 46 
 
   C   -0.008205305    0.403061350   -1.765149490 
   C   -0.613973821   -0.644409879   -2.518756913 
   C   -0.550371087   -0.622179060   -3.916897806 
   C    0.096303457    0.409347223   -4.585319763 
   C    0.701199722    1.451890502   -3.882047549 
   C    0.663176814    1.474839778   -2.462589334 
   C    1.345545590    2.470446460   -4.605319680 
   C    1.966104197    3.532807240   -3.957018596 
   C    1.947132365    3.587469609   -2.574069959 
   C    1.308237923    2.578986235   -1.844965353 
   C   -1.330086280   -1.809733965   -1.882878107 
   C   -0.080304381    0.353607259   -0.231831064 
   N    1.243122156    0.183892546    0.353330142 
   C   -0.835654480    1.521624491    0.369108852 
   C   -0.449530412    2.376982124    1.328889150 
   C    1.594709139   -0.316616124    1.576304002 
   C    0.601411420   -1.033524335    2.394881753 
   O    2.725715606   -0.169963835    2.025605322 
   C    0.047369528   -2.232517345    1.939546263 
   C   -0.873462791   -2.907650568    2.750071976 
   C   -1.223270336   -2.412952676    4.014212986 
   C   -0.630679615   -1.223119386    4.462330944 
   C    0.287491506   -0.531820225    3.661824673 
   N   -1.487934507   -4.145140014    2.258589157 
   O   -2.062617610   -4.866102942    3.083570135 
   O   -1.402254341   -4.379902102    1.045555736 
   N   -0.982288149   -0.689694869    5.784790935 
   O   -0.545814207    0.428273053    6.087721289 
   O   -1.702360964   -1.388662899    6.509591779 
   H   -1.005935092   -1.416964927   -4.505056452 
   H    0.123247102    0.386475071   -5.673079077 
   H    1.369556294    2.442849462   -5.693183712 
   H    2.459897272    4.311671039   -4.531296869 
   H    2.426365460    4.412807518   -2.053593286 
   H    1.328313625    2.686664669   -0.765541787 
   H   -0.634111136   -2.394439230   -1.274598555 
   H   -2.166064819   -1.458672895   -1.269720391 
   H   -1.749052948   -2.487870378   -2.634524172 
   H   -0.662609702   -0.515080505    0.073254560 
   H    2.009026281    0.654094745   -0.112038157 
   H   -1.832596712    1.665500385   -0.049383328 
   H   -1.112028551    3.174266467    1.654989538 
   H    0.527214957    2.329341834    1.799516885 
   H    0.347506887   -2.630418404    0.971757140 
   H   -1.941471428   -2.945078471    4.637553660 
   H    0.764018790    0.385626252    4.005865179 
