 40 
 
   C   -2.145489300   -0.137717000   -0.730627300 
   C   -3.126714900   -0.536249900    0.171126400 
   C   -3.595412800   -1.844801900    0.177930800 
   C   -3.092000800   -2.794636300   -0.709335700 
   C   -2.107120100   -2.389647100   -1.612554800 
   C   -1.641246700   -1.083154900   -1.623589400 
   C   -3.569621200   -4.221654200   -0.671303400 
   C   -1.612409800    1.281401700   -0.710446900 
   N   -0.177745000    1.306160500   -0.383357000 
   C   -1.834566000    2.090573200   -1.965728100 
   C   -2.569205900    1.739579100   -3.012681600 
   C    0.247384600    1.253378000    0.906892400 
   O   -0.506475300    1.311329600    1.862880600 
   C    1.736473600    1.131476000    1.119591500 
   C    2.682840400    1.524351500    0.178302800 
   C    4.032276600    1.402879800    0.479037900 
   C    4.480119000    0.900231100    1.687616600 
   C    3.515134100    0.518260700    2.606114300 
   C    2.159851200    0.631590200    2.350502100 
   N    3.958167900   -0.026125500    3.914076300 
   O    5.159203900   -0.096476300    4.112338300 
   O    3.092549000   -0.366254900    4.700858600 
   N    5.029156500    1.836080500   -0.528545000 
   O    6.206903100    1.734345800   -0.235194000 
   O    4.602709400    2.264973900   -1.589083500 
   H   -3.517137600    0.178099200    0.885017000 
   H   -4.358500800   -2.133361400    0.890525400 
   H   -1.703020800   -3.106591000   -2.317116000 
   H   -0.885051700   -0.794658500   -2.343637500 
   H   -4.609084000   -4.284780900   -0.348416500 
   H   -3.486677800   -4.697790500   -1.648674200 
   H   -2.973479200   -4.810459800    0.030827400 
   H   -2.094823600    1.808683500    0.114617700 
   H    0.457506700    1.043169200   -1.118384000 
   H   -1.351457100    3.062992800   -1.949456200 
   H   -2.696002500    2.410914400   -3.851473100 
   H   -3.072790900    0.783573600   -3.064847400 
   H    2.403700400    1.950413600   -0.773253900 
   H    5.531699100    0.813882900    1.906928000 
   H    1.430358500    0.346019200    3.092521000 
