 46 
 
   C   -1.600017985   -1.071959064    0.280699754 
   C   -0.859095163   -1.352196828    1.463866748 
   C   -1.466652422   -1.193869971    2.726096713 
   C   -2.798962579   -0.804505687    2.854900990 
   C   -3.532521000   -0.539982719    1.700858858 
   C   -2.961598308   -0.677515038    0.422362016 
   C   -3.412061477   -0.612827503    4.209833510 
   O   -0.670157578    1.556182764   -1.691412026 
   C    0.585820195   -1.778789046    1.469495925 
   C   -1.002319490   -1.195728341   -1.129497351 
   N    0.266815627   -0.501379326   -1.259219008 
   C   -0.793305001   -2.602505920   -1.646845587 
   C   -1.159388869   -3.760993279   -1.077841793 
   C    0.310399476    0.858503637   -1.466493666 
   C    1.650887057    1.498708423   -1.389258515 
   C   -3.841605594   -0.366287289   -0.763591778 
   C    1.719586901    2.840680771   -0.987233844 
   C    2.962660114    3.483631987   -0.914145260 
   C    4.142320232    2.803441169   -1.244478752 
   C    4.057698797    1.467075608   -1.656347360 
   C    2.819894667    0.810221438   -1.735769780 
   N    3.030802834    4.886691999   -0.482843068 
   O    4.135548628    5.443925765   -0.527878419 
   O    1.984566655    5.422136947   -0.096021919 
   N    5.282318436    0.737910355   -2.011985271 
   O    5.184222267   -0.481943529   -2.201581657 
   O    6.333167764    1.385827157   -2.092946568 
   H   -0.886647156   -1.381635132    3.628928961 
   H   -4.568026487   -0.216231387    1.795491140 
   H   -2.969897852   -1.299132185    4.939734551 
   H   -3.254206240    0.415250021    4.549985784 
   H   -4.487829195   -0.816272010    4.184837009 
   H    0.854040252   -2.255621086    2.419340027 
   H    0.796733804   -2.518922973    0.694947964 
   H    1.236018134   -0.908156106    1.341034577 
   H   -1.664847904   -0.713304522   -1.854329819 
   H    1.081095598   -0.990392809   -0.926045685 
   H   -0.318059502   -2.659284400   -2.625631362 
   H   -0.966199447   -4.707535397   -1.573776281 
   H   -1.668486458   -3.801803329   -0.119287564 
   H   -3.859817179   -1.210359361   -1.460353552 
   H   -4.878673588   -0.184701673   -0.460656790 
   H   -3.487173226    0.534837047   -1.273584758 
   H    0.799077925    3.369063196   -0.734743198 
   H    5.107574073    3.305683100   -1.185025555 
   H    2.766300265   -0.215935474   -2.093588343 
