 46 
 
   C   -0.061251409   -0.221397882    1.697528446 
   C    0.585920286   -0.475333735    2.939366531 
   C    0.019412994    0.006334700    4.136750279 
   C   -1.157209646    0.753400604    4.142747614 
   C   -1.767882140    1.047784328    2.926181202 
   C   -1.241756697    0.576718344    1.709038344 
   C   -1.716113891    1.287550021    5.427830585 
   O    2.730898614    1.613796125   -1.268853428 
   C    1.849790083   -1.286710723    3.079616703 
   C    0.489335592   -0.731738475    0.358869454 
   N    1.643647603    0.054703249   -0.047402836 
   C    0.796741630   -2.212038010    0.333102645 
   C    1.941636482   -2.820873274   -0.014681387 
   C    1.835152183    0.779891391   -1.189746243 
   C    0.957727216    0.582684332   -2.359094710 
   C   -1.981249766    0.956071286    0.450220620 
   C    0.312294489    1.700534565   -2.898564573 
   C   -0.494417822    1.544311473   -4.032220762 
   C   -0.649078793    0.290212106   -4.639669747 
   C    0.026305946   -0.812504384   -4.097274771 
   C    0.836398059   -0.672949457   -2.962081675 
   N   -1.191676708    2.709749515   -4.587876525 
   O   -1.681316976    2.596200222   -5.718947170 
   O   -1.257360644    3.726202600   -3.884744098 
   N   -0.115334488   -2.133054877   -4.726008121 
   O    0.469566441   -3.086472923   -4.195665033 
   O   -0.818398987   -2.210875150   -5.741578649 
   H    0.510381829   -0.205627957    5.086205287 
   H   -2.671027524    1.656797356    2.924913302 
   H   -1.494375057    0.612452534    6.261108808 
   H   -1.285037198    2.269947269    5.643776804 
   H   -2.805487391    1.383773172    5.370436070 
   H    2.335910526   -1.096528874    4.043620087 
   H    1.620274740   -2.355242196    3.033284588 
   H    2.588761538   -1.026463915    2.319331761 
   H   -0.282685386   -0.612336151   -0.403810564 
   H    2.282245870    0.320986208    0.690359867 
   H   -0.036945206   -2.848225905    0.631242538 
   H    2.020853390   -3.904150563    0.009066206 
   H    2.824004221   -2.268064502   -0.321943182 
   H   -2.388832277    0.064582342   -0.036577325 
   H   -2.823438392    1.624673002    0.659662680 
   H   -1.316263627    1.488766412   -0.235528338 
   H    0.452376363    2.675624024   -2.431775327 
   H   -1.278755788    0.177118621   -5.521916168 
   H    1.386259713   -1.520276850   -2.558299790 
