.569561002 C 22.855993842 42.796763337 59.475401120 O 23.552922793 43.356551319 60.356754931 C 23.751767400 40.427245871 59.277910271 C 23.260967832 39.006179573 59.511337685 C 24.317940086 37.949288461 59.601263514 O 25.383307591 37.979816499 58.935893746 O 23.952616170 36.994327229 60.412813183 N 22.383617720 43.492515701 58.409008967 C 22.797166998 44.863986003 58.165328002 H 21.965681998 45.497422000 57.900025002 C 23.859198587 45.001538693 57.044352407 C 25.111575215 44.232292933 57.305435030 C 25.450297425 42.940073892 56.947670781 N 26.177366201 44.701343106 58.059947140 C 27.112265317 43.735261593 58.149674930 N 26.684987003 42.653548015 57.485678796 H 25.248241998 49.914022999 59.570440001 C 24.423093999 49.401851002 59.075556001 C 24.087629117 48.169875081 59.931283339 C 25.297919663 47.257661747 60.081701531 N 25.459348365 46.585188845 61.232923580 O 26.122959974 47.138876076 59.130323760 H 19.270630988 31.358207980 59.579209995 C 20.170241021 31.259410038 58.971132014 C 21.209387869 30.470060381 59.778297521 O 21.349407722 30.638260970 61.012460829 C 20.639460366 32.634251488 58.461863133 C 21.434353679 33.417632473 59.444456472 C 22.801485083 33.459691519 59.609149580 N 20.930528521 34.266727831 60.420118543 C 21.963686078 34.808975965 61.108880772 N 23.121036691 34.338355549 60.626405972 N 21.949827280 29.575285091 59.070403972 C 23.024830984 28.754785993 59.656503026 H 22.650574012 28.351391005 60.618668980 C 24.333567669 29.541266641 59.839545562 C 24.898058032 30.047759087 58.504126437 C 25.888525734 31.187802938 58.606498014 O 26.159259917 31.684975688 59.746230123 O 26.394699769 31.608518674 57.499785420 H 25.342343001 28.901557003 65.956376015 C 25.430583001 29.593704003 66.782122966 H 25.235584000 29.098262990 67.755773015 C 24.419212917 30.756393463 66.602729099 C 24.357414400 31.303137641 65.205766808 C 25.162256729 32.190137939 64.513162143 N 23.390464672 30.906299868 64.285746761 C 23.580981543 31.510248887 63.097778038 N 24.663210306 32.291519448 63.223859648 H 24.889820006 37.055718988 67.047362014 C 25.452203986 36.885366022 66.121680982 C 26.280688534 38.168095274 65.922294427 O 25.798104423 39.203401698 65.424369067 C 24.464503643 36.570008986 65.006944864 C 25.021877781 35.899202870 63.758632397 O 26.286709830 35.617459104 63.721888163 O 24.205482083 35.646332093 62.834355827 N 27.569045283 38.136561115 66.385530558 C 28.490867012 39.280093990 66.368274011 C 29.475806588 39.329713020 65.184536682 O 30.261337638 40.285101307 65.065616657 H 29.083428995 39.257539004 67.291200993 N 29.409791662 38.274865720 64.341707202 C 30.143019362 38.161825615 63.082782073 C 29.346488148 37.219599479 62.156857015 O 29.376611877 37.356153042 60.920639387 C 31.588354350 37.665201520 63.285129869 O 28.678737708 36.301205515 62.807350044 O 24.462665907 42.961650985 62.910538001 O 25.694721598 39.007199534 56.227151251 O 24.861349815 31.836491169 54.740010374 O 30.746965806 30.689280267 58.524199872 O 26.465794090 39.158655400 61.929267868 O 24.318394701 40.167982004 63.282305017 O 25.581693228 37.745645021 53.705538906 O 26.966738923 43.382710782 61.941901287 O 28.323334093 41.125455781 61.996956681 O 27.474285185 35.826477925 54.182644326 H 30.699472010 30.376337008 66.032443972 C 31.018905972 30.890757979 65.104316039 H 31.997506017 31.360958012 65.227863992 C 30.067964753 31.977514835 64.571278274 C 28.868306869 31.430213111 63.768416123 C 28.294498946 32.456956129 62.810504158 O 28.063451182 33.635509343 63.243298771 O 28.071927767 32.086584950 61.596974100 H 36.469286999 31.575154004 63.532724000 C 36.987893002 32.139354995 62.737354999 H 37.705290999 32.836250999 63.183208999 C 36.040942985 32.848884308 61.762428075 C 35.340421270 34.080496347 62.357343893 C 34.431573879 34.818726742 61.367531242 N 33.261625996 33.996699047 61.024018045 C 32.129777004 34.467020978 60.484873961 N 32.007134507 35.763683574 60.159249284 N 31.096734565 33.627571462 60.275368189 O 23.991894994 45.671522994 63.479742006 O 29.238869004 29.787565000 60.815742003 O 26.168560000 29.356564587 54.687796187 H 30.830737690 28.028000492 57.890962242 H 28.225963546 26.442663308 58.396147284 H 28.754219886 27.848505972 59.364639289 H 32.853658843 42.620690478 54.066898058 H 31.881726412 40.496785681 52.035662004 H 31.428347596 42.209434181 51.963948486 H 30.686577591 43.200008138 54.420262911 H 30.319409042 39.054304348 53.208600692 H 29.015174913 42.833961732 56.202117451 H 28.615029231 38.690981084 54.984927614 H 27.257661062 41.691298928 57.217421582 H 32.886007549 31.093456342 53.615916422 H 33.616885027 29.975271587 55.660331551 H 31.838391876 30.161936319 55.683786030 H 32.127002329 31.149984364 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23.711093714 48.464733427 60.927489562 H 26.250146374 45.942933959 61.306403405 H 24.780537159 46.545354043 62.011746146 H 19.874946079 30.668513811 58.084167159 H 19.759170298 33.211620719 58.124567650 H 21.274803275 32.472765170 57.573401568 H 23.561881993 32.919142320 59.049569436 H 21.858541537 35.544346603 61.905950963 H 21.836170853 29.577085586 58.045985182 H 23.177224218 27.896487950 58.978003240 H 24.140743817 30.394981711 60.509920292 H 25.076225481 28.899903109 60.349341184 H 25.405440599 29.241028796 57.938694753 H 24.086260806 30.411072825 57.840266318 H 26.466665722 29.975554702 66.790333493 H 23.404839978 30.411578099 66.877132567 H 24.662847236 31.581881596 67.295620764 H 26.033555694 32.759585655 64.836253992 H 22.624144929 30.258586669 64.478938058 H 22.940927212 31.374976217 62.216422224 H 26.119148760 36.027083621 66.315902180 H 23.666210368 35.906002179 65.387491186 H 23.950371017 37.489280869 64.668175869 H 27.892167417 37.276807963 66.829549968 H 27.903997473 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56.475554201 H 27.700764174 40.343963145 61.922660585 H 29.002451138 40.995031711 61.285141526 H 26.961484852 34.245881718 55.085267596 H 26.802170881 36.506137322 53.886156120 H 31.158717871 30.101661136 64.340060158 H 29.713161126 32.632287050 65.387996293 H 30.654839745 32.631105864 63.897786987 H 29.167205733 30.550229021 63.173228684 H 28.050853221 31.104344434 64.441666668 H 37.588324382 31.388236901 62.189273662 H 36.614600945 33.172069554 60.870428660 H 35.297699674 32.113609808 61.391215520 H 34.751184748 33.800687532 63.253387641 H 36.106622176 34.801689850 62.700936237 H 34.066714511 35.754541386 61.827791226 H 35.000680974 35.087993546 60.452738293 H 31.177940749 36.057633889 59.636701379 H 32.833144881 36.349046021 60.071582587 H 30.148913907 34.026737369 60.184717058 H 31.129008039 32.718517804 60.733524605 H 24.112255480 44.680484197 63.461936128 H 23.830989003 45.918566002 64.421695993 H 29.876370056 30.041708271 60.105602667 H 28.755728345 30.621819171 61.017350822 H 26.586252295 29.026170596 55.550185183 H 25.888054272 30.299708076 54.823644278 H 29.085471691 39.329052259 59.256059198 H 25.952714766 32.973346663 55.337187618 H 28.641807535 30.643217598 56.401719465 H 33.412219000 32.987401974 60.998136980 H 27.279418462 36.330513363 55.879147834 H 25.091734527 32.871002162 62.461361735 H 19.943715280 34.461782537 60.593064416 H 31.732759821 38.530132890 59.147054650 H 30.543054217 39.864692988 57.345272199 H 31.927155734 40.967099274 57.250093395 H 31.457808286 42.826977084 58.274149961 H 30.561249866 42.977956694 59.762114456 H 33.169908995 39.566184994 58.953843992 C 32.279198012 39.175110002 58.438897009 C 31.380813467 40.288965421 57.928230653 C 30.778674979 41.068387012 59.079417988 N 30.928528007 42.381352994 59.019792012 O 30.156196102 40.500220872 60.016111636 H 32.627459856 38.542268185 57.603873506 N 22.469742535 39.042836679 54.447962248 C 23.022998973 40.393002035 54.533998888 H 22.255798005 41.057583991 54.872573027 C 23.480716309 40.853615911 53.134724011 C 24.633999081 41.823001954 53.205000320 C 25.938998939 41.365002036 52.986999678 C 24.432998949 43.206002024 53.490997816 C 27.012999059 42.258001983 53.019999243 C 25.548999050 44.110001981 53.555999130 C 26.827998956 43.625002021 53.333999844 H 23.805519080 39.973707874 52.547423706 H 22.624431816 41.295592900 52.591666239 H 26.117411912 40.307378472 52.754115840 H 23.413869553 43.588102749 53.638256243 H 28.028364318 41.885825390 52.834216426 H 25.372133541 45.170556102 53.775204603 H 27.695650773 44.295860891 53.368878450 H 21.044552066 36.869196019 54.393026906 C 21.594998919 36.938001961 55.307999144 C 22.051906392 38.360597574 55.540925123 O 22.055843101 38.887561097 56.674294015 C 22.709111704 35.849829078 55.197659362 C 22.207311475 34.539378192 55.820503841 C 23.104681798 35.608384136 53.730908769 H 20.912419832 36.695558694 56.140373928 H 23.603221027 36.187441333 55.758667381 H 21.303357710 34.178245530 55.293828287 H 21.945106827 34.669156466 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