 46 
 
   C   -1.353255849    1.423446680   -0.968079498 
   C   -2.065809147    1.150582667   -2.171111411 
   C   -1.558053558    1.596348394   -3.396716769 
   C   -0.367170359    2.308454128   -3.458706403 
   C    0.348479847    2.612223687   -2.299640345 
   C   -0.131352052    2.192588674   -1.030637352 
   C    1.546247342    3.338370655   -2.416527205 
   C    2.295735098    3.678205192   -1.295527207 
   C    1.847123702    3.303771588   -0.040877438 
   C    0.656027969    2.581418960    0.086411003 
   C   -3.358942579    0.374146618   -2.201518432 
   C   -1.886753395    0.850141845    0.357135933 
   N   -0.934141123   -0.094823567    0.914015485 
   C   -2.247655899    1.915863816    1.369710651 
   C   -2.087665984    1.873310624    2.701964711 
   C   -0.976225390   -1.431662036    0.599724571 
   C    0.210686127   -2.237286366    0.990803394 
   O   -1.916953152   -1.987038710    0.047687742 
   C    0.015326385   -3.583897718    1.328745092 
   C    1.114391767   -4.379273563    1.680654170 
   C    2.410742695   -3.847568003    1.692963838 
   C    2.591210588   -2.504355538    1.338787098 
   C    1.502501063   -1.695754518    0.980272395 
   N    0.904132231   -5.786525233    2.046411483 
   O    1.909953198   -6.484340808    2.231381869 
   O   -0.262427353   -6.184698017    2.155837922 
   N    3.941028242   -1.928506822    1.345506201 
   O    4.033302734   -0.693817697    1.327521062 
   O    4.897769950   -2.712331802    1.380594172 
   H   -2.087474270    1.384326310   -4.323821412 
   H   -0.005581949    2.629818633   -4.433499457 
   H    1.907832378    3.649965519   -3.394832635 
   H    3.219154596    4.240292802   -1.404263134 
   H    2.415622946    3.577021498    0.844556917 
   H    0.348012759    2.349206749    1.099641754 
   H   -3.191026090   -0.662551853   -1.897526988 
   H   -4.103412520    0.843299468   -1.550438810 
   H   -3.791657379    0.350800059   -3.207923001 
   H   -2.815728601    0.301185469    0.183068926 
   H   -0.126179359    0.294970570    1.368963613 
   H   -2.709166332    2.808391957    0.946820056 
   H   -2.403880353    2.708166481    3.320981808 
   H   -1.670822032    1.009818948    3.209433328 
   H   -0.993998595   -3.996914787    1.310406061 
   H    3.263311634   -4.466970472    1.970198702 
   H    1.666740067   -0.667929488    0.661473014 
