 43 
 
   C    0.840606432    0.853141559   -1.695742563 
   C    1.895384353    1.546699943   -1.055036294 
   C    3.208119457    1.434105356   -1.493710815 
   C    3.499677234    0.624606681   -2.583912318 
   C    2.488022010   -0.077024246   -3.253611778 
   C    1.136357083    0.025249771   -2.824175594 
   C    2.827041623   -0.880963777   -4.354676481 
   C    1.856030355   -1.593450174   -5.052331740 
   C    0.530532032   -1.508566603   -4.656503765 
   C    0.176663766   -0.712840603   -3.562241106 
   C   -0.573386204    1.012196281   -1.132582913 
   N   -0.596399965    0.577697771    0.260343614 
   C   -1.148620502    2.413955765   -1.180816863 
   C   -0.693651675    3.481771816   -1.854098197 
   C   -1.719120849    0.026738348    0.832445360 
   C   -1.580420269   -0.458480692    2.232233008 
   O   -2.793037330   -0.100287596    0.258369979 
   C   -2.406767659   -1.510053986    2.653872468 
   C   -2.315765271   -1.982711163    3.970232279 
   C   -1.412503349   -1.412424642    4.876952407 
   C   -0.602744331   -0.353347134    4.446366564 
   C   -0.683173366    0.131309140    3.131522013 
   N   -3.176444146   -3.091546372    4.404115885 
   O   -3.165136170   -3.385444736    5.606695446 
   O   -3.852968634   -3.666142755    3.541909177 
   N    0.345671850    0.263717187    5.383670674 
   O    0.294740571   -0.090534783    6.568016692 
   O    1.140017411    1.096101910    4.925726597 
   H    4.002653452    1.979872014   -0.991622855 
   H    4.533883351    0.549155939   -2.914486709 
   H    3.862053343   -0.958207586   -4.682178505 
   H    2.135623980   -2.209625397   -5.902474378 
   H   -0.236132138   -2.058529220   -5.196659524 
   H   -0.879095768   -0.686402459   -3.308926191 
   H   -1.282867252    0.376541663   -1.664883199 
   H    0.298592850    0.481010074    0.715425700 
   H   -2.075752133    2.542415200   -0.621809724 
   H   -1.227715185    4.426595214   -1.813374409 
   H    0.197481008    3.446517600   -2.472928872 
   H   -3.114246314   -1.948542164    1.948828706 
   H   -1.343809933   -1.783804518    5.899144572 
   H   -0.075207260    0.979215366    2.822203830 
   H    1.685816032    2.200320155   -0.209288608 
