 46 
 
   C    0.845136800    1.048100600   -0.061451200 
   C    2.007550900    0.680054900   -0.743788300 
   C    1.899898800    0.144527800   -2.058375100 
   C    0.683657000   -0.046808200   -2.668681700 
   C   -0.513730100    0.356662800   -2.022969700 
   C   -0.432625100    0.965685500   -0.723168900 
   C   -1.784038200    0.132966300   -2.624807200 
   C   -2.946516400    0.527256800   -1.997885700 
   C   -2.875260300    1.191225600   -0.750019900 
   C   -1.658389700    1.403525300   -0.133792200 
   C    3.398958000    0.724906700   -0.144922900 
   C    0.874532300    1.412503200    1.432996300 
   N    1.656888700    0.444702900    2.230689900 
   C    1.368792300    2.820330300    1.682048900 
   C    0.653701800    3.753797400    2.314700900 
   C    1.638084300   -0.920224300    2.113881200 
   C    0.460063900   -1.497072700    1.360398200 
   O    2.526681100   -1.632456600    2.547596100 
   C    0.721611300   -2.249908400    0.208295500 
   C   -0.342857800   -2.645680000   -0.595557800 
   C   -1.671312300   -2.382873400   -0.264401700 
   C   -1.900524000   -1.693515700    0.920080900 
   C   -0.860806700   -1.239654700    1.734374500 
   N   -0.052694000   -3.281305200   -1.899947600 
   O   -0.988018400   -3.425963600   -2.670433500 
   O    1.102934800   -3.593967200   -2.129960800 
   N   -3.290199900   -1.323962100    1.267420200 
   O   -3.454619200   -0.631772100    2.259490900 
   O   -4.177781600   -1.712878800    0.528468100 
   H    2.814882300   -0.159062000   -2.574058300 
   H    0.626179200   -0.515476300   -3.654683400 
   H   -1.818466200   -0.376419700   -3.591224100 
   H   -3.918301700    0.334573900   -2.458070600 
   H   -3.793554200    1.521283300   -0.257932500 
   H   -1.653708700    1.919271800    0.826119800 
   H    3.547864200    1.554378300    0.557172300 
   H    3.634712200   -0.204950900    0.400713800 
   H    4.149455400    0.831965100   -0.942705000 
   H   -0.154444000    1.378079300    1.807556800 
   H    2.472477600    0.794980100    2.725152500 
   H    2.357432000    3.074537900    1.284628200 
   H    1.034929300    4.769590400    2.451478100 
   H   -0.343511500    3.540731600    2.715115600 
   H    1.743476000   -2.465197300   -0.100618600 
   H   -2.488066300   -2.670245700   -0.921793800 
   H   -1.100474100   -0.656243000    2.622871400 
