 40 
 
   C   -2.266849530    0.436604521   -0.599010236 
   C   -3.053004423    0.628853653    0.549626256 
   C   -3.924089105   -0.368024217    0.998964517 
   C   -4.031672447   -1.579618509    0.309698821 
   C   -3.234615651   -1.788755179   -0.819564100 
   C   -2.365476325   -0.791327200   -1.269890015 
   C   -4.938865883   -2.663801644    0.810340857 
   C   -1.312787767    1.529622394   -1.054658142 
   N    0.013653564    1.365764932   -0.475222181 
   C   -1.301153881    1.807322724   -2.538666370 
   C   -0.265033601    2.177406924   -3.306732163 
   C    0.873669818    0.335631278   -0.788820152 
   O    0.718837522   -0.480169331   -1.687220751 
   C    2.085233767    0.217592450    0.067315174 
   C    2.631185470   -1.057863110    0.271716334 
   C    3.782783173   -1.204361394    1.056442683 
   C    4.402463445   -0.089255302    1.636366662 
   C    3.853220678    1.180184559    1.412966300 
   C    2.701100001    1.343088384    0.628530167 
   N    4.490803642    2.362207533    2.007757006 
   O    5.593737460    2.209177959    2.547051363 
   O    3.878177156    3.436132649    1.937194291 
   N    4.345935326   -2.543380998    1.276648781 
   O    5.430647903   -2.615207215    1.869310318 
   O    3.700161468   -3.514985825    0.864279873 
   H   -2.995940274    1.561051749    1.107170388 
   H   -4.519324828   -0.191975904    1.892259081 
   H   -3.278616479   -2.732778866   -1.358436176 
   H   -1.750577040   -0.987688059   -2.147443616 
   H   -5.812254783   -2.239471899    1.316665489 
   H   -5.310124979   -3.276082861   -0.018225596 
   H   -4.400599012   -3.307473911    1.512827846 
   H   -1.686223985    2.466282142   -0.615608641 
   H    0.125287989    1.812015832    0.421734992 
   H   -2.268688369    1.704120289   -3.029048167 
   H   -0.398328682    2.343243849   -4.371259745 
   H    0.733903751    2.308111576   -2.906285910 
   H    2.149919462   -1.922971336   -0.186576401 
   H    5.297044078   -0.207116596    2.247368210 
   H    2.306461371    2.337893959    0.430432954 
