 46 
 
   C   -1.733790766   -0.809515317    0.691102997 
   C   -1.186591907   -1.738900563    1.619700217 
   C   -1.655812712   -1.760156207    2.948572344 
   C   -2.635933035   -0.874473331    3.394308400 
   C   -3.141120515    0.068396439    2.502080138 
   C   -2.707641475    0.116126166    1.164599536 
   C   -3.092302216   -0.896002213    4.822717242 
   O   -0.196987953    0.842379557   -2.887075045 
   C   -0.142693310   -2.766854530    1.262972990 
   C   -1.277766099   -0.727254133   -0.771663419 
   N    0.066962990   -0.183440015   -0.843878702 
   C   -1.312080790   -2.037139599   -1.520590124 
   C   -2.359632931   -2.470073136   -2.238050867 
   C    0.488292496    0.577965398   -1.908003926 
   C    1.866505415    1.131697137   -1.816287374 
   C   -3.320341937    1.172180368    0.276908908 
   C    2.147376759    2.328682270   -2.490297044 
   C    3.439452311    2.869102799   -2.439890395 
   C    4.460762638    2.224285214   -1.729584834 
   C    4.169685881    1.021830352   -1.072176637 
   C    2.880562207    0.468382143   -1.113621088 
   N    3.726161043    4.128987636   -3.138522757 
   O    4.910437971    4.481501065   -3.215610056 
   O    2.767941109    4.762344427   -3.598912946 
   N    5.228322891    0.324927535   -0.328614271 
   O    4.902394369   -0.674158663    0.326565384 
   O    6.375735859    0.782417724   -0.399135858 
   H   -1.248374751   -2.487153380    3.650569679 
   H   -3.889766965    0.777947619    2.851914377 
   H   -3.044992532   -1.910231797    5.233051151 
   H   -2.459365911   -0.239517652    5.427678532 
   H   -4.131638114   -0.561250855    4.906447342 
   H    0.347941755   -3.160711774    2.160606117 
   H   -0.605437428   -3.611225806    0.743719708 
   H    0.655186449   -2.340564227    0.650614066 
   H   -1.923143816   -0.041711112   -1.328848802 
   H    0.585426482   -0.171772190    0.021751105 
   H   -0.410590340   -2.642816797   -1.522677265 
   H   -2.312924058   -3.408837286   -2.780842037 
   H   -3.280313515   -1.897975568   -2.302596321 
   H   -3.906113164    0.704627849   -0.520841574 
   H   -3.996957263    1.828043332    0.835663126 
   H   -2.541109304    1.810166390   -0.152356748 
   H    1.353489859    2.825381554   -3.049625869 
   H    5.463626976    2.649003719   -1.692608541 
   H    2.677156576   -0.484642806   -0.629230968 
