 46 
 
   C   -0.691916215    0.897903484    1.460351103 
   C   -1.853284400    1.662106856    1.144007404 
   C   -2.530560066    2.374960621    2.150548751 
   C   -2.091520497    2.357562445    3.471909491 
   C   -0.976041089    1.587087008    3.795494634 
   C   -0.274297906    0.847922368    2.820781162 
   C   -2.840916615    3.101715936    4.536611484 
   O    3.596048301    0.394673099   -0.419296212 
   C   -2.405914335    1.762049642   -0.257129793 
   C    0.032360157    0.144844717    0.336270361 
   N    1.468509193    0.386142201    0.347718381 
   C   -0.242597974   -1.339832940    0.370628057 
   C   -1.016728409   -1.998956916   -0.505281695 
   C    2.425355899    0.065462879   -0.573364120 
   C    2.069232391   -0.710765105   -1.771135396 
   C    0.935286079    0.094913690    3.318353031 
   C    1.291269394   -0.134808473   -2.778447228 
   C    0.985937335   -0.892793437   -3.915464517 
   C    1.466396782   -2.201792886   -4.063105811 
   C    2.267648390   -2.747422072   -3.049025698 
   C    2.579991079   -2.005747341   -1.903217571 
   N    0.138090565   -0.308495003   -4.959888033 
   O    0.100138067   -0.882960885   -6.055064109 
   O   -0.495506314    0.715891293   -4.671944621 
   N    2.778374720   -4.117627229   -3.185163443 
   O    3.381938395   -4.604590687   -2.220425794 
   O    2.563911321   -4.703665978   -4.254348043 
   H   -3.415729854    2.957106089    1.897445087 
   H   -0.641022805    1.559221221    4.832255055 
   H   -3.313398760    4.000646813    4.126765968 
   H   -3.615653955    2.459795646    4.967056875 
   H   -2.165899775    3.426554706    5.335429122 
   H   -3.347066150    2.322266179   -0.282434662 
   H   -1.698320617    2.285247143   -0.908028451 
   H   -2.619648403    0.766955199   -0.658227720 
   H   -0.296006306    0.537419013   -0.628336824 
   H    1.814194239    1.027352326    1.049928126 
   H    0.222636207   -1.917463959    1.164387315 
   H   -1.172935387   -3.069675822   -0.406558713 
   H   -1.529418474   -1.492097260   -1.316499187 
   H    1.822366354    0.733377422    3.261814314 
   H    0.801446609   -0.206259639    4.363942730 
   H    1.119635671   -0.826331780    2.766964261 
   H    0.942715349    0.890880976   -2.671797285 
   H    1.221435315   -2.784292227   -4.950873765 
   H    3.209471259   -2.414485406   -1.113594434 
