 46 
 
   C   -1.137662043   -0.099518648    0.585652096 
   C   -1.834429424   -0.735573293   -0.484901366 
   C   -2.035547384   -0.050646122   -1.688490664 
   C   -1.592096173    1.256341801   -1.845213012 
   C   -0.964004435    1.930516101   -0.796538093 
   C   -0.747172352    1.278265814    0.446114508 
   C   -0.547221552    3.257078789   -0.995029619 
   C    0.074481247    3.974796797    0.021424525 
   C    0.274908988    3.375465706    1.253730508 
   C   -0.133287215    2.054617255    1.460967561 
   C   -2.376316471   -2.141232525   -0.390132929 
   C   -0.834426305   -0.913124848    1.851379150 
   N    0.525202883   -0.818216291    2.381836549 
   C   -1.853238052   -0.630827743    2.938852782 
   C   -1.685226856   -0.039629128    4.132279221 
   C    1.723391645   -1.054368378    1.760516562 
   C    1.815774537   -1.029355192    0.295489056 
   O    2.747059713   -1.244394346    2.407522970 
   C    2.308006236    0.126086698   -0.319462012 
   C    2.332655167    0.192182264   -1.715682978 
   C    1.914528098   -0.894683737   -2.495942400 
   C    1.469211888   -2.058185109   -1.851363533 
   C    1.425360152   -2.140084935   -0.453448733 
   N    2.771505767    1.428287638   -2.370092291 
   O    2.470513286    1.579688063   -3.562204631 
   O    3.419834362    2.238644904   -1.695099434 
   N    1.011759957   -3.198636618   -2.652367600 
   O    0.410059331   -4.107007220   -2.063134204 
   O    1.248039070   -3.178468834   -3.867119980 
   H   -2.551158065   -0.528796277   -2.519960536 
   H   -1.765432421    1.754456768   -2.797824675 
   H   -0.705824536    3.749320846   -1.953170593 
   H    0.393485860    4.999663969   -0.148822809 
   H    0.750039237    3.929652795    2.059346918 
   H    0.045759878    1.641369071    2.448612496 
   H   -1.561143891   -2.867904412   -0.344379465 
   H   -3.016272114   -2.246790587    0.491198559 
   H   -2.992331765   -2.394745345   -1.259953159 
   H   -0.919119927   -1.980873465    1.624337485 
   H    0.615204315   -0.987873049    3.375118418 
   H   -2.862157054   -0.966344023    2.697214342 
   H   -2.530714913    0.089947778    4.802890447 
   H   -0.732150123    0.351192563    4.471620978 
   H    2.621067746    0.970158993    0.293534209 
   H    1.929851388   -0.832514682   -3.583339125 
   H    1.079232321   -3.037939804    0.054034501 
