 40 
 
   C   -2.098760300   -0.346790100   -0.979332300 
   C   -2.490001700   -1.003964400   -2.151749900 
   C   -3.063854200   -2.278997400   -2.097777100 
   C   -3.270752700   -2.933380500   -0.875475900 
   C   -2.878961000   -2.266033400    0.298269300 
   C   -2.305473200   -0.996090000    0.250299400 
   C   -3.927811000   -4.291128200   -0.818673200 
   C   -1.448180800    1.037924400   -0.972825300 
   N   -0.065480100    0.956131600   -0.474807300 
   C   -1.446910000    1.747525500   -2.305334900 
   C   -2.158268800    2.842830600   -2.578523400 
   C    0.270422700    1.249621800    0.810718200 
   O   -0.536737600    1.590529000    1.663319800 
   C    1.738616900    1.127267300    1.155996600 
   C    2.765068900    1.237340500    0.210386900 
   C    4.093395400    1.142681200    0.628481100 
   C    4.443731400    0.945463100    1.960423600 
   C    3.401522500    0.851270000    2.881008600 
   C    2.063653100    0.948057400    2.508496300 
   N    3.738630600    0.645028200    4.313898500 
   O    4.920792300    0.605029700    4.606941100 
   O    2.810168900    0.529232400    5.093417800 
   N    5.172962500    1.263392800   -0.383416200 
   O    6.320759100    1.156226200    0.008528000 
   O    4.834304400    1.458599600   -1.538982400 
   H   -2.361291500   -0.521005800   -3.122827400 
   H   -3.359501200   -2.771838100   -3.028949600 
   H   -3.031947000   -2.749403400    1.267937000 
   H   -2.015724000   -0.490003700    1.175542700 
   H   -3.691473000   -4.893685500   -1.709638300 
   H   -3.614022000   -4.857349400    0.072098400 
   H   -5.027137500   -4.194025200   -0.773320000 
   H   -1.978825300    1.656861500   -0.234600300 
   H    0.606818900    0.481881400   -1.067142600 
   H   -0.803038700    1.313252900   -3.081976200 
   H   -2.119456300    3.319801800   -3.562068000 
   H   -2.810984000    3.301412300   -1.828018100 
   H    2.567463700    1.420282100   -0.845991900 
   H    5.484681500    0.873710200    2.270475700 
   H    1.271599100    0.892341700    3.255191300 
