453
 
O     1.968     0.014     0.025        
O     -0.4     0.479     -0.405        
O     -2.227     1.28     -1.838        
O     -3.258     1.584     -5.467        
O     -0.593     3.668     -3.679        
O     0.087     0.019     -3.313        
O     -1.553     3.013     0.357        
O     3.488     2.138     1.175        
O     1.311     -0.583     3.722        
O     -0.302     -2.692     2.468        
O     -1.104     -2.229     -0.258        
O     5.328     3.69     0.92        
O     0.374     -1.849     5.574        
O     -2.084     -4.253     1.887        
O     -1.7     -2.101     -2.608        
O     -2.592     4.864     1.535        
O     -0.625     5.65     -5.081        
O     0.879     -1.101     -5.31        
O     -4.568     1.361     -7.49        
C     1.786     0.371     1.471        
C     1.449     -0.905     2.26        
C     0.117     -1.452     1.728        
C     0.247     -1.786     0.232        
C     0.694     -0.535     -0.545        
C     -0.798     1.48     -1.45        
C     -0.661     2.887     -0.843        
C     -0.033     1.42     -2.788        
C     -2.376     1.944     -3.176        
C     -0.957     2.207     -3.736        
C     -3.17     0.993     -4.092        
C     3.1     0.954     2.011        
C     4.852     2.652     1.541        
C     5.719     1.936     2.595        
C     7.008     2.738     2.852        
C     7.836     2.017     3.934        
C     9.144     2.783     4.211        
C     9.932     2.052     5.316        
C     11.254     2.789     5.61        
C     12.016     2.044     6.726        
C     13.348     2.758     7.028        
C     14.186     2.285     7.962        
C     13.838     1.023     8.779        
C     14.972     0.717     9.779        
C     14.594     -0.497     10.651        
C     15.714     -0.786     11.674        
C     15.247     -1.869     12.664        
C     16.382     -2.208     13.658        
C     1.151     -1.838     4.533        
C     2.004     -3.073     4.188        
C     1.799     -4.212     5.202        
C     2.641     -5.407     4.712        
C     2.39     -6.661     5.57        
C     3.198     -7.827     4.968        
C     2.923     -9.127     5.746        
C     3.74     -10.276     5.126        
C     3.471     -11.579     5.904        
C     4.164     -12.696     5.642        
C     5.254     -12.72     4.55        
C     5.85     -14.138     4.456        
C     6.938     -14.179     3.364        
C     7.538     -15.598     3.284        
C     8.624     -15.647     2.189        
C     9.224     -17.065     2.114        
C     -1.729     -3.028     2.137        
C     -2.759     -1.885     2.086        
C     -4.212     -2.381     2.002        
C     -5.084     -1.111     2.015        
C     -6.552     -1.416     1.672        
C     -7.314     -0.076     1.662        
C     -8.769     -0.285     1.207        
C     -9.497     1.072     1.232        
C     -10.956     0.886     0.775        
C     -11.838     1.89     0.873        
C     -11.418     3.258     1.448        
C     -12.616     4.224     1.399        
C     -12.206     5.596     1.972        
C     -13.417     6.551     1.933        
C     -13.016     7.928     2.496        
C     -14.231     8.877     2.458        
C     -1.054     -2.728     -1.67        
C     -0.355     -4.063     -1.978        
C     0.074     -4.088     -3.456        
C     1.064     -5.248     -3.668        
C     1.451     -5.34     -5.156        
C     2.608     -6.344     -5.314        
C     2.924     -6.54     -6.81        
C     4.14     -7.475     -6.95        
C     4.39     -7.785     -8.438        
C     5.419     -8.561     -8.808        
C     6.41     -9.098     -7.756        
C     7.485     -9.959     -8.446        
C     8.504     -10.449     -7.398        
C     9.58     -11.311     -8.087        
C     10.615     -11.782     -7.046        
C     11.686     -12.649     -7.738        
C     -1.597     4.444     0.812        
C     -0.456     5.411     0.441        
C     -0.627     6.753     1.173        
C     0.54     7.674     0.768        
C     0.426     9.025     1.496        
C     1.613     9.918     1.088        
C     1.522     11.269     1.823        
C     2.716     12.153     1.416        
C     2.633     13.505     2.151        
C     3.566     14.446     1.955        
C     4.742     14.197     0.989        
C     5.658     15.436     0.954        
C     6.831     15.182     -0.013        
C     7.749     16.419     -0.052        
C     8.923     16.165     -1.02        
C     9.842     17.402     -1.059        
C     -1.117     4.472     -4.839        
C     -2.278     3.942     -5.7        
C     -2.858     4.992     -6.66        
C     -4.044     4.31     -7.376        
C     -4.783     5.285     -8.308        
C     -5.985     4.547     -8.932        
C     -6.736     5.488     -9.892        
C     -7.938     4.752     -10.514        
C     -8.658     5.7     -11.494        
C     -9.728     5.295     -12.192        
C     -10.292     3.868     -12.032        
C     -11.518     3.7     -12.95        
C     -12.099     2.28     -12.8        
C     -13.32     2.12     -13.726        
C     -13.907     0.701     -13.578        
C     -15.128     0.543     -14.506        
C     0.938     -0.045     -4.554        
C     1.896     1.102     -4.944        
C     2.491     0.841     -6.342        
C     3.268     2.09     -6.806        
C     3.917     1.833     -8.182        
C     4.606     3.122     -8.674        
C     5.334     2.856     -10.008        
C     5.99     4.16     -10.503        
C     6.772     3.895     -11.806        
C     7.402     4.894     -12.439        
C     7.337     6.335     -11.894        
C     8.146     7.28     -12.804        
C     8.06     8.72     -12.258        
C     8.862     9.675     -13.164        
C     8.768     11.113     -12.615        
C     9.572     12.07     -13.518        
C     -4.202     0.836     -6.36        
C     -4.678     -0.579     -5.99        
C     -5.514     -1.149     -7.15        
C     -6     -2.556     -6.758        
C     -6.847     -3.152     -7.898        
C     -7.318     -4.556     -7.478        
C     -8.162     -5.186     -8.599        
C     -8.61     -6.588     -8.15        
C     -9.455     -7.254     -9.252        
C     -9.946     -8.489     -9.072        
C     -9.672     -9.252     -7.76        
C     -10.35     -10.634     -7.807         
C     -10.07     -11.388     -6.492        
C     -10.748     -12.771     -6.533        
C     -10.471     -13.527     -5.22        
C     -11.15     -14.91     -5.264        
C     -10.876     -15.672     -3.952        
C     -11.554     -17.055     -3.998        
C     10.306     -17.116     1.016        
C     10.91     -18.533     0.94        
C     15.854     -3.185     14.732        
C     17.03     -3.763     15.547        
C     12.728     -13.119     -6.701        
C     13.796     -13.99     -7.392        
C     -13.834     10.258     3.017        
C     -15.05     11.206     2.977        
C     -15.714     -0.876     -14.36        
C     -16.934     -1.038     -15.288        
C     11.016     17.149     -2.027        
C     11.936     18.385     -2.068        
C     9.478     13.508     -12.971        
C     10.282     14.467     -13.872        
H     0.987     1.106     1.577        
H     2.247     -1.629     2.099        
H     -0.62     -0.664     1.863        
H     0.982     -2.58     0.108        
H     0.853     -0.804     -1.585        
H     -0.959     3.632     -1.576        
H     0.378     3.048     -0.554        
H     0.948     1.884     -2.691        
H     -2.911     2.883     -3.046        
H     -0.864     1.834     -4.756        
H     -4.169     0.863     -3.676        
H     -2.661     0.03     -4.136        
H     3.871     0.187     1.949        
H     2.963     1.258     3.049        
H     5.986     0.942     2.234        
H     5.163     1.848     3.528        
H     6.752     3.741     3.194        
H     7.587     2.805     1.93        
H     8.074     1.008     3.594        
H     7.251     1.957     4.852        
H     8.91     3.797     4.538        
H     9.742     2.825     3.301        
H     10.151     1.035     4.99        
H     9.33     2.016     6.225        
H     11.04     3.808     5.935        
H     11.865     2.816     4.708        
H     12.218     1.023     6.403        
H     11.402     2.023     7.627        
H     13.616     3.656     6.472        
H     15.124     2.807     8.152        
H     13.712     0.175     8.106        
H     12.912     1.193     9.326        
H     15.128     1.585     10.42        
H     15.892     0.503     9.232        
H     14.444     -1.372     10.018        
H     13.67     -0.275     11.184        
H     15.946     0.124     12.228        
H     16.606     -1.127     11.15        
H     14.966     -2.768     12.114        
H     14.382     -1.499     13.215        
H     16.745     -1.297     14.138        
H     17.202     -2.674     13.112        
H     3.055     -2.787     4.172        
H     1.718     -3.442     3.203        
H     0.744     -4.489     5.23        
H     2.125     -3.899     6.194        
H     3.698     -5.145     4.752        
H     2.369     -5.633     3.682        
H     1.328     -6.906     5.556        
H     2.708     -6.478     6.598        
H     4.262     -7.593     5.014        
H     2.906     -7.968     3.927        
H     1.861     -9.366     5.695        
H     3.215     -8.995     6.79        
H     4.802     -10.032     5.177        
H     3.448     -10.41     4.084        
H     2.706     -11.594     6.68        
H     3.951     -13.602     6.211        
H     6.042     -12.013     4.807        
H     4.814     -12.445     3.592        
H     5.06     -14.847     4.206        
H     6.289     -14.41     5.416        
H     7.725     -13.465     3.609        
H     6.498     -13.916     2.402        
H     6.75     -16.312     2.985        
H     7.982     -15.858     4.246        
H     9.41     -14.931     2.427        
H     8.179     -15.389     1.227        
H     8.436     -17.781     1.879        
H     9.67     -17.322     3.075        
H     -2.568     -1.273     1.205        
H     -2.643     -1.272     2.98        
H     -4.452     -3.015     2.856        
H     -4.358     -2.932     1.073        
H     -4.701     -0.411     1.272        
H     -5.031     -0.646     3        
H     -6.982     -2.086     2.419        
H     -6.61     -1.879     0.687        
H     -6.823     0.613     0.974        
H     -7.304     0.352     2.665        
H     -9.268     -0.981     1.882        
H     -8.78     -0.688     0.194        
H     -8.994     1.769     0.562        
H     -9.478     1.468     2.248        
H     -11.276     -0.072     0.364        
H     -12.865     1.736     0.542        
H     -10.596     3.666     0.857        
H     -11.096     3.136     2.482        
H     -13.434     3.814     1.991        
H     -12.942     4.345     0.366        
H     -11.394     6.012     1.374        
H     -11.872     5.475     3.002        
H     -14.226     6.135     2.534        
H     -13.754     6.666     0.903        
H     -12.208     8.346     1.895        
H     -12.676     7.815     3.527        
H     -15.036     8.459     3.06        
H     -14.572     8.987     1.428        
H     -1.035     -4.891     -1.777        
H     0.527     -4.163     -1.347        
H     0.566     -3.147     -3.706        
H     -0.804     -4.218     -4.09        
H     0.607     -6.187     -3.353        
H     1.958     -5.065     -3.072        
H     1.774     -4.361     -5.512        
H     0.589     -5.671     -5.736        
H     2.323     -7.301     -4.877        
H     3.491     -5.962     -4.801        
H     3.151     -5.578     -7.268        
H     2.061     -6.986     -7.305        
H     3.942     -8.406     -6.418        
H     5.018     -6.991     -6.522        
H     3.709     -7.396     -9.196        
H     5.568     -8.793     -9.862        
H     5.876     -9.705     -7.025        
H     6.892     -8.26     -7.252        
H     7.999     -9.362     -9.2        
H     7.012     -10.817     -8.926        
H     7.991     -11.044     -6.642        
H     8.978     -9.59     -6.924        
H     10.082     -10.721     -8.854        
H     9.109     -12.179     -8.55        
H     10.114     -12.369     -6.275        
H     11.09     -10.915     -6.587        
H     12.183     -12.064     -8.51        
H     11.212     -13.518     -8.192        
H     -0.463     5.595     -0.633        
H     0.498     4.968     0.728        
H     -0.611     6.587     2.25        
H     -1.575     7.21     0.887        
H     0.515     7.839     -0.309        
H     1.484     7.199     1.037        
H     0.445     8.862     2.574        
H     -0.51     9.512     1.219        
H     1.589     10.086     0.011        
H     2.548     9.423     1.355        
H     1.546     11.1     2.9        
H     0.591     11.768     1.554        
H     2.69     12.321     0.339        
H     3.645     11.65     1.682        
H     1.808     13.699     2.837        
H     3.492     15.396     2.484        
H     4.356     14.005     -0.012        
H     5.315     13.334     1.329        
H     6.046     15.629     1.954        
H     5.086     16.3     0.614        
H     6.442     14.987     -1.013        
H     7.401     14.317     0.327        
H     8.139     16.614     0.947        
H     7.179     17.284     -0.393        
H     8.534     15.97     -2.019        
H     9.492     15.3     -0.68        
H     10.231     17.597     -0.06        
H     9.272     18.267     -1.399        
H     -3.084     3.637     -5.038        
H     -1.928     3.092     -6.284        
H     -2.104     5.301     -7.385        
H     -3.209     5.856     -6.096        
H     -4.746     3.939     -6.629        
H     -3.671     3.469     -7.962        
H     -4.107     5.624     -9.093        
H     -5.138     6.143     -7.736        
H     -6.661     4.22     -8.142        
H     -5.629     3.676     -9.484        
H     -6.058     5.81     -10.686        
H     -7.09     6.361     -9.343        
H     -8.626     4.448     -9.726        
H     -7.586     3.871     -11.051        
H     -8.288     6.716     -11.628        
H     -10.21     5.989     -12.88        
H     -10.59     3.708     -10.996        
H     -9.528     3.141     -12.308        
H     -11.218     3.861     -13.986        
H     -12.278     4.433     -12.678        
H     -12.402     2.119     -11.766        
H     -11.338     1.546     -13.072        
H     -13.016     2.281     -14.76        
H     -14.08     2.855     -13.455        
H     -14.214     0.541     -12.544        
H     -13.148     -0.034     -13.848        
H     -14.82     0.703     -15.54        
H     -15.886     1.278     -14.237        
H     2.702     1.171     -4.214        
H     1.355     2.047     -4.972        
H     1.684     0.638     -7.046        
H     3.159     -0.02     -6.298        
H     4.045     2.326     -6.078        
H     2.58     2.932     -6.884        
H     3.151     1.536     -8.898        
H     4.656     1.036     -8.089        
H     5.33     3.453     -7.93        
H     3.856     3.9     -8.817        
H     4.618     2.503     -10.752        
H     6.102     2.098     -9.856        
H     6.674     4.531     -9.742        
H     5.214     4.904     -10.688        
H     6.823     2.884     -12.21        
H     7.959     4.685     -13.352        
H     7.752     6.363     -10.888        
H     6.298     6.665     -11.868        
H     7.738     7.249     -13.816        
H     9.188     6.96     -12.826        
H     8.468     8.749     -11.248        
H     7.015     9.036     -12.236        
H     8.456     9.644     -14.176        
H     9.907     9.362     -13.186        
H     9.174     11.143     -11.604        
H     7.724     11.425     -12.594        
H     9.167     12.04     -14.53        
H     10.616     11.757     -13.54        
H     -5.292     -0.538     -5.092        
H     -3.814     -1.221     -5.815        
H     -4.902     -1.206     -8.049        
H     -6.372     -0.501     -7.332        
H     -6.605     -2.492     -5.853        
H     -5.139     -3.198     -6.572        
H     -6.244     -3.222     -8.804        
H     -7.712     -2.515     -8.084        
H     -7.918     -4.48     -6.57        
H     -6.448     -5.185     -7.281        
H     -7.564     -5.268     -9.508        
H     -9.038     -4.566     -8.794        
H     -9.206     -6.499     -7.24        
H     -7.731     -7.199     -7.948        
H     -9.654     -6.722     -10.182        
H     -10.542     -8.953     -9.858        
H     -10.07     -8.685     -6.919        
H     -8.598     -9.384     -7.634        
H     -9.952     -11.206     -8.646        
H     -11.426     -10.507     -7.934        
H     -10.468     -10.814     -5.653        
H     -8.996     -11.513     -6.366        
H     -10.352     -13.344     -7.372        
H     -11.824     -12.645     -6.659        
H     -10.868     -12.955     -4.38        
H     -9.394     -13.654     -5.092        
H     -10.753     -15.482     -6.104        
H     -12.224     -14.782     -5.392        
H     -11.272     -15.102     -3.111        
H     -9.801     -15.801     -3.823        
H     -11.158     -17.63     -4.834        
H     -12.63     -16.93     -4.121        
H     -11.358     -17.588     -3.067        
H     11.096     -16.4     1.25        
H     9.862     -16.861     0.054        
H     10.126     -19.252     0.702        
H     11.362     -18.791     1.898        
H     11.673     -18.561     0.162        
H     15.168     -2.663     15.4        
H     15.322     -4.004     14.25        
H     17.578     -2.941     16.008        
H     17.697     -4.323     14.892        
H     16.646     -4.425     16.324        
H     12.232     -13.703     -5.926        
H     13.208     -12.251     -6.248        
H     14.298     -13.409     -8.166        
H     13.322     -14.862     -7.842        
H     14.529     -14.318     -6.656        
H     -13.03     10.678     2.413        
H     -13.494     10.15     4.046        
H     -15.857     10.793     3.583        
H     -15.391     11.321     1.948        
H     -14.764     12.181     3.373        
H     -16.022     -1.038     -13.326        
H     -14.956     -1.613     -14.63        
H     -16.632     -0.883     -16.324        
H     -17.697     -0.307     -15.02        
H     -17.344     -2.043     -15.178        
H     10.628     16.955     -3.027        
H     11.588     16.285     -1.688        
H     12.332     18.581     -1.07        
H     11.372     19.252     -2.41        
H     12.764     18.2     -2.754        
H     9.884     13.54     -11.96        
H     8.433     13.822     -12.95        
H     9.878     14.442     -14.884        
H     11.327     14.16     -13.892        
H     10.21     15.481     -13.48      
