 46 
 
   C    0.573386744   -0.496389513    1.010898351 
   C    0.800985440    0.741936288    1.670163235 
   C   -0.292153046    1.483059553    2.158089755 
   C   -1.600968959    1.013680968    2.049530668 
   C   -1.817915680   -0.245420770    1.493270169 
   C   -0.753724708   -1.013192554    0.988919312 
   C   -2.745267095    1.816142416    2.594580060 
   O    3.191494150    1.016220171   -2.088553044 
   C    2.166233408    1.358629505    1.843710600 
   C    1.692135020   -1.282573485    0.316357373 
   N    2.602774543   -0.449849624   -0.460814071 
   C    2.536147346   -2.165922181    1.205815308 
   C    2.467810581   -2.312963803    2.537442804 
   C    2.326354842    0.342789067   -1.542696780 
   C    0.942559088    0.430022415   -2.033838903 
   C   -1.085978460   -2.371885361    0.422877528 
   C    0.185001177    1.555028506   -1.693258056 
   C   -1.154788973    1.617040166   -2.088712158 
   C   -1.724930325    0.591802225   -2.856973748 
   C   -0.929833458   -0.506337873   -3.217803423 
   C    0.407473372   -0.597579838   -2.811589880 
   N   -1.979755490    2.755025690   -1.666509981 
   O   -3.201397412    2.674603843   -1.854118243 
   O   -1.406502752    3.723798667   -1.150923946 
   N   -1.515571750   -1.594616690   -4.007002195 
   O   -0.897465183   -2.666912207   -4.046495431 
   O   -2.594053272   -1.375559241   -4.572900229 
   H   -0.116514559    2.449352730    2.631059759 
   H   -2.833736890   -0.637512895    1.455546788 
   H   -2.910239509    1.566673750    3.647178128 
   H   -2.543716965    2.889332523    2.511238396 
   H   -3.664451641    1.615434926    2.034104267 
   H    2.181901079    2.030399078    2.709737606 
   H    2.932896704    0.604623440    2.036531602 
   H    2.435598250    1.943947511    0.959977464 
   H    1.242860956   -1.945240638   -0.430347421 
   H    3.562856933   -0.382760407   -0.147547896 
   H    3.270168604   -2.774601616    0.677979739 
   H    3.132235465   -2.999899495    3.053662581 
   H    1.756937896   -1.764856637    3.148770832 
   H   -0.404561614   -3.132492228    0.816363952 
   H   -2.098187579   -2.684994181    0.701548774 
   H   -1.031721124   -2.355632068   -0.668791482 
   H    0.636487868    2.343362166   -1.092759903 
   H   -2.769467646    0.643894483   -3.162333330 
   H    1.028604625   -1.449606782   -3.081384930 
