 40 
 
   C   -2.082905421   -0.231511653   -0.894199002 
   C   -1.766530303   -1.205483920   -1.855358013 
   C   -2.275667405   -2.504087655   -1.754839619 
   C   -3.093013291   -2.866452905   -0.679881512 
   C   -3.410860448   -1.904382247    0.282907924 
   C   -2.904010394   -0.606119007    0.181806979 
   C   -3.665996672   -4.249577089   -0.590527447 
   C   -1.524663077    1.182923226   -0.944623574 
   N   -0.127778941    1.179228321   -0.556812780 
   C   -1.597606190    1.826940908   -2.307779048 
   C   -2.257977136    2.964061594   -2.572770421 
   C    0.234036384    1.345679859    0.761112664 
   O   -0.544543910    1.632369780    1.661798717 
   C    1.670500653    1.131742378    1.084488078 
   C    2.681269372    1.379445648    0.147371430 
   C    4.022205883    1.175574154    0.507516313 
   C    4.367392973    0.737228579    1.792595196 
   C    3.346039445    0.507208924    2.723915884 
   C    2.002212663    0.704931065    2.378539263 
   N    3.688158837    0.049948361    4.077818558 
   O    4.889269557   -0.016931244    4.370710760 
   O    2.757836858   -0.245620220    4.838301379 
   N    5.078290774    1.426682667   -0.481865632 
   O    6.250006580    1.419917290   -0.084583370 
   O    4.727049998    1.622318576   -1.653157260 
   H   -1.123309026   -0.968167205   -2.698276038 
   H   -2.027219817   -3.233362923   -2.522919451 
   H   -4.051829481   -2.158490125    1.124386085 
   H   -3.148883764    0.115948176    0.959940443 
   H   -2.988110531   -4.983065258   -1.039634124 
   H   -3.816167592   -4.543667805    0.453597698 
   H   -4.627372790   -4.290614293   -1.111673493 
   H   -2.083105380    1.806853674   -0.234474431 
   H    0.502354523    0.704300513   -1.184217528 
   H   -1.076332435    1.341440165   -3.128177969 
   H   -2.272355921    3.379436952   -3.575815493 
   H   -2.797340153    3.504342241   -1.800047082 
   H    2.430109674    1.756820207   -0.842083818 
   H    5.411202560    0.580764420    2.063603537 
   H    1.205643344    0.531425870    3.103306199 
