 40 
 
   C   -2.179071218    0.210375238   -0.749183673 
   C   -3.127330551    0.141957508    0.286525838 
   C   -3.936261006   -0.986537915    0.451070963 
   C   -3.819330810   -2.075045935   -0.417485897 
   C   -2.861536025   -2.027744997   -1.434250255 
   C   -2.053761341   -0.898343623   -1.598997830 
   C   -4.661549812   -3.300317913   -0.222648123 
   C   -1.303577499    1.444265776   -0.881939497 
   N   -0.028465319    1.294626853   -0.196714617 
   C   -1.090212236    1.964061908   -2.278357741 
   C   -1.506373864    3.156907858   -2.729536999 
   C    0.994471321    0.467924745   -0.598398738 
   O    1.034168811   -0.159724800   -1.648283791 
   C    2.155094211    0.370823071    0.326325933 
   C    1.990307027    0.414872227    1.716170620 
   C    3.113775465    0.294321930    2.548125439 
   C    4.396100949    0.120077683    2.011302995 
   C    4.542111293    0.061746687    0.618831108 
   C    3.430099337    0.181956973   -0.225408579 
   N    5.878009571   -0.124185246    0.036765094 
   O    6.809683894   -0.369954209    0.814190475 
   O    5.991196610   -0.015156487   -1.190681472 
   N    2.938227152    0.352644525    4.004985104 
   O    3.906984670    0.049324466    4.712264157 
   O    1.832215704    0.711207698    4.431467911 
   H   -3.246533053    0.971844080    0.979650107 
   H   -4.659249294   -1.009132850    1.263443910 
   H   -2.731236671   -2.871994296   -2.107822351 
   H   -1.312583891   -0.902387921   -2.395916764 
   H   -5.635514829   -3.040823315    0.205474160 
   H   -4.850371123   -3.800571634   -1.178334457 
   H   -4.154765413   -3.999911671    0.449119788 
   H   -1.809139975    2.245875093   -0.324217381 
   H    0.070930231    1.839928625    0.644777372 
   H   -0.553367186    1.316399253   -2.968861774 
   H   -1.310584929    3.455603456   -3.755245895 
   H   -2.049794332    3.853788839   -2.099976849 
   H    0.994780231    0.505667262    2.146475049 
   H    5.263378333    0.027944457    2.664603962 
   H    3.539075568    0.127686604   -1.309307305 
