 40 
 
   C   -2.034572942   -0.225513762   -1.022656989 
   C   -3.215850497   -0.267756557   -0.266594792 
   C   -3.887028993   -1.474609128   -0.051691433 
   C   -3.397034473   -2.666403114   -0.594521044 
   C   -2.209632995   -2.637201882   -1.332299020 
   C   -1.537156395   -1.430780152   -1.546965219 
   C   -4.100255058   -3.965422910   -0.334643170 
   C   -1.319913920    1.100488653   -1.230724248 
   N    0.029059275    1.038200998   -0.705322683 
   C   -1.210790177    1.488568400   -2.684945788 
   C   -1.515612395    2.702180642   -3.167978187 
   C    0.305761673    1.403008755    0.590952312 
   O   -0.495696155    1.937710791    1.346558592 
   C    1.687567855    1.140784027    1.071433311 
   C    2.235390743    2.012540109    2.022967886 
   C    3.527538753    1.782419409    2.514259884 
   C    4.279015988    0.685199363    2.072539535 
   C    3.712283196   -0.185698076    1.132797290 
   C    2.419324674    0.030711858    0.632328526 
   N    4.480047209   -1.345709280    0.661285149 
   O    5.539758481   -1.607754977    1.243583555 
   O    4.019757278   -1.982758216   -0.295919625 
   N    4.102803783    2.704881967    3.502228522 
   O    5.180619850    2.385401496    4.020922323 
   O    3.480505240    3.745814526    3.748238957 
   H   -3.618283142    0.642910324    0.173841473 
   H   -4.795637905   -1.475947013    0.546584366 
   H   -1.799703277   -3.555948371   -1.746162842 
   H   -0.618565065   -1.443517768   -2.127697655 
   H   -5.179401184   -3.811341333   -0.230060477 
   H   -3.951378330   -4.663194352   -1.165414038 
   H   -3.717046355   -4.421223246    0.583465753 
   H   -1.863013922    1.885967340   -0.689577753 
   H    0.735465965    0.631951690   -1.297363951 
   H   -0.885404071    0.726135884   -3.388311759 
   H   -1.430713330    2.917496727   -4.228755157 
   H   -1.856111976    3.504533765   -2.519583089 
   H    1.644748417    2.860668710    2.371563282 
   H    5.284043247    0.510619703    2.455797955 
   H    1.975110750   -0.677415048   -0.064159429 
