 40 
 
   C   -0.009515416   -0.023678722   -1.453029831 
   C    0.437110371   -1.350524361   -1.563570878 
   C   -0.410505890   -2.416810686   -1.254515321 
   C   -1.722662292   -2.181441200   -0.831936172 
   C   -2.187870719   -0.864655246   -0.761309213 
   C   -1.341112705    0.203091629   -1.068184577 
   C   -2.638347638   -3.329710127   -0.525014226 
   C    0.907861522    1.159532969   -1.719212937 
   N    2.251848512    0.952413602   -1.195454839 
   C    1.062615630    1.561241094   -3.165924049 
   C    0.612056799    0.928293335   -4.259423591 
   C    2.635183172    0.742658406    0.102797461 
   O    3.788320816    0.449524247    0.394048646 
   C    1.626327357    0.813654901    1.173628099 
   C    1.256936664   -0.373743886    1.814358146 
   C    0.257675772   -0.337260981    2.792607958 
   C   -0.346548173    0.875123891    3.156497035 
   C    0.064694170    2.055679456    2.519992706 
   C    1.053763738    2.036497555    1.528544736 
   N   -0.564821402    3.330497383    2.881237751 
   O   -1.249150097    3.360049382    3.911796121 
   O   -0.378347843    4.292966682    2.124727296 
   N   -0.178178886   -1.587169236    3.428155330 
   O   -1.150359586   -1.529540715    4.193168586 
   O    0.449659577   -2.620088544    3.160881259 
   H    1.456021997   -1.563863887   -1.881565157 
   H   -0.036990946   -3.435259685   -1.342880035 
   H   -3.216284267   -0.662681150   -0.468272069 
   H   -1.730789228    1.217167511   -1.002621146 
   H   -2.076850273   -4.179926147   -0.123648987 
   H   -3.380228774   -3.046335963    0.229010511 
   H   -3.159613481   -3.646062187   -1.433662417 
   H    0.501869634    2.029907536   -1.189779549 
   H    2.989503644    0.766215813   -1.863687331 
   H    1.595525445    2.499592305   -3.319912876 
   H    0.788363286    1.340583021   -5.248914044 
   H    0.058409433   -0.004457132   -4.209144024 
   H    1.729920140   -1.309711300    1.519402973 
   H   -1.125417110    0.899271325    3.918092454 
   H    1.379927049    2.948959114    1.032716201 
