 46 
 
   C   -1.036105917    1.518608067   -1.034344636 
   C   -0.437987072    2.807532018   -0.937467373 
   C   -0.061778435    3.483639378   -2.106851507 
   C   -0.214553224    2.898930242   -3.357422268 
   C   -0.729205764    1.609460579   -3.484692617 
   C   -1.134633569    0.886601723   -2.332314011 
   C   -0.828940570    1.043229182   -4.767495000 
   C   -1.310749684   -0.248656025   -4.949213182 
   C   -1.692036334   -0.991721928   -3.845203013 
   C   -1.602178554   -0.435960470   -2.564295243 
   C   -0.196720480    3.537480338    0.358443999 
   C   -1.527843324    0.744200164    0.196650273 
   N   -0.406539018    0.063050017    0.815555536 
   C   -2.241546695    1.542645228    1.261535046 
   C   -3.543585616    1.863622482    1.216391491 
   C   -0.477803975   -1.248158709    1.217630550 
   C    0.759326023   -1.830490358    1.803230852 
   O   -1.480801188   -1.944910726    1.131767514 
   C    0.622550892   -2.854331782    2.751933918 
   C    1.764746124   -3.442232118    3.312329312 
   C    3.046761102   -3.024728824    2.931739392 
   C    3.168344919   -2.010358591    1.973164390 
   C    2.034376570   -1.413157801    1.401113912 
   N    1.616014810   -4.506303631    4.314338368 
   O    2.643790028   -5.088810658    4.684610759 
   O    0.476545708   -4.748529371    4.731686265 
   N    4.503571479   -1.561051590    1.558859030 
   O    4.573139770   -0.517363431    0.896327714 
   O    5.472639510   -2.247799363    1.905476987 
   H    0.364005545    4.484367465   -2.052814204 
   H    0.093992140    3.461960710   -4.235973251 
   H   -0.522637610    1.609790979   -5.644866535 
   H   -1.379214819   -0.672521396   -5.947081710 
   H   -2.059282917   -2.007325563   -3.969686998 
   H   -1.898422086   -1.085956441   -1.744364098 
   H   -1.122308060    3.994361987    0.719912864 
   H    0.225023931    2.873683373    1.117521890 
   H    0.536127990    4.342565428    0.228690458 
   H   -2.262523574   -0.005126041   -0.110108274 
   H    0.422410995    0.614701094    0.970501016 
   H   -1.678950840    1.828872123    2.145976450 
   H   -4.011327881    2.414470997    2.026328168 
   H   -4.168785785    1.583394133    0.373269247 
   H   -0.376500204   -3.183019034    3.041485557 
   H    3.932984958   -3.482077205    3.370970859 
   H    2.146608007   -0.656577800    0.626754081 
