 40 
 
   C   -2.046937500   -0.224876800   -1.035626700 
   C   -3.244623800   -0.244500700   -0.311640400 
   C   -3.937890300   -1.441206100   -0.109002000 
   C   -3.455680500   -2.655709000   -0.619251600 
   C   -2.256593900   -2.629148800   -1.351532200 
   C   -1.563863900   -1.435547000   -1.555974800 
   C   -4.178674200   -3.954962500   -0.361127700 
   C   -1.283363900    1.079286300   -1.242728500 
   N    0.073207800    0.985213800   -0.689580100 
   C   -1.230282000    1.483572300   -2.698257300 
   C   -1.755769900    2.608785800   -3.187129000 
   C    0.390756300    1.483517300    0.537109800 
   O   -0.377916700    2.140586000    1.220968100 
   C    1.788347300    1.182292500    1.035303400 
   C    2.309169700    2.025322200    2.027905300 
   C    3.574178900    1.766141700    2.547661800 
   C    4.345843500    0.680871100    2.135924000 
   C    3.797397400   -0.148673300    1.163579400 
   C    2.537040000    0.079466800    0.609184600 
   N    4.576997200   -1.325822000    0.705520000 
   O    5.665463000   -1.510319900    1.218869500 
   O    4.073744900   -2.026373100   -0.157397000 
   N    4.125843100    2.670778400    3.590123100 
   O    5.227231500    2.398994900    4.035586000 
   O    3.440175600    3.619752100    3.924659700 
   H   -3.637682000    0.686902200    0.105947600 
   H   -4.870343200   -1.430550900    0.463330100 
   H   -1.859671900   -3.560106500   -1.767474200 
   H   -0.631834300   -1.454063000   -2.130209100 
   H   -5.257526700   -3.796331900   -0.209444000 
   H   -4.048876100   -4.663636200   -1.194103300 
   H   -3.788930600   -4.446081700    0.548263900 
   H   -1.779088400    1.870731100   -0.664706800 
   H    0.779261700    0.514445200   -1.241242500 
   H   -0.741893900    0.771752500   -3.377564300 
   H   -1.706993700    2.846783800   -4.253571700 
   H   -2.260592900    3.332359800   -2.538141200 
   H    1.718689000    2.867092300    2.390142600 
   H    5.329003800    0.486936000    2.561162800 
   H    2.162679800   -0.633674500   -0.125537200 
