 46 
 
   C    0.693305396   -0.922210927    0.565107544 
   C    1.206988907   -0.114601675    1.616381834 
   C    0.343951921    0.334923174    2.634465659 
   C   -1.002860000   -0.025800142    2.664808517 
   C   -1.485630082   -0.896977854    1.690365403 
   C   -0.658252644   -1.362628594    0.653440562 
   C   -1.894269188    0.452623459    3.772503977 
   O    2.759379686    1.670294332   -2.320879846 
   C    2.637453524    0.359316400    1.689835059 
   C    1.530607750   -1.326911301   -0.652843967 
   N    2.362321106   -0.261462288   -1.196325190 
   C    2.422364931   -2.509753265   -0.372527115 
   C    2.584217390   -3.553978262   -1.198774288 
   C    1.964903116    0.916220937   -1.773271290 
   C    0.548846597    1.308598158   -1.701451065 
   C   -1.266681815   -2.318696226   -0.343155792 
   C    0.149926021    2.203362801   -0.704151971 
   C   -1.207034619    2.517442160   -0.575864862 
   C   -2.154074972    1.986014621   -1.462955265 
   C   -1.719247815    1.124493200   -2.480956060 
   C   -0.367967247    0.780282214   -2.611276229 
   N   -1.645555013    3.387791853    0.521863813 
   O   -2.864866208    3.509827950    0.701913484 
   O   -0.772605999    3.946384752    1.199574617 
   N   -2.698965266    0.545701251   -3.405560945 
   O   -2.341991700   -0.432811335   -4.075468080 
   O   -3.821720789    1.064273980   -3.448988950 
   H    0.732485710    0.984434416    3.419144624 
   H   -2.523899124   -1.223146130    1.742160631 
   H   -1.592410921    1.448696375    4.113162905 
   H   -2.932649075    0.528150156    3.432851334 
   H   -1.847353420   -0.241017085    4.617528812 
   H    2.918482162    0.588263438    2.724360726 
   H    3.340705517   -0.404831398    1.352526707 
   H    2.770156486    1.269383066    1.098320617 
   H    0.860321039   -1.582609949   -1.480161232 
   H    3.341793691   -0.467661942   -1.347868608 
   H    2.944520087   -2.526565757    0.581480334 
   H    3.231078717   -4.382566916   -0.924704250 
   H    2.083023978   -3.609106910   -2.160488604 
   H   -0.622260389   -3.191886274   -0.483447503 
   H   -2.234956240   -2.696457264    0.003230484 
   H   -1.429659540   -1.820838191   -1.302567520 
   H    0.892796283    2.608587676   -0.019316443 
   H   -3.210401133    2.231223975   -1.358396445 
   H   -0.024316817    0.106229343   -3.393626121 
