 40 
 
   C   -2.121521341   -0.129689853   -0.699785637 
   C   -3.131299485   -0.537657517    0.184697947 
   C   -3.581513354   -1.860603728    0.197340470 
   C   -3.038166903   -2.804705437   -0.679578384 
   C   -2.017477860   -2.412157581   -1.550891125 
   C   -1.565096314   -1.089916917   -1.562703653 
   C   -3.499541047   -4.231311033   -0.640421595 
   C   -1.637245687    1.312815395   -0.678130371 
   N   -0.216625823    1.353094698   -0.378103365 
   C   -1.824415229    2.108049405   -1.950503233 
   C   -2.497832351    1.769435749   -3.060206175 
   C    0.223552859    1.387245350    0.925884531 
   O   -0.505582309    1.544099340    1.896957396 
   C    1.683817214    1.197056053    1.137776284 
   C    2.625621464    1.586917741    0.177523595 
   C    3.992536501    1.397901758    0.433857130 
   C    4.430995690    0.832983858    1.638623319 
   C    3.477656071    0.460168326    2.595474210 
   C    2.109275246    0.642031252    2.353458939 
   N    3.918231078   -0.131310580    3.866435037 
   O    5.136801221   -0.181896527    4.079751625 
   O    3.047366735   -0.547097036    4.640918500 
   N    4.976632921    1.800834055   -0.579685069 
   O    6.172051854    1.772835478   -0.261954093 
   O    4.545429467    2.137198102   -1.690741546 
   H   -3.567524329    0.172855554    0.884783153 
   H   -4.358801682   -2.148510804    0.901987627 
   H   -1.568511746   -3.134412386   -2.229067527 
   H   -0.779204934   -0.812353230   -2.260718764 
   H   -4.554672578   -4.292767654   -0.353785200 
   H   -3.403232572   -4.700320396   -1.625296609 
   H   -2.902903767   -4.797809354    0.081138777 
   H   -2.167672571    1.857376149    0.113560455 
   H    0.390561744    0.994660751   -1.098892875 
   H   -1.373313512    3.100072627   -1.930029164 
   H   -2.565099387    2.458413743   -3.897183525 
   H   -3.014200556    0.820025175   -3.163535817 
   H    2.301389249    2.060543134   -0.747042425 
   H    5.494183520    0.688899002    1.829367279 
   H    1.365352505    0.357007335    3.098719879 
