 46 
 
   C   -1.269158698    1.453186324   -1.046146123 
   C   -2.234815124    1.050961296   -2.013460249 
   C   -1.967513413    1.222044131   -3.376535071 
   C   -0.770092493    1.781018856   -3.803938736 
   C    0.196998552    2.194223830   -2.886505132 
   C   -0.029301189    2.048578415   -1.491977204 
   C    1.391497598    2.754161124   -3.371866752 
   C    2.388513258    3.189229741   -2.505508026 
   C    2.197730602    3.073049827   -1.139659027 
   C    1.012968201    2.516217053   -0.646239694 
   C   -3.556874028    0.425060635   -1.643645772 
   C   -1.562660981    1.202252325    0.443654251 
   N   -0.644160395    0.208289294    0.975091710 
   C   -1.544581942    2.459415642    1.287170786 
   C   -1.049709240    2.614122939    2.525537209 
   C   -1.016317109   -1.106280354    1.130233351 
   C    0.071224001   -2.061343874    1.477015792 
   O   -2.155647792   -1.529314703    0.984754741 
   C    1.195776008   -1.663219531    2.210852052 
   C    2.188460534   -2.605535472    2.520951767 
   C    2.068330314   -3.941286761    2.115817299 
   C    0.930812516   -4.328059671    1.394663022 
   C   -0.068197862   -3.397998503    1.076729176 
   N    3.369901011   -2.180754182    3.284255746 
   O    4.165051733   -3.056881573    3.646169052 
   O    3.496445019   -0.970161172    3.512862823 
   N    0.784980950   -5.725383168    0.964475038 
   O   -0.165855799   -6.003453039    0.222941714 
   O    1.628114991   -6.537318199    1.367957191 
   H   -2.695122613    0.913759467   -4.125156516 
   H   -0.602785684    1.891967312   -4.873528501 
   H    1.554455825    2.859229534   -4.443048161 
   H    3.303828704    3.623075340   -2.898419840 
   H    2.963031050    3.421454273   -0.450621230 
   H    0.922112919    2.476144052    0.433932837 
   H   -3.399753847   -0.538459187   -1.151571422 
   H   -4.129456160    1.094015734   -0.993483058 
   H   -4.176147627    0.237623309   -2.527955976 
   H   -2.576493869    0.812719917    0.564699772 
   H    0.334467488    0.428958025    0.885083108 
   H   -2.013685765    3.325852851    0.820872071 
   H   -1.113445562    3.574896951    3.028214127 
   H   -0.594949440    1.796264013    3.074078272 
   H    1.284955250   -0.637239571    2.562236852 
   H    2.843651500   -4.667152021    2.359624278 
   H   -0.956581390   -3.697931229    0.519392456 
