 40 
 
   C   -2.093106401    0.411072713   -0.751790492 
   C   -1.998378258   -0.963305764   -1.019034586 
   C   -2.903542063   -1.869020457   -0.459463020 
   C   -3.918089977   -1.423607649    0.392761822 
   C   -4.028562120   -0.054932692    0.656021853 
   C   -3.122594148    0.851069564    0.096513832 
   C   -4.910778633   -2.392173251    0.963447435 
   C   -1.103317593    1.411058492   -1.325836432 
   N    0.183103741    1.329370006   -0.639954950 
   C   -0.927320187    1.458848222   -2.821774314 
   C   -1.801991972    1.049782997   -3.753551863 
   C    1.135281378    0.362344449   -0.876326532 
   O    1.122617158   -0.442409633   -1.797655767 
   C    2.259325372    0.302979857    0.097806646 
   C    2.867917928   -0.938322400    0.333113302 
   C    3.940100753   -1.028968579    1.230857005 
   C    4.419055592    0.108775588    1.893933504 
   C    3.809797191    1.344477917    1.639348676 
   C    2.735688146    1.451348095    0.742413807 
   N    4.300484397    2.550072004    2.320166442 
   O    5.347476828    2.454915765    2.972439161 
   O    3.629117916    3.584007522    2.202490471 
   N    4.567697239   -2.333294012    1.482498595 
   O    5.592654887   -2.348403335    2.176839950 
   O    4.030767685   -3.334742759    0.992575152 
   H   -1.219382283   -1.340455112   -1.679966852 
   H   -2.808093677   -2.926211599   -0.697763815 
   H   -4.823364170    0.316301359    1.299397203 
   H   -3.235341242    1.908571753    0.325598663 
   H   -4.452286787   -3.374110205    1.121007667 
   H   -5.279315691   -2.046741142    1.935087148 
   H   -5.759766656   -2.503038764    0.281939493 
   H   -1.461009713    2.416298983   -1.061243404 
   H    0.170801743    1.748172834    0.277805648 
   H    0.015733301    1.873274793   -3.173558431 
   H   -1.559577004    1.125915995   -4.809099812 
   H   -2.767165339    0.625399358   -3.494831139 
   H    2.497391864   -1.821270092   -0.189400370 
   H    5.252032481    0.034107038    2.592554225 
   H    2.295938313    2.422842141    0.524634078 
