 40 
 
   C   -2.213491146    0.314008379   -0.560496191 
   C   -3.078754415    0.546054195    0.522853951 
   C   -3.940301004   -0.453643959    0.984722785 
   C   -3.961133843   -1.709879731    0.372737007 
   C   -3.088136705   -1.957972152   -0.690140986 
   C   -2.227918248   -0.957460115   -1.152572665 
   C   -4.860120894   -2.794340553    0.887099091 
   C   -1.273682214    1.415336765   -1.019604020 
   N    0.061047627    1.273144956   -0.453387631 
   C   -1.204455538    1.650515289   -2.504504303 
   C   -1.563828973    2.785472265   -3.122992668 
   C    0.979281210    0.320999185   -0.835358158 
   O    0.860326768   -0.449420142   -1.778691293 
   C    2.207153032    0.229053307    0.000782526 
   C    2.835577959   -1.018660566    0.122416544 
   C    4.004268837   -1.137871960    0.886503267 
   C    4.559387363   -0.022202242    1.527449888 
   C    3.927876662    1.220466857    1.386297498 
   C    2.757856263    1.356006057    0.623547866 
   N    4.496556370    2.402930375    2.046155472 
   O    5.621055035    2.293424986    2.550395604 
   O    3.808754028    3.432625336    2.061720972 
   N    4.653710104   -2.449073131    1.020054866 
   O    5.741766916   -2.489170221    1.609487831 
   O    4.071659320   -3.431368960    0.543046710 
   H   -3.092987530    1.513710718    1.019736749 
   H   -4.597246812   -0.243370324    1.825826284 
   H   -3.067427878   -2.934444902   -1.169400361 
   H   -1.559653348   -1.189312125   -1.979759842 
   H   -5.777951679   -2.372912457    1.310439081 
   H   -5.156833946   -3.471683875    0.079379959 
   H   -4.345445965   -3.371064015    1.661715641 
   H   -1.643584232    2.349836276   -0.573566937 
   H    0.155729287    1.671087451    0.468268801 
   H   -0.832913094    0.832065488   -3.117878120 
   H   -1.482591730    2.872815791   -4.202466215 
   H   -1.944596871    3.643030953   -2.578154587 
   H    2.404614031   -1.883929604   -0.382982796 
   H    5.467354549   -0.118670983    2.122239362 
   H    2.299080705    2.333867392    0.489079020 
