 40 
 
   C   -1.189247423   -1.531087162    0.309763156 
   C   -1.381640172   -2.905316400    0.092337068 
   C   -2.223945552   -3.649710286    0.922402951 
   C   -2.894060997   -3.037847944    1.986291165 
   C   -2.686863479   -1.675601564    2.224745190 
   C   -1.845277420   -0.929418938    1.395251671 
   C   -3.770103904   -3.844782045    2.898140079 
   C   -0.260631026   -0.707154367   -0.563888941 
   N    1.121553706   -1.019106434   -0.236324416 
   C   -0.521704082   -0.899566644   -2.043129930 
   C    0.314005417   -1.345631784   -2.994139460 
   C    2.223931821   -0.221756661   -0.378710608 
   O    3.349363718   -0.701174591   -0.459987051 
   C    2.072214373    1.244205970   -0.433964228 
   C    1.414974688    1.926238758    0.594724046 
   C    1.319123723    3.322165104    0.534765917 
   C    1.890375757    4.040931382   -0.524533757 
   C    2.568077129    3.337721123   -1.531552245 
   C    2.668251051    1.941077020   -1.490126966 
   N    3.176280662    4.073997433   -2.647545432 
   O    3.177094020    5.310238897   -2.582980532 
   O    3.640093925    3.414086247   -3.586294428 
   N    0.600420366    4.037393956    1.594795731 
   O    0.754778955    5.262930800    1.665210429 
   O   -0.124425615    3.367356668    2.342756101 
   H   -0.874669343   -3.410775741   -0.727277215 
   H   -2.351941700   -4.713366425    0.732807462 
   H   -3.178461756   -1.184913248    3.062377602 
   H   -1.704377331    0.127635932    1.612064644 
   H   -4.237964886   -4.674100818    2.357245972 
   H   -3.177670119   -4.250164798    3.724099942 
   H   -4.577260117   -3.229581681    3.309548647 
   H   -0.447627081    0.352695059   -0.368201409 
   H    1.355215374   -2.003881439   -0.234363303 
   H   -1.531728351   -0.631262703   -2.354804906 
   H   -0.019630292   -1.431649557   -4.024670574 
   H    1.337669487   -1.641833613   -2.786461937 
   H    1.000111170    1.367258589    1.432484996 
   H    1.810759442    5.127101951   -0.563034466 
   H    3.204936285    1.386648839   -2.259825357 
