 46 
 
   C   -1.259843921   -0.939564082   -0.355972306 
   C   -1.107012172   -1.631479465   -1.597533157 
   C   -0.973476229   -0.912312592   -2.790132006 
   C   -0.961913481    0.475105439   -2.785690561 
   C   -1.078496882    1.189334096   -1.593325618 
   C   -1.230261892    0.506596380   -0.354940759 
   C   -1.025400403    2.592596347   -1.649589361 
   C   -1.111390560    3.364592327   -0.497065369 
   C   -1.252174788    2.737124364    0.727214493 
   C   -1.308968944    1.340278312    0.792810532 
   C   -1.092458772   -3.138310126   -1.701626902 
   C   -1.419615422   -1.784350381    0.915711192 
   N   -0.187288214   -2.288446511    1.533067727 
   C   -2.413465685   -1.299681336    1.949161726 
   C   -2.272824746   -1.219345583    3.282228936 
   C    0.891856298   -1.577034257    1.991067575 
   C    1.544073365   -0.570128224    1.138527527 
   O    1.386000365   -1.828678134    3.085868999 
   C    1.825918221    0.689810803    1.674399632 
   C    2.405448148    1.664598834    0.852670105 
   C    2.742989602    1.380560525   -0.478258707 
   C    2.499415568    0.093519524   -0.976247229 
   C    1.921676367   -0.892957356   -0.168307159 
   N    2.630125506    3.013234257    1.383817523 
   O    3.335970808    3.781033088    0.716121565 
   O    2.098847840    3.301931268    2.464815009 
   N    2.822439800   -0.219689363   -2.372821689 
   O    2.766959345   -1.406242517   -2.724738842 
   O    3.134574504    0.722026839   -3.114211340 
   H   -0.867666219   -1.431404412   -3.741751387 
   H   -0.848812661    0.994475328   -3.736177295 
   H   -0.912390087    3.102787371   -2.605175823 
   H   -1.067427919    4.448872796   -0.557860004 
   H   -1.311818724    3.326537584    1.639681979 
   H   -1.385771147    0.921728280    1.790071731 
   H   -0.371275309   -3.570731593   -1.001730484 
   H   -2.091213741   -3.541058788   -1.506786823 
   H   -0.792727758   -3.469336323   -2.702199166 
   H   -1.913181569   -2.710651707    0.593670470 
   H   -0.392969436   -3.017863523    2.204615862 
   H   -3.377336410   -1.000949228    1.534167222 
   H   -3.090392638   -0.857789124    3.900275422 
   H   -1.359510888   -1.496973205    3.799660894 
   H    1.558360886    0.904003135    2.708134155 
   H    3.178204486    2.148869692   -1.115743051 
   H    1.734225509   -1.894638759   -0.549875242 
