 40 
 
   C   -0.898614054    0.425167251    1.306248373 
   C   -1.624746846    0.308762723    0.109837160 
   C   -2.098410493   -0.933207525   -0.326110079 
   C   -1.859206455   -2.088980111    0.422606624 
   C   -1.178982622   -1.978599867    1.638032796 
   C   -0.707254854   -0.737778983    2.074861051 
   C   -2.382046608   -3.417704610   -0.037955867 
   C   -0.324906897    1.739195176    1.809182754 
   N    1.124172182    1.736419718    2.003268267 
   C   -0.666712840    2.979034702    1.023696125 
   C   -1.404080093    3.998419845    1.489001227 
   C    2.151323265    1.417779834    1.156748729 
   O    3.307584508    1.738334895    1.408524844 
   C    1.896630465    0.644383474   -0.064643026 
   C    1.675575032    1.307181702   -1.272477002 
   C    1.408524272    0.548101656   -2.418501936 
   C    1.379733942   -0.853358780   -2.370189106 
   C    1.639800457   -1.492921142   -1.149867837 
   C    1.924403809   -0.751705810    0.002132475 
   N    1.579603965   -2.956906393   -1.068467544 
   O    1.130168223   -3.565921483   -2.048922060 
   O    1.980240313   -3.493738542   -0.026856253 
   N    1.130136820    1.234010578   -3.684000583 
   O    1.167794054    0.559888119   -4.721234082 
   O    0.864180609    2.442357340   -3.631487138 
   H   -1.837782229    1.180088886   -0.505278684 
   H   -2.660925696   -0.991171081   -1.256216278 
   H   -1.004934629   -2.860526071    2.251954641 
   H   -0.168383478   -0.684847367    3.020004344 
   H   -2.413038203   -3.466448991   -1.131541257 
   H   -1.733815888   -4.231418497    0.304034050 
   H   -3.391120920   -3.579327766    0.353160174 
   H   -0.735654590    1.866279314    2.821335705 
   H    1.448226725    2.319168916    2.764926250 
   H   -0.282500513    3.056253972    0.010922237 
   H   -1.607055108    4.865676775    0.866807299 
   H   -1.822031571    3.996855191    2.491305032 
   H    1.710248359    2.394349696   -1.305064229 
   H    1.154625471   -1.434368225   -3.263744352 
   H    2.129232115   -1.238778517    0.953967157 
