 46 
 
   C   -0.888135830    1.471879773   -0.938992153 
   C    0.386795901    2.038992865   -1.226820706 
   C    0.627190686    2.594445422   -2.491478911 
   C   -0.370938881    2.645294549   -3.455912101 
   C   -1.648473102    2.154508230   -3.188420503 
   C   -1.938742660    1.569483003   -1.927853302 
   C   -2.635302336    2.255503634   -4.184486178 
   C   -3.930046348    1.797880126   -3.964769693 
   C   -4.252417039    1.236731371   -2.740926982 
   C   -3.276799306    1.127697732   -1.743795465 
   C    1.542950280    2.056762568   -0.261890067 
   C   -1.199918859    0.808555060    0.411248960 
   N   -0.115458259    0.016808659    0.968470745 
   C   -1.589779955    1.825125452    1.459487027 
   C   -2.586082142    1.661474903    2.342408125 
   C    0.108258755   -1.275179855    0.549038767 
   C    1.190130662   -2.029178729    1.242556113 
   O   -0.543849353   -1.837604635   -0.321253888 
   C    1.119375187   -3.430517884    1.247062502 
   C    2.126002012   -4.179437611    1.871820478 
   C    3.212477908   -3.547561967    2.489989186 
   C    3.278270739   -2.148748090    2.469261528 
   C    2.276669898   -1.385529109    1.847938142 
   N    2.039470846   -5.645540828    1.881029544 
   O    3.036304316   -6.272741630    2.262808852 
   O    0.975515552   -6.161292829    1.516237152 
   N    4.412983302   -1.464611461    3.105055158 
   O    4.385797359   -0.226860251    3.139727258 
   O    5.319391882   -2.166461162    3.570296159 
   H    1.606064753    3.002084314   -2.737807945 
   H   -0.138777853    3.088600757   -4.421951983 
   H   -2.399595453    2.699431875   -5.149705686 
   H   -4.680803890    1.883289430   -4.745081313 
   H   -5.261434027    0.879225196   -2.553045596 
   H   -3.602701835    0.687768987   -0.806014207 
   H    1.222444561    2.311355754    0.751224404 
   H    2.053997455    1.090100271   -0.266917714 
   H    2.278663415    2.820076894   -0.541119590 
   H   -2.014971848    0.090101551    0.285510988 
   H    0.300492655    0.355035889    1.822197849 
   H   -1.045580098    2.767179031    1.464191305 
   H   -2.832626965    2.444106019    3.053802112 
   H   -3.179802236    0.752435181    2.370888778 
   H    0.278137013   -3.924372408    0.758430859 
   H    3.992501409   -4.134050972    2.974744632 
   H    2.362350743   -0.302235678    1.812814833 
