 46 
 
   C   -0.482439060    0.631991696    1.593034007 
   C    0.099884359    1.308664009    2.701859693 
   C   -0.722156379    1.787861370    3.741757157 
   C   -2.108919678    1.655550458    3.700259868 
   C   -2.685652107    1.003660626    2.613020531 
   C   -1.900710395    0.498628216    1.559737461 
   C   -2.958012396    2.151983602    4.832345634 
   O    1.896268722    2.070696733   -2.192541590 
   C    1.584277392    1.508210670    2.881697607 
   C    0.355827873    0.076815764    0.434243532 
   N    0.860002630    1.158968560   -0.398536985 
   C    1.454025614   -0.869492900    0.872833374 
   C    2.775963172   -0.791503849    0.652468329 
   C    1.286148763    1.129964834   -1.697330400 
   C    1.034375179   -0.059526873   -2.528936786 
   C   -2.630974067   -0.172874873    0.422977697 
   C    2.127435203   -0.767571161   -3.037674451 
   C    1.898812202   -1.882264966   -3.854200250 
   C    0.593560128   -2.283057636   -4.176151272 
   C   -0.484614360   -1.541366474   -3.673398235 
   C   -0.273423062   -0.421287247   -2.860205728 
   N    3.041688268   -2.644944326   -4.372972611 
   O    2.804312248   -3.547109508   -5.186717434 
   O    4.168473872   -2.345313629   -3.957314179 
   N   -1.857840085   -1.946633868   -3.991898950 
   O   -2.768495909   -1.456547513   -3.310355599 
   O   -2.016542946   -2.759867543   -4.910725028 
   H   -0.267932364    2.278157233    4.602408440 
   H   -3.768351152    0.887227993    2.583233369 
   H   -3.074464026    1.366321714    5.585163452 
   H   -2.505689071    3.030542388    5.304386067 
   H   -3.949527168    2.450649029    4.476002127 
   H    1.789747067    2.305409882    3.605628401 
   H    2.044317917    0.591808411    3.262726862 
   H    2.072832576    1.817047224    1.955865444 
   H   -0.276793797   -0.542626268   -0.202497554 
   H    1.099643477    2.019207546    0.076290803 
   H    1.095089360   -1.728578060    1.440609037 
   H    3.445430605   -1.556519827    1.035967577 
   H    3.231719519    0.033425396    0.113994392 
   H   -2.328848045   -1.221449958    0.339065820 
   H   -3.715979493   -0.162232829    0.574077278 
   H   -2.433923555    0.353833620   -0.514914324 
   H    3.136997674   -0.439605084   -2.792279733 
   H    0.419815209   -3.154042943   -4.807569983 
   H   -1.105359834    0.177791513   -2.495432865 
