 43 
 
   C    1.807609985    1.127228002    0.201026358 
   C    2.607559707    1.986186155    0.989077755 
   C    3.953560216    2.182115761    0.706892239 
   C    4.535424358    1.516721550   -0.364396275 
   C    3.786001245    0.644418954   -1.164645332 
   C    2.406649547    0.429676967   -0.895954886 
   C    4.416287158   -0.017645747   -2.231644773 
   C    3.714238952   -0.900264473   -3.047444837 
   C    2.369486393   -1.130596456   -2.805427468 
   C    1.727654857   -0.475785648   -1.749772527 
   C    0.341480711    0.951632514    0.590191175 
   N    0.246730097    0.143882392    1.798994718 
   C   -0.374492551    2.278235238    0.772259350 
   C   -0.944379046    2.783985563    1.877457412 
   C   -0.815906123   -0.586589575    2.254923536 
   C   -1.896786316   -0.966576861    1.329372243 
   O   -0.899050080   -0.930014913    3.428559631 
   C   -3.204667370   -0.568885057    1.623678958 
   C   -4.244862433   -0.956463766    0.769365827 
   C   -3.989952376   -1.743107655   -0.363904553 
   C   -2.672696877   -2.145390274   -0.624812201 
   C   -1.621759204   -1.773595301    0.222284961 
   N   -5.618788498   -0.526491970    1.060858229 
   O   -6.522311891   -0.977463400    0.344838750 
   O   -5.786274710    0.266926383    1.995947419 
   N   -2.383470700   -2.957303898   -1.810533058 
   O   -3.331088739   -3.543630724   -2.347795799 
   O   -1.209661597   -2.989399716   -2.204322760 
   H    4.549829571    2.850792331    1.322259476 
   H    5.591624726    1.682029926   -0.568261977 
   H    5.472507702    0.148166042   -2.435413002 
   H    4.218285442   -1.406735253   -3.866066878 
   H    1.811738397   -1.821943963   -3.433371339 
   H    0.675959042   -0.702909484   -1.619141685 
   H   -0.210820928    0.452915459   -0.205153596 
   H    0.901730069    0.374055419    2.535512677 
   H   -0.419982550    2.884309576   -0.133359773 
   H   -1.424171932    3.758681936    1.853500444 
   H   -0.944821876    2.262805380    2.829865853 
   H   -3.392655275    0.031251273    2.513584094 
   H   -4.800514042   -2.038065635   -1.029930852 
   H   -0.602550079   -2.112739933    0.043002372 
   H    2.177308672    2.515587878    1.837909951 
