 40 
 
   C   -0.590718437   -1.864679936   -0.570471151 
   C   -1.606500825   -2.269973596   -1.452485201 
   C   -2.281327836   -3.481879941   -1.270833149 
   C   -1.965129900   -4.318220632   -0.197260496 
   C   -0.987162987   -3.907720334    0.711603815 
   C   -0.312734299   -2.696491792    0.529527327 
   C   -2.712807788   -5.600720812    0.015672327 
   C    0.122898947   -0.526376113   -0.723676581 
   N    1.510486344   -0.615858437   -0.285507331 
   C    0.188238916   -0.011860079   -2.142819543 
   C   -0.341678235    1.145251536   -2.566379348 
   C    2.336349898    0.399368369    0.113048006 
   O    3.555000716    0.267269990    0.111544066 
   C    1.764531757    1.682867641    0.558215197 
   C    0.887159873    1.728008197    1.646199697 
   C    0.396751274    2.968437666    2.075428629 
   C    0.783854436    4.156016206    1.437330859 
   C    1.681228396    4.086827622    0.361421606 
   C    2.181995827    2.855747418   -0.078683323 
   N    2.099221040    5.320872365   -0.315495779 
   O    1.785986477    6.395807016    0.212407481 
   O    2.727478003    5.209137340   -1.376004404 
   N   -0.535905306    3.022472614    3.209187951 
   O   -0.901250737    4.139131880    3.597784125 
   O   -0.904311758    1.946633831    3.698459499 
   H   -1.896323630   -1.645922411   -2.295414352 
   H   -3.061464168   -3.765115494   -1.974473813 
   H   -0.744729767   -4.526098401    1.573410725 
   H    0.433938260   -2.406943918    1.267022750 
   H   -3.028890657   -6.031747047   -0.940124185 
   H   -2.080281441   -6.343554924    0.513015390 
   H   -3.598371963   -5.419808389    0.632585100 
   H   -0.413497370    0.191711742   -0.095709334 
   H    2.026950002   -1.415470941   -0.632249013 
   H    0.710430556   -0.638812123   -2.864398827 
   H   -0.249708299    1.446509440   -3.606417758 
   H   -0.880420403    1.810849436   -1.899765732 
   H    0.609894985    0.804243272    2.152141051 
   H    0.398418776    5.117895546    1.774902890 
   H    2.892398631    2.792195704   -0.902735627 
