 43 
 
   C    0.134420156    0.686477047   -1.979461737 
   C    0.844931009    1.904258564   -1.862493946 
   C    2.136563921    2.040302313   -2.355635968 
   C    2.756431561    0.957359772   -2.965249655 
   C    2.104181479   -0.277652033   -3.076958244 
   C    0.784088052   -0.440601000   -2.574684164 
   C    2.774175074   -1.353639587   -3.683079918 
   C    2.173357476   -2.604079755   -3.796173453 
   C    0.894018692   -2.794211826   -3.298237293 
   C    0.212332095   -1.731664884   -2.696884922 
   C   -1.283779987    0.613184197   -1.409161414 
   N   -1.206484521    0.644410832    0.043187939 
   C   -2.236077419    1.723216384   -1.809973808 
   C   -2.195501850    2.478782726   -2.918247061 
   C   -1.286841506   -0.514175967    0.781665763 
   C   -0.965502695   -0.401124020    2.229981661 
   O   -1.584360658   -1.608666818    0.320482956 
   C   -0.454945720   -1.531698945    2.884437383 
   C   -0.151888500   -1.468371842    4.251341871 
   C   -0.358817191   -0.288083251    4.977708318 
   C   -0.881377970    0.829731145    4.314210527 
   C   -1.190819728    0.780970016    2.946088330 
   N    0.391500109   -2.652797276    4.930780537 
   O    0.582231119   -2.572630730    6.151512372 
   O    0.629081341   -3.653510449    4.242890659 
   N   -1.111832759    2.074585761    5.059449655 
   O   -0.981327608    2.039885217    6.289285347 
   O   -1.417235326    3.081552469    4.406470383 
   H    2.658613778    2.989562975   -2.269861047 
   H    3.766936102    1.083214167   -3.349035854 
   H    3.782774878   -1.226152479   -4.071213943 
   H    2.706761273   -3.426983693   -4.263752215 
   H    0.419308045   -3.769697483   -3.368176122 
   H   -0.778724093   -1.952220555   -2.309063432 
   H   -1.787888760   -0.307056096   -1.711263896 
   H   -0.750860809    1.453985741    0.435830225 
   H   -3.074429185    1.882656037   -1.132691109 
   H   -2.957990281    3.229091334   -3.105636033 
   H   -1.424083849    2.358826888   -3.673499596 
   H   -0.298229274   -2.450454396    2.317485850 
   H   -0.120840834   -0.241481925    6.040103973 
   H   -1.630354638    1.645383997    2.452438304 
   H    0.378497391    2.769517758   -1.394914973 
