 46 
 
   C    0.385046944    1.122361725    0.640079033 
   C    1.704257339    1.484016842    0.244515694 
   C    1.964804684    1.770147235   -1.101658618 
   C    0.951127235    1.736663497   -2.051600393 
   C   -0.363831817    1.447845127   -1.685239131 
   C   -0.681679446    1.168089507   -0.331232371 
   C   -1.359265061    1.432950320   -2.676513873 
   C   -2.687078666    1.165383661   -2.359389375 
   C   -3.037198243    0.928308151   -1.040855226 
   C   -2.054406019    0.938354862   -0.046194515 
   C    2.885465576    1.516145878    1.181457275 
   C    0.086402046    0.619424012    2.060030057 
   N    1.039431876   -0.382374004    2.529674783 
   C   -0.046015791    1.675168532    3.132210347 
   C    0.011530801    3.008233357    2.993323195 
   C    1.321412160   -1.609154831    1.984240846 
   C    0.607994887   -2.036319500    0.767459956 
   O    2.189262848   -2.336843185    2.450574278 
   C    1.309210023   -2.039624802   -0.442901854 
   C    0.622499610   -2.331210179   -1.627195748 
   C   -0.742387704   -2.651679427   -1.605737695 
   C   -1.412698914   -2.673418090   -0.374410948 
   C   -0.744270249   -2.378899319    0.820825103 
   N    1.332172576   -2.258919576   -2.910570137 
   O    0.678939549   -2.478788784   -3.939583317 
   O    2.539048110   -1.982434890   -2.887991417 
   N   -2.849246224   -2.962567710   -0.339165628 
   O   -3.468744488   -2.651246164    0.687626209 
   O   -3.352304876   -3.494216211   -1.337212923 
   H    2.975488028    2.013553259   -1.426972628 
   H    1.203992354    1.955070752   -3.087858685 
   H   -1.105844509    1.637822371   -3.715645825 
   H   -3.445420117    1.162402790   -3.138171227 
   H   -4.076366075    0.744229228   -0.776934454 
   H   -2.404380363    0.779226469    0.970559216 
   H    2.612232279    1.872164003    2.176907620 
   H    3.337913574    0.522930112    1.255975052 
   H    3.652171526    2.208854981    0.815429270 
   H   -0.860569954    0.076413716    2.066382181 
   H    1.637939093   -0.139614097    3.308875091 
   H   -0.244120529    1.291062187    4.132723414 
   H   -0.117377772    3.660623818    3.852269677 
   H    0.181110432    3.488409133    2.034002059 
   H    2.364607881   -1.770514806   -0.449216711 
   H   -1.278535390   -2.860827766   -2.530625285 
   H   -1.262319225   -2.387202184    1.777737630 
