 40 
 
   C   -0.700016797   -1.862473483   -0.512497994 
   C   -1.704843298   -2.135326127    0.429160446 
   C   -2.353331890   -3.373385869    0.447155711 
   C   -2.017453926   -4.364863820   -0.479601319 
   C   -1.003850871   -4.109129306   -1.407926172 
   C   -0.354346949   -2.871708187   -1.426954420 
   C   -2.690363692   -5.704782982   -0.437593248 
   C   -0.000136840   -0.514776294   -0.499734881 
   N    1.396149803   -0.671925962   -0.124428238 
   C   -0.045380061    0.186671847   -1.834764265 
   C   -0.727249939    1.314585971   -2.084061128 
   C    2.292330212    0.284442907    0.265269311 
   O    3.496269120    0.055728172    0.295334968 
   C    1.819557450    1.627457182    0.645054729 
   C    0.956819135    1.793109771    1.732053684 
   C    0.551559951    3.085739934    2.087941132 
   C    1.012698817    4.207110090    1.383634862 
   C    1.897295115    4.017085145    0.311656745 
   C    2.311114473    2.731642183   -0.058657311 
   N    2.391172837    5.179976081   -0.437198333 
   O    2.101591799    6.302972474   -0.004155661 
   O    3.055781556    4.965499397   -1.459070118 
   N   -0.376389422    3.263938290    3.210689560 
   O   -0.537302137    4.411534870    3.644357994 
   O   -0.948070071    2.254291988    3.643286012 
   H   -1.992315006   -1.386701827    1.164756417 
   H   -3.124022630   -3.558610740    1.192571599 
   H   -0.712152126   -4.873609537   -2.125061566 
   H    0.427284675   -2.706436750   -2.165181491 
   H   -3.720980101   -5.613230359   -0.078873089 
   H   -2.733193386   -6.151859652   -1.436352618 
   H   -2.142125208   -6.378064143    0.228477269 
   H   -0.483179224    0.120355823    0.249447558 
   H    1.843847608   -1.539545917   -0.392173658 
   H    0.527958509   -0.256353902   -2.646805215 
   H   -0.711030747    1.761989345   -3.074180138 
   H   -1.327171883    1.805188272   -1.324285032 
   H    0.624204354    0.921266587    2.293494250 
   H    0.691177539    5.209243054    1.666387661 
   H    3.008093710    2.572955167   -0.881173028 
