    1  C    0.000000
    2  C    1.414406   0.000000
    3  C    2.440001   1.401829   0.000000
    4  C    2.822332   2.437665   1.408002   0.000000
    5  C    2.445981   2.817755   2.436705   1.407075   0.000000
    6  C    1.415251   2.441220   2.808729   2.432205   1.402324   0.000000
    7  C    1.472053   2.538733   3.810402   4.293068   3.768571   2.469659   0.000000
    8  H    2.181702   1.094024   2.162524   3.425493   3.911715   3.437276   2.786956   0.000000
    9  H    2.173926   3.432469   3.904328   3.426489   2.169916   1.095614   2.658086   4.342013   0.000000
   10  H    3.917404   3.428324   2.173363   1.095076   2.173605   3.425143   5.388048   4.326147   4.332054   0.000000
   11  N    2.459881   2.984797   4.379670   5.169174   4.891107   3.691992   1.317191   2.724180   3.962945   6.246916   0.000000
   12  C    3.825514   4.451928   5.847089   6.599391   6.201523   4.905954   2.450328   4.117515   4.934316   7.684830   1.467494   0.000000
   13  H    2.717029   2.714400   4.084124   5.109091   5.115415   4.104177   2.057618   2.095261   4.598255   6.135439   1.052788   2.121815   0.000000
   14  C    4.802715   5.211874   6.560076   7.415022   7.139726   5.923944   3.597166   4.723774   6.018536   8.464489   2.477899   1.535906   2.806509   0.000000
   15  H    4.012829   4.928541   6.279352   6.825746   6.205283   4.830555   2.548353   4.812429   4.613655   7.919086   2.098379   1.102954   3.006233   2.189829   0.000000
   16  H    4.375518   4.888493   6.282035   7.104627   6.769800   5.499311   3.058795   4.442885   5.555002   8.180013   2.090925   1.106573   2.410922   2.181946   1.784729   0.000000
   17  H    4.956143   5.059245   6.362833   7.381470   7.316572   6.216160   3.953837   4.373438   6.491971   8.388719   2.688588   2.167065   2.581270   1.106939   3.093281   2.536306   0.000000
   18  H    4.694404   5.159716   6.425462   7.177927   6.856644   5.686588   3.616039   4.807803   5.752203   8.200520   2.733292   2.165799   3.186759   1.106959   2.516689   3.088959   1.778640   0.000000
   19  O    2.825770   3.694876   4.746880   5.089311   4.506545   3.374699   2.231621   3.920544   3.357650   6.094470   2.839809   3.434876   3.266058   4.936150   3.383247   3.347192   5.284769   5.326930   0.000000
   20  H    2.199218   3.488498   4.636300   4.861702   4.045495   2.646221   1.093859   3.859412   2.366869   5.935273   2.053804   2.636701   3.001081   3.817206   2.252514   3.318711   4.434418   3.735765   2.390766   0.000000
   21  H    2.775208   3.638457   4.448974   4.576659   3.933243   2.978565   2.660388   4.081504   2.975201   5.511526   3.532414   4.312673   3.902260   5.780898   4.220703   4.304847   6.105313   6.071946   0.978075   2.790663   0.000000
   22  O    3.824230   3.799825   4.796414   5.645830   5.668298   4.851999   3.513004   3.439891   5.288255   6.545408   3.335442   3.975738   2.968237   5.180377   4.532355   3.453732   5.037700   5.850108   2.448923   4.240884   2.883186   0.000000
   23  H    3.136178   3.557827   4.624634   5.237396   4.967862   3.989988   2.679777   3.503397   4.243921   6.207989   2.861005   3.518954   2.896289   4.925512   3.808638   3.185604   5.038018   5.473237   1.197863   3.210719   1.743181   1.251475   0.000000
   24  H    4.720591   4.768290   5.769063   6.597118   6.569422   5.708732   4.239196   4.366953   6.043273   7.485595   3.954183   4.289893   3.640250   5.483261   4.808173   3.546107   5.360937   6.276861   2.911291   4.843070   3.420929   0.976073   1.808696   0.000000
   25  O    3.959565   3.462800   4.591854   5.826117   6.138450   5.346548   3.608267   2.510714   5.977619   6.730305   2.726411   3.395507   1.745662   3.891646   4.392104   3.144416   3.278107   4.519123   4.059908   4.582776   4.647048   2.526456   3.186219   3.039593   0.000000
   26  H    3.770801   3.438930   4.547869   5.659118   5.871606   5.060645   3.427382   2.703225   5.634658   6.572939   2.808056   3.502397   2.052186   4.361235   4.348653   3.088676   3.962922   5.033063   3.306569   4.347571   3.858910   1.470012   2.281617   2.034699   1.062290   0.000000
   27  H    4.273212   3.458917   4.357743   5.687747   6.219136   5.626497   4.227470   2.420506   6.389278   6.486878   3.481934   4.302323   2.446390   4.686952   5.295320   4.116384   3.963781   5.214817   4.716329   5.270450   5.164685   2.999707   3.792633   3.563489   0.975696   1.637810   0.000000
   28  C    6.215149   6.706279   8.071718   8.900374   8.543661   7.266536   4.896760   6.206512   7.224861   9.962265   3.846528   2.550771   4.203519   1.538353   2.833942   2.784642   2.175524   2.180957   5.900209   4.915474   6.814160   6.153815   5.915653   6.247761   5.039746   5.443356   5.875868   0.000000
   29  H    6.562822   6.993761   8.381946   9.274028   8.961215   7.677675   5.224866   6.413783   7.663839  10.341404   4.117335   2.776032   4.343787   2.170493   3.166899   2.550339   2.521401   3.090668   5.850719   5.314676   6.810389   5.822726   5.720545   5.756262   4.856639   5.173523   5.722328   1.107281   0.000000
   30  H    6.372955   7.072919   8.436557   9.120093   8.596515   7.261394   4.977947   6.723118   7.053227  10.196990   4.149819   2.774277   4.731990   2.172632   2.604592   3.095378   3.088417   2.534785   5.887781   4.750501   6.780460   6.536594   6.105867   6.613851   5.768739   6.032476   6.652781   1.107541   1.773306   0.000000
   31  H    3.436289   3.912582   3.430771   2.174747   1.094831   2.166343   4.635504   5.006545   2.496775   2.507415   5.833230   7.068567   6.143820   8.030267   6.948995   7.656323   8.285418   7.693515   5.213001   4.718440   4.541068   6.579713   5.799582   7.441880   7.207280   6.896523   7.303716   9.387868   9.836395   9.350035    0.000000
   32  H    3.429974   2.163133   1.094887   2.173980   3.429637   3.903615   4.697822   2.482485   4.999211   2.504161   5.060705   6.511225   4.569567   7.098727   7.068811   6.878894   6.742842   7.002776   5.580627   5.604755   5.321565   5.201898   5.270982   6.149235   4.735388   4.798461   4.279634   8.615417   8.883825   9.089869    4.336836   0.000000
   33  C    7.324977   7.677467   8.980631   9.864004   9.598585   8.391754   6.122050   7.106888   8.405071  10.886259   5.034447   3.924121   5.256122   2.557149   4.257254   4.221571   2.795342   2.797273   7.344134   6.190712   8.235295   7.449064   7.310616   7.568046   5.968107   6.556102   6.679064   1.536536   2.174828   2.175056   10.453377   9.428525   0.000000
   34  H    8.300356   8.707693  10.031256  10.898096  10.582382   9.337038   7.033502   8.139720   9.281139  11.933054   5.971126   4.740310   6.226097   3.520594   4.951894   4.902753   3.809037   3.813585   8.087592   7.018611   9.006486   8.209753   8.070440   8.226855   6.861410   7.392724   7.598568   2.195249   2.521467   2.521713   11.413930  10.493937   1.104448   0.000000
   35  H    7.306999   7.696422   8.937904   9.741975   9.443110   8.277517   6.182531   7.216429   8.265016  10.737604   5.213684   4.251648   5.518200   2.826667   4.470498   4.789903   3.163758   2.613725   7.656968   6.186362   8.488688   7.974231   7.735549   8.202115   6.440740   7.066544   7.106229   2.192943   3.102344   2.542330   10.249153   9.411556   1.105567   1.784873   0.000000
   36  H    7.473587   7.622891   8.885754   9.886740   9.777775   8.646589   6.383470   6.927018   8.794267  10.875369   5.186983   4.251835   5.186486   2.824404   4.820822   4.453852   2.609144   3.158553   7.627213   6.631211   8.511684   7.395711   7.432212   7.522257   5.632605   6.343648   6.237704   2.191877   2.540562   3.101792   10.696839   9.211298   1.105415   1.784555   1.784169   0.000000
