 46 
 
   C   -1.561761131   -0.976482784    0.807385221 
   C   -2.770031897   -0.260053816    1.040680850 
   C   -3.236075550   -0.064431293    2.353484066 
   C   -2.528539181   -0.544688902    3.453377572 
   C   -1.346124091   -1.249668109    3.233169512 
   C   -0.837017113   -1.456945964    1.935211754 
   C   -3.061761193   -0.362750717    4.843213191 
   O   -0.215673588    0.048711751   -3.077463981 
   C   -3.601922242    0.310667191   -0.081738030 
   C   -1.064051624   -1.155156967   -0.633152975 
   N    0.116103626   -0.328322107   -0.835541010 
   C   -0.767070841   -2.568548694   -1.084244678 
   C   -1.341171941   -3.696184213   -0.637180641 
   C    0.424749039    0.232993672   -2.050407384 
   C    1.635355924    1.096845447   -2.095560506 
   C    0.436370134   -2.262831273    1.850984623 
   C    2.337689312    1.185667056   -3.306340925 
   C    3.473091612    2.002387950   -3.395300957 
   C    3.914600831    2.740490025   -2.289527974 
   C    3.195899607    2.653085676   -1.090084856 
   C    2.056097634    1.840380290   -0.985525610 
   N    4.211587685    2.082618430   -4.662660445 
   O    5.113021671    2.927196372   -4.745028412 
   O    3.893185660    1.297533539   -5.564628030 
   N    3.639943008    3.423925191    0.078928963 
   O    3.096293244    3.178340527    1.163843030 
   O    4.532741788    4.263144992   -0.093018037 
   H   -4.169001200    0.472541039    2.519772173 
   H   -0.805294561   -1.650271378    4.090261519 
   H   -3.634933567    0.566915537    4.923660636 
   H   -3.711142441   -1.202889702    5.107843147 
   H   -2.245245982   -0.303454260    5.570583086 
   H   -4.473436767    0.855938262    0.296795802 
   H   -3.012276782    1.019945986   -0.671388729 
   H   -3.976549750   -0.492875823   -0.723728572 
   H   -1.812369641   -0.795915341   -1.345545584 
   H    0.718910443   -0.204821487   -0.037775620 
   H   -0.048610545   -2.663402508   -1.896989166 
   H   -1.070763652   -4.659837924   -1.057880926 
   H   -2.097278779   -3.687489550    0.142482251 
   H    1.033609961   -2.038178044    0.966644531 
   H    1.082376002   -2.046303575    2.709914305 
   H    0.202844958   -3.331870229    1.861875104 
   H    1.988473095    0.616270608   -4.168770337 
   H    4.798973427    3.373053914   -2.361982776 
   H    1.486185134    1.814721163   -0.058645077 
