 46 
 
   C   -0.929027585    1.351257298   -0.853951788 
   C    0.371037543    1.685508126   -1.334560535 
   C    0.557768372    1.948723787   -2.698978327 
   C   -0.510327358    1.937181998   -3.586324031 
   C   -1.805974102    1.678043961   -3.141378151 
   C   -2.047035126    1.392022266   -1.771701677 
   C   -2.859427665    1.711248294   -4.071604443 
   C   -4.173444417    1.478871119   -3.680482141 
   C   -4.447726521    1.214919321   -2.349631047 
   C   -3.405988921    1.175296710   -1.416104858 
   C    1.601442280    1.762592270   -0.469795621 
   C   -1.190641924    0.986159829    0.618026563 
   N   -0.180989172    0.116427312    1.199123475 
   C   -1.349868631    2.153212716    1.568268427 
   C   -1.253631269    3.464402452    1.301925983 
   C   -0.188384492   -1.239745666    0.966796231 
   C    0.973391032   -2.009213452    1.486771889 
   O   -1.070054405   -1.832673226    0.359301552 
   C    1.349208378   -3.177029531    0.806974461 
   C    2.429686623   -3.937686200    1.273655333 
   C    3.138861873   -3.549865052    2.418186949 
   C    2.744778296   -2.387900866    3.094303190 
   C    1.663963332   -1.616294861    2.639744313 
   N    2.826585961   -5.154656086    0.552551045 
   O    3.693923919   -5.868388050    1.073378341 
   O    2.277128174   -5.386876983   -0.531419237 
   N    3.472067380   -1.966742531    4.299189492 
   O    3.200699754   -0.853170752    4.768157496 
   O    4.312849913   -2.746170612    4.764105432 
   H    1.549251446    2.175526091   -3.087080593 
   H   -0.317267542    2.150603668   -4.635602781 
   H   -2.661397270    1.923824318   -5.120379478 
   H   -4.976027852    1.508026625   -4.411793594 
   H   -5.470467046    1.037001106   -2.027669412 
   H   -3.697446515    0.975794775   -0.389188911 
   H    1.399421111    2.282631120    0.469833220 
   H    1.994513240    0.760771325   -0.274235727 
   H    2.396202623    2.335908295   -0.961309232 
   H   -2.110911412    0.400339936    0.684830651 
   H    0.628861622    0.565741355    1.594383451 
   H   -1.608611354    1.871294826    2.588544598 
   H   -1.414420415    4.201566700    2.083081790 
   H   -1.029746091    3.842036112    0.308577933 
   H    0.791964370   -3.479792188   -0.080854471 
   H    3.979597905   -4.142968479    2.777230776 
   H    1.345610869   -0.737759653    3.197103022 
