 46 
 
   C   -0.855939421    1.410935318   -0.937737651 
   C    0.431454397    1.750037422   -1.446185190 
   C    0.583779561    2.039685510   -2.809406815 
   C   -0.507372992    2.050081869   -3.668089556 
   C   -1.791610947    1.784853690   -3.194348305 
   C   -1.997493968    1.471456021   -1.824741169 
   C   -2.868942063    1.839289680   -4.095786093 
   C   -4.172811451    1.601034870   -3.675387489 
   C   -4.412785945    1.309518206   -2.343673554 
   C   -3.347181177    1.248943695   -1.438590836 
   C    1.685259224    1.796572668   -0.614165511 
   C   -1.076134493    1.026244125    0.534821888 
   N   -0.055942263    0.136827772    1.070661361 
   C   -1.202504384    2.180535900    1.506841033 
   C   -1.085602162    3.494122967    1.261543523 
   C   -0.145773764   -1.228892345    0.924469840 
   C    0.949680374   -2.052909316    1.511724238 
   O   -1.083382978   -1.795689999    0.376639088 
   C    0.670366324   -3.395236697    1.814065317 
   C    1.670718226   -4.216561667    2.352385123 
   C    2.957357464   -3.718169889    2.590415894 
   C    3.228653538   -2.380883581    2.276352200 
   C    2.235459442   -1.546393310    1.737177668 
   N    1.365215324   -5.616843674    2.673563104 
   O    2.315990135   -6.355917187    2.961050170 
   O    0.179090190   -5.968054053    2.645529842 
   N    4.573968590   -1.837488511    2.511566783 
   O    4.746489525   -0.629799579    2.297583844 
   O    5.446366739   -2.617269901    2.913362788 
   H    1.566315536    2.269568485   -3.217954800 
   H   -0.341214584    2.284349207   -4.717489684 
   H   -2.697860115    2.073418082   -5.144709008 
   H   -4.994168933    1.646854501   -4.384658493 
   H   -5.427097198    1.126088225   -1.998914697 
   H   -3.612456452    1.027235619   -0.409181079 
   H    1.507913187    2.246995179    0.365101604 
   H    2.098372287    0.790994759   -0.500594176 
   H    2.452592305    2.417354444   -1.091384383 
   H   -2.002159863    0.452698432    0.620059203 
   H    0.679364151    0.562833304    1.610812511 
   H   -1.457439069    1.886290382    2.524535591 
   H   -1.225314424    4.221126815    2.056108690 
   H   -0.865087752    3.884250842    0.272240398 
   H   -0.329152276   -3.788896912    1.622722413 
   H    3.732071406   -4.359765653    3.009332131 
   H    2.478950303   -0.521426653    1.472328054 
