 46 
 
   C   -1.567733674    0.772544692   -1.341002635 
   C   -2.161257083    0.241273351   -2.520937092 
   C   -1.897207597    0.836145050   -3.759781390 
   C   -1.062020025    1.942671075   -3.856142464 
   C   -0.472532493    2.499230775   -2.719426299 
   C   -0.717961022    1.936945229   -1.439781817 
   C    0.361707397    3.620894523   -2.866144781 
   C    0.964717401    4.220292113   -1.764907696 
   C    0.733373696    3.707003702   -0.499969068 
   C   -0.092867566    2.590006694   -0.342908108 
   C   -3.070546849   -0.961971857   -2.507162441 
   C   -1.815656959    0.061534297   -0.001202891 
   N   -0.555918553   -0.435061353    0.536788471 
   C   -2.538849450    0.851081429    1.068909677 
   C   -3.234680469    1.989872319    0.928676105 
   C   -0.479034217   -1.558716630    1.322881607 
   C    0.882331832   -1.977091975    1.753338422 
   O   -1.449130127   -2.205668719    1.696365605 
   C    1.007984350   -2.653899964    2.975192230 
   C    2.270380580   -3.080688915    3.408586656 
   C    3.412652857   -2.847285411    2.631965299 
   C    3.271385774   -2.182485801    1.406587353 
   C    2.013419214   -1.748605070    0.958952808 
   N    2.397784446   -3.779079269    4.694549862 
   O    3.495739039   -4.284061784    4.963087680 
   O    1.404276796   -3.812627360    5.431554736 
   N    4.457299111   -1.936991330    0.574029458 
   O    4.308900354   -1.244179221   -0.441072020 
   O    5.529484662   -2.432441461    0.942999230 
   H   -2.340305779    0.437077650   -4.670409494 
   H   -0.880108774    2.371191901   -4.839872171 
   H    0.547558534    4.043102101   -3.852122051 
   H    1.603585453    5.089140638   -1.897320108 
   H    1.184850864    4.176623385    0.370137534 
   H   -0.257471855    2.251487787    0.676666229 
   H   -2.521981564   -1.849902885   -2.177190225 
   H   -3.929461464   -0.784468146   -1.852058749 
   H   -3.469669602   -1.178630183   -3.504209868 
   H   -2.434757386   -0.826808229   -0.153928195 
   H    0.271266026    0.096796299    0.314829443 
   H   -2.522380028    0.399997131    2.060872341 
   H   -3.731653901    2.441937586    1.781823997 
   H   -3.339285854    2.493788302   -0.027489396 
   H    0.116697702   -2.842215002    3.575209094 
   H    4.392453893   -3.180350826    2.973416646 
   H    1.914630193   -1.267385633   -0.012365293 
