 40 
 
   C   -2.026972800   -0.053537900   -1.012516700 
   C   -3.268106000   -0.078725100   -0.365816600 
   C   -3.960113600   -1.280796600   -0.190850800 
   C   -3.432504100   -2.496322600   -0.651078300 
   C   -2.188729700   -2.465076900   -1.304507600 
   C   -1.498741400   -1.265834600   -1.483222900 
   C   -4.157173200   -3.800155500   -0.422198400 
   C   -1.268364600    1.253053600   -1.191986100 
   N    0.089766700    1.158832500   -0.645413700 
   C   -1.201335100    1.769956600   -2.614791400 
   C   -1.808160700    1.244056900   -3.681722000 
   C    0.418581700    1.646007700    0.584195600 
   O   -0.323956200    2.340965400    1.258468000 
   C    1.795286000    1.279446300    1.095575900 
   C    2.360426600    2.111008800    2.073684100 
   C    3.604428400    1.786674200    2.607610200 
   C    4.310339400    0.647299400    2.224759000 
   C    3.717736200   -0.169053500    1.267284700 
   C    2.477406600    0.123730600    0.698379600 
   N    4.425668200   -1.402862700    0.842994400 
   O    5.498850300   -1.639577200    1.367162500 
   O    3.884011200   -2.093603800   -0.004263900 
   N    4.204262100    2.677970100    3.635116400 
   O    5.283593300    2.348031900    4.095231600 
   O    3.576381000    3.674233600    3.944296400 
   H   -3.699672500    0.853321300    0.010660300 
   H   -4.927619800   -1.273180300    0.319894500 
   H   -1.754613000   -3.396458500   -1.680304400 
   H   -0.538248000   -1.276823600   -2.007239400 
   H   -5.246919400   -3.653866900   -0.365542800 
   H   -3.948948400   -4.526371400   -1.223434000 
   H   -3.839075400   -4.263750900    0.528660700 
   H   -1.758542800    2.024676800   -0.576580700 
   H    0.776072800    0.645692800   -1.184687600 
   H   -0.598296200    2.679849900   -2.724152000 
   H   -1.715577500    1.711478700   -4.665934700 
   H   -2.422923100    0.342414300   -3.610574600 
   H    1.820991400    2.994709800    2.415031000 
   H    5.277493400    0.403690500    2.660934700 
   H    2.063298000   -0.581103400   -0.023120900 
