 46 
 
   C   -0.758601757    1.807062688   -0.904739035 
   C    0.320031935    2.640759159   -1.322397220 
   C    0.459687712    2.961170472   -2.679991737 
   C   -0.406008688    2.442306595   -3.633949070 
   C   -1.432254934    1.571482197   -3.269540552 
   C   -1.623646300    1.223580345   -1.906255230 
   C   -2.261384906    1.045302332   -4.275467410 
   C   -3.285511161    0.154852933   -3.972229336 
   C   -3.486871745   -0.223298513   -2.656063825 
   C   -2.671245586    0.299035643   -1.646192552 
   C    1.330772625    3.256247677   -0.387788530 
   C   -0.995445591    1.467865896    0.576873241 
   N   -0.087606771    0.410525952    0.981556582 
   C   -0.906929243    2.642185641    1.529511473 
   C   -0.254276951    2.718347078    2.700310584 
   C   -0.538154588   -0.825812626    1.376262434 
   C    0.503768670   -1.855032392    1.638881261 
   O   -1.718060389   -1.128783332    1.498636184 
   C    1.780264015   -1.511224444    2.101090618 
   C    2.722374787   -2.522204367    2.346456003 
   C    2.403643021   -3.871446457    2.144433683 
   C    1.117978267   -4.201189443    1.695165735 
   C    0.167002340   -3.202517092    1.445289520 
   N    4.062376444   -2.155625670    2.824901039 
   O    4.826931315   -3.072650713    3.149377871 
   O    4.342430332   -0.950036108    2.868193551 
   N    0.763328417   -5.611057444    1.481616981 
   O   -0.338990845   -5.857487802    0.976232389 
   O    1.594387898   -6.465316602    1.816986189 
   H    1.257090070    3.624559024   -3.011237661 
   H   -0.256819114    2.717689193   -4.676092090 
   H   -2.109952743    1.324519666   -5.316448530 
   H   -3.915573888   -0.245707779   -4.761269053 
   H   -4.274906419   -0.928304137   -2.403160221 
   H   -2.876589007   -0.060580525   -0.641049603 
   H    0.915032696    4.147438503    0.091085531 
   H    1.672452749    2.543013845    0.365667838 
   H    2.231455100    3.566071824   -0.930875012 
   H   -2.025674238    1.131354704    0.714555042 
   H    0.877688839    0.541552155    0.724505653 
   H   -1.477878265    3.516095027    1.215366585 
   H   -0.293213238    3.626888176    3.294153638 
   H    0.312130055    1.886743192    3.104348974 
   H    2.029941561   -0.470361567    2.296475797 
   H    3.140777973   -4.650689012    2.336487197 
   H   -0.835950453   -3.457323891    1.100325071 
