 46 
 
   C   -1.368007798    0.243866769    0.259445675 
   C   -0.854618672    1.557105371    0.472239586 
   C   -0.512601268    2.355062696   -0.629571886 
   C   -0.624312119    1.876505533   -1.927809878 
   C   -1.081795719    0.583554948   -2.173792527 
   C   -1.463616293   -0.257409363   -1.095109258 
   C   -1.141324151    0.130228263   -3.501880490 
   C   -1.565926209   -1.158875410   -3.803162817 
   C   -1.938767943   -2.008901751   -2.776245504 
   C   -1.889241928   -1.565918101   -1.450669091 
   C   -0.664244580    2.192391996    1.827177133 
   C   -1.785988823   -0.675160270    1.416757400 
   N   -0.785202769   -1.651729701    1.868035103 
   C   -2.488264172   -0.015530605    2.587550477 
   C   -2.199503857   -0.078108571    3.897367345 
   C    0.526479759   -1.372479697    2.167083729 
   C    1.415771892   -0.876234469    1.098603000 
   O    1.000895945   -1.634131622    3.266589545 
   C    2.263358545    0.202465474    1.364379895 
   C    3.069510125    0.703546028    0.334906194 
   C    3.066353199    0.118075151   -0.938872312 
   C    2.245118010   -0.993643850   -1.165644457 
   C    1.431640004   -1.507615106   -0.149639886 
   N    3.911784908    1.875884220    0.588394149 
   O    4.816643862    2.115432985   -0.221935901 
   O    3.659183385    2.557151990    1.591107675 
   N    2.222670388   -1.620753084   -2.490367764 
   O    2.656172217   -0.958103006   -3.442919876 
   O    1.788140821   -2.777830300   -2.570059329 
   H   -0.147235219    3.370895242   -0.482240228 
   H   -0.340349730    2.530872469   -2.750251777 
   H   -0.844389682    0.781089094   -4.322776261 
   H   -1.595834745   -1.498208276   -4.835215791 
   H   -2.260403506   -3.023316459   -2.999557860 
   H   -2.171821624   -2.294847942   -0.695711879 
   H   -1.616062838    2.576516117    2.205252068 
   H   -0.222039922    1.494052161    2.540655950 
   H    0.032063576    3.037625962    1.772695038 
   H   -2.597033872   -1.308188793    1.036832297 
   H   -1.166478267   -2.214473800    2.618269074 
   H   -3.364610909    0.568712293    2.302804577 
   H   -2.814589086    0.448829051    4.621849595 
   H   -1.349490167   -0.626792286    4.291652031 
   H    2.263177869    0.652369777    2.356155363 
   H    3.689420236    0.518984928   -1.737186433 
   H    0.795371127   -2.372966051   -0.325181695 
