 46 
 
   C   -1.067186500   -0.884130500   -0.033162200 
   C   -1.042782000   -1.367497400   -1.334549700 
   C   -0.967360400   -0.456690200   -2.414031500 
   C   -0.889648300    0.890944100   -2.206388400 
   C   -0.964029300    1.419910700   -0.899385100 
   C   -1.118210400    0.524831400    0.204554100 
   C   -0.874755800    2.813488500   -0.667768200 
   C   -0.961423100    3.324320600    0.600222900 
   C   -1.182125200    2.454173900    1.685954600 
   C   -1.265015700    1.097883300    1.494407300 
   C   -1.052475200   -2.841106500   -1.661907800 
   C   -1.004026600   -1.893304800    1.104583400 
   N   -0.058625100   -1.597331700    2.211371800 
   C   -2.349344200   -2.193850000    1.733831600 
   C   -3.519550600   -1.715951200    1.338221000 
   C    1.107973900   -0.899321100    2.325863900 
   C    1.718322400   -0.280079500    1.104031500 
   O    1.628408100   -0.727233700    3.416987800 
   C    2.090918700    1.057289900    1.198186100 
   C    2.547881600    1.709312600    0.065272000 
   C    2.690483300    1.064776100   -1.152587900 
   C    2.364642400   -0.278521100   -1.199111400 
   C    1.875201000   -0.961773500   -0.094200400 
   N    2.845319600    3.155421800    0.141735100 
   O    3.142544500    3.724591000   -0.896407600 
   O    2.764952200    3.689816500    1.234901100 
   N    2.471477200   -0.993120600   -2.485833100 
   O    2.148339700   -2.172180800   -2.502892700 
   O    2.860460700   -0.364123500   -3.454809600 
   H   -0.928314100   -0.848739400   -3.421805000 
   H   -0.776513200    1.569818500   -3.042057600 
   H   -0.731159400    3.470540700   -1.516470100 
   H   -0.871206200    4.388515700    0.770035800 
   H   -1.282907600    2.858907100    2.684219700 
   H   -1.438222900    0.458902000    2.344687700 
   H   -0.098958700   -3.315011200   -1.416557100 
   H   -1.841895100   -3.373298800   -1.130325900 
   H   -1.209208400   -2.990234200   -2.728547100 
   H   -0.668044100   -2.835383200    0.668602600 
   H   -0.361547400   -1.926522800    3.116790300 
   H   -2.313305200   -2.903055800    2.557306700 
   H   -4.436217000   -2.015223100    1.827939000 
   H   -3.602808500   -1.015970300    0.517370000 
   H    1.982291000    1.587184700    2.130685300 
   H    3.028557200    1.590462800   -2.030097500 
   H    1.609092600   -2.001436500   -0.188865900 
