 46 
 
   C   -1.677504016   -1.040380223    0.498078860 
   C   -0.876290467   -1.543489766    1.560689675 
   C   -1.413746214   -1.637089514    2.860473750 
   C   -2.734958850   -1.286180001    3.134466926 
   C   -3.527887513   -0.804173229    2.095567167 
   C   -3.027129124   -0.687844189    0.786059520 
   C   -3.272542035   -1.364703559    4.532032379 
   O   -0.605332909    1.861185341   -0.928178352 
   C    0.567475270   -1.944462955    1.404510737 
   C   -1.163259046   -0.903985737   -0.940900594 
   N    0.155396646   -0.305347233   -1.036907042 
   C   -1.114982136   -2.231215675   -1.662502929 
   C   -1.388506542   -2.394683729   -2.965617693 
   C    0.317367055    1.060964918   -1.019464156 
   C    1.707876448    1.575288514   -1.164553526 
   C   -3.965355109   -0.154890812   -0.268944063 
   C    1.882424006    2.869320302   -1.678173961 
   C    3.172706190    3.399696727   -1.813931960 
   C    4.298031768    2.656191905   -1.436181921 
   C    4.110698079    1.370214484   -0.914026732 
   C    2.824098156    0.825934955   -0.772868648 
   N    3.347513118    4.751246080   -2.361791072 
   O    4.478115376    5.251390384   -2.295249647 
   O    2.358697718    5.301551437   -2.862378640 
   N    5.276524237    0.574782733   -0.504403936 
   O    5.072506071   -0.592697044   -0.144735952 
   O    6.387197492    1.117910474   -0.550442858 
   H   -0.785929533   -1.992480797    3.676725321 
   H   -4.554607424   -0.509365792    2.307183959 
   H   -2.796405726   -2.178588341    5.088957876 
   H   -3.089337846   -0.422158965    5.057020045 
   H   -4.349491627   -1.563293642    4.526378440 
   H    0.886475906   -2.599733843    2.223257211 
   H    0.739749792   -2.509679472    0.486216634 
   H    1.206066072   -1.056882824    1.422321284 
   H   -1.822042426   -0.234889565   -1.503739402 
   H    0.916240015   -0.915674902   -1.289640589 
   H   -0.889271665   -3.115341634   -1.070750431 
   H   -1.365160757   -3.380721518   -3.419802695 
   H   -1.647446883   -1.553927632   -3.602787641 
   H   -4.021375811   -0.843651808   -1.117784351 
   H   -4.985076743   -0.044329411    0.115970403 
   H   -3.633873352    0.831738709   -0.607567808 
   H    1.006141496    3.452475203   -1.964994174 
   H    5.299364443    3.072221310   -1.543938670 
   H    2.696848398   -0.160249666   -0.333650744 
