 40 
 
   C   -0.845528386    1.301477302    0.787309440 
   C   -1.466402614    0.723247297   -0.332644886 
   C   -2.285286479   -0.402897933   -0.199930156 
   C   -2.496346912   -0.984689599    1.053267806 
   C   -1.911441832   -0.398374685    2.178908504 
   C   -1.097214784    0.729832119    2.047681525 
   C   -3.385913180   -2.184390766    1.196661733 
   C    0.088637476    2.499300942    0.697031170 
   N    1.456920474    2.225371734    1.130751102 
   C    0.076875904    3.264887262   -0.607453741 
   C    1.112589634    3.674304976   -1.356382811 
   C    2.351289812    1.263461181    0.747067904 
   O    3.541861774    1.355563767    1.025901232 
   C    1.898681592    0.072350614    0.019358306 
   C    1.894922824    0.066971952   -1.376387035 
   C    1.441449524   -1.076712653   -2.045127743 
   C    1.008529421   -2.206655222   -1.334874598 
   C    1.048415842   -2.182126280    0.066738934 
   C    1.515603464   -1.055438808    0.751513366 
   N    0.561144472   -3.337763514    0.828513309 
   O   -0.026590869   -4.229510092    0.201106563 
   O    0.765338781   -3.351469228    2.049875423 
   N    1.397496111   -1.082629677   -3.511798381 
   O    1.169484132   -2.161883670   -4.073568335 
   O    1.581859246   -0.006210177   -4.095439672 
   H   -1.317191064    1.131849845   -1.329768068 
   H   -2.756679636   -0.825706890   -1.085307823 
   H   -2.080105964   -0.820727656    3.167913182 
   H   -0.641913357    1.155062129    2.941092755 
   H   -3.346921984   -2.808256465    0.297464759 
   H   -3.066035086   -2.808570443    2.037702574 
   H   -4.419585835   -1.866507324    1.363364391 
   H   -0.291460254    3.217133385    1.438763937 
   H    1.924838617    3.005764668    1.573363476 
   H   -0.918122446    3.550327507   -0.951096277 
   H    0.943315574    4.239529786   -2.269161257 
   H    2.146498938    3.480418255   -1.089156568 
   H    2.235019549    0.945475328   -1.919990857 
   H    0.641260136   -3.086106271   -1.862438728 
   H    1.550707383   -1.025702694    1.839175546 
