 46 
 
   C   -1.649739000   -0.824328673    0.873277682 
   C   -1.195957782   -1.050279437    2.202573753 
   C   -1.936045207   -0.544646058    3.290842270 
   C   -3.099805544    0.200115711    3.104546162 
   C   -3.519418935    0.470067042    1.804390672 
   C   -2.814578743   -0.023230058    0.691470415 
   C   -3.847768116    0.755455489    4.279727490 
   O    0.186243899   -0.661112134   -2.907298815 
   C    0.033940935   -1.850517698    2.547548706 
   C   -0.910131000   -1.341849520   -0.366975952 
   N    0.262318018   -0.522564857   -0.612685786 
   C   -0.487525864   -2.789834267   -0.317118542 
   C   -1.256758744   -3.814074870   -0.715851156 
   C    0.708675565   -0.244603111   -1.881606029 
   C    1.921161507    0.610957504   -1.984230485 
   C   -3.350650880    0.326286404   -0.676018801 
   C    2.764806498    0.430779138   -3.089959500 
   C    3.907369151    1.229740769   -3.231977232 
   C    4.215949916    2.215278555   -2.285206752 
   C    3.356970527    2.393576889   -1.192828806 
   C    2.208532528    1.601825730   -1.036950075 
   N    4.794745767    1.028880911   -4.385485817 
   O    5.713848147    1.842584293   -4.546526174 
   O    4.574602732    0.056501438   -5.118447736 
   N    3.660573488    3.425558095   -0.192629795 
   O    2.995075791    3.420684020    0.851450310 
   O    4.565653073    4.227972400   -0.453185694 
   H   -1.595920320   -0.737626558    4.307879745 
   H   -4.412556013    1.074534753    1.652446357 
   H   -3.755615957    0.095765791    5.148983199 
   H   -3.454359743    1.742584322    4.541221872 
   H   -4.915690424    0.847964217    4.055506922 
   H    0.355615054   -1.659637403    3.577955568 
   H   -0.173189404   -2.921241394    2.462377051 
   H    0.882623728   -1.578020356    1.915875283 
   H   -1.554416086   -1.254096456   -1.247486885 
   H    0.777187378   -0.222092115    0.199629370 
   H    0.523549067   -3.012892768    0.011199729 
   H   -0.886906784   -4.834048925   -0.685380309 
   H   -2.266842178   -3.657052865   -1.082655604 
   H   -3.717401516   -0.572951305   -1.180882041 
   H   -4.187218896    1.030948704   -0.614219873 
   H   -2.575487999    0.807650862   -1.280835858 
   H    2.518539461   -0.332048771   -3.829836691 
   H    5.106112795    2.833706359   -2.397904300 
   H    1.529890981    1.779329557   -0.204717179 
