 46 
 
   C    0.814910059    1.083454175   -0.176977228 
   C    1.978990117    0.714079309   -0.910345622 
   C    1.847415513    0.279347780   -2.235981709 
   C    0.604959162    0.229248758   -2.855906746 
   C   -0.546753114    0.638332111   -2.183595318 
   C   -0.464524396    1.103245758   -0.845606105 
   C   -1.781834215    0.575068765   -2.850124278 
   C   -2.957247341    0.982386679   -2.227769880 
   C   -2.906448517    1.476760694   -0.935464117 
   C   -1.682667761    1.543806998   -0.262166145 
   C    3.370860530    0.677210508   -0.329558496 
   C    0.879530645    1.403692714    1.322667865 
   N    1.686576996    0.469933911    2.098378212 
   C    1.369941961    2.800628175    1.603148610 
   C    0.837987190    3.623354709    2.519506766 
   C    1.470910216   -0.871335909    2.293142000 
   C    0.407332968   -1.543437254    1.526031170 
   O    2.163278567   -1.534931933    3.054489217 
   C    0.771119635   -2.319541035    0.421519277 
   C   -0.233280107   -2.866416822   -0.385689626 
   C   -1.587872489   -2.673841931   -0.077686249 
   C   -1.923516200   -1.920499684    1.056272174 
   C   -0.932806839   -1.361172311    1.873243367 
   N    0.138433574   -3.614900846   -1.592973270 
   O   -0.778555682   -4.063020800   -2.294459493 
   O    1.344575412   -3.752191995   -1.838133263 
   N   -3.334590588   -1.673682928    1.369411208 
   O   -3.590520744   -0.772262860    2.180109044 
   O   -4.179983181   -2.378830573    0.803635051 
   H    2.722842850   -0.040725868   -2.799965647 
   H    0.551960104   -0.125630233   -3.883890571 
   H   -1.838086818    0.207869762   -3.873793751 
   H   -3.904234389    0.929713159   -2.758776909 
   H   -3.815555483    1.820319575   -0.446726548 
   H   -1.712358148    1.972455522    0.736167287 
   H    3.551905644    1.497579567    0.367052872 
   H    3.547143475   -0.278251049    0.173130523 
   H    4.123829673    0.784696470   -1.119052927 
   H   -0.111979856    1.295903846    1.767733868 
   H    2.401144921    0.856054136    2.702642045 
   H    2.187590945    3.178397667    0.993754998 
   H    1.228682630    4.627917989    2.655599060 
   H    0.009739536    3.320754479    3.153218401 
   H    1.825675422   -2.447186921    0.182071679 
   H   -2.366980993   -3.085586573   -0.718056079 
   H   -1.187540888   -0.768765692    2.749775281 
