 46 
 
   C    0.669698950    0.778328595   -1.687830300 
   C    1.251932662    1.949446252   -2.257032070 
   C    1.536101289    1.983526729   -3.629073287 
   C    1.295315328    0.883339776   -4.440680798 
   C    0.767761556   -0.293758792   -3.912108458 
   C    0.450983001   -0.380416497   -2.530060192 
   C    0.562536592   -1.383863753   -4.775698431 
   C    0.051275717   -2.588757274   -4.307481333 
   C   -0.257245759   -2.716245378   -2.964902150 
   C   -0.059733883   -1.636119172   -2.096821475 
   C    1.551294083    3.212395230   -1.489067143 
   C    0.302443793    0.708011743   -0.200130640 
   N    1.497390510    0.613047360    0.625946904 
   C   -0.554206375    1.845986202    0.305030583 
   C   -1.895194061    1.826889781    0.342783586 
   C    1.615979722    0.249796754    1.938616218 
   C    0.459516793   -0.328317392    2.643483942 
   O    2.662761680    0.404749053    2.556275268 
   C   -0.042680910   -1.574192729    2.259412380 
   C   -1.134757196   -2.109227768    2.952652187 
   C   -1.708596919   -1.427091406    4.034651516 
   C   -1.167924983   -0.190533481    4.418642804 
   C   -0.079553181    0.362770454    3.732360943 
   N   -1.691814806   -3.396965887    2.525978177 
   O   -2.458935705   -3.975676169    3.305230632 
   O   -1.366522156   -3.814109610    1.405938282 
   N   -1.756553366    0.539605175    5.548793533 
   O   -1.347104894    1.687180136    5.766942276 
   O   -2.633486190   -0.035900004    6.206195966 
   H    1.954882888    2.879990449   -4.083818659 
   H    1.535820877    0.957175956   -5.499490661 
   H    0.806430781   -1.302252710   -5.833450842 
   H   -0.098728812   -3.422173795   -4.988022420 
   H   -0.650324055   -3.655119701   -2.581672673 
   H   -0.314757787   -1.825331518   -1.060076709 
   H    0.639806257    3.804430355   -1.364619186 
   H    2.000630033    3.004218351   -0.515930989 
   H    2.278143307    3.835735934   -2.023105594 
   H   -0.281770396   -0.187844518   -0.002611711 
   H    2.354638233    0.984686983    0.236323931 
   H   -0.047381351    2.719875019    0.707415092 
   H   -2.451210518    2.674160503    0.734221595 
   H   -2.467659780    0.985007788   -0.035532499 
   H    0.425528543   -2.112908266    1.437243501 
   H   -2.559544195   -1.850798984    4.567451841 
   H    0.354816909    1.317253601    4.027627238 
