 46 
 
   C   -1.693010915   -1.089776857    0.350465154 
   C   -0.984351970   -1.556712682    1.493734316 
   C   -1.553636298   -1.418802979    2.776071152 
   C   -2.819257628   -0.864659361    2.960847755 
   C   -3.519240890   -0.410726828    1.845601782 
   C   -2.984069178   -0.521397825    0.548946089 
   C   -3.388982533   -0.701426913    4.338292909 
   O   -0.745908149    1.553771509   -1.680281064 
   C    0.394462681   -2.162248271    1.438929091 
   C   -1.124813400   -1.187909836   -1.075206118 
   N    0.152328840   -0.509092594   -1.192601342 
   C   -1.011712261   -2.619402915   -1.556745035 
   C   -0.044016556   -3.167217725   -2.309025504 
   C    0.218638862    0.845056139   -1.423586092 
   C    1.567116211    1.466211730   -1.330304305 
   C   -3.826614763   -0.000587814   -0.589948654 
   C    1.649906775    2.814267575   -0.952483194 
   C    2.901886266    3.438096056   -0.866440758 
   C    4.076506235    2.732612933   -1.160045391 
   C    3.977927740    1.390203182   -1.548447828 
   C    2.731215196    0.752435835   -1.640374892 
   N    2.984697894    4.847925744   -0.460530512 
   O    4.099421058    5.385873289   -0.492458002 
   O    1.939703396    5.408091750   -0.106667592 
   N    5.196764927    0.634214702   -1.865947514 
   O    5.080376491   -0.585925263   -2.043488320 
   O    6.261255392    1.261487830   -1.929420054 
   H   -0.996497822   -1.753371255    3.650452398 
   H   -4.499784397    0.042072519    1.986094512 
   H   -3.038325899   -1.497678939    5.003350511 
   H   -3.089560878    0.265146600    4.755005157 
   H   -4.482613967   -0.754876319    4.318198393 
   H    0.621939173   -2.713392088    2.358796627 
   H    0.492205856   -2.885533377    0.628021654 
   H    1.147736737   -1.376006793    1.333009474 
   H   -1.799048376   -0.696936083   -1.782316212 
   H    0.947388177   -0.994449131   -0.812766551 
   H   -1.839185772   -3.263410638   -1.258191140 
   H   -0.095602749   -4.214674738   -2.592692688 
   H    0.799756706   -2.596134893   -2.680310596 
   H   -4.003909016   -0.790342996   -1.326924835 
   H   -4.810200855    0.336179563   -0.244270432 
   H   -3.339957921    0.855973571   -1.065233561 
   H    0.733463707    3.362208353   -0.728827135 
   H    5.048564997    3.220210164   -1.090605891 
   H    2.667038877   -0.279343930   -1.979675765 
