 46 
 
   C   -1.683098135   -0.785721350    0.796065427 
   C   -3.034456434   -0.339350405    0.726302310 
   C   -3.693546298    0.114805545    1.883544883 
   C   -3.050962745    0.146895857    3.118815015 
   C   -1.739076645   -0.316450871    3.202184498 
   C   -1.045828379   -0.791814636    2.069985486 
   C   -3.777541168    0.609536851    4.346342567 
   O    0.121975835   -0.517747122   -3.020692247 
   C   -3.817149169   -0.322051796   -0.564327057 
   C   -0.979647012   -1.241694711   -0.490630551 
   N    0.224176268   -0.458686041   -0.725055494 
   C   -0.633689255   -2.712019648   -0.586898131 
   C   -1.064702796   -3.716300603    0.191885698 
   C    0.666488534   -0.147731028   -1.988421028 
   C    1.906159619    0.671341435   -2.074608144 
   C    0.373647289   -1.238852248    2.317023746 
   C    2.716501954    0.526873676   -3.210230036 
   C    3.883589374    1.292789986   -3.336029139 
   C    4.250904068    2.209605327   -2.342481015 
   C    3.425509279    2.353176001   -1.219762949 
   C    2.252442924    1.595224782   -1.080311359 
   N    4.734712078    1.128911485   -4.522224283 
   O    5.676323199    1.920380723   -4.662332634 
   O    4.463564768    0.207073999   -5.301939069 
   N    3.791681635    3.310873816   -0.168351999 
   O    3.167708470    3.250563523    0.899443537 
   O    4.704180609    4.109792157   -0.413028782 
   H   -4.726818394    0.452924776    1.817487228 
   H   -1.240733548   -0.311293172    4.171382226 
   H   -4.522327561    1.372315573    4.095847344 
   H   -4.283348424   -0.235878280    4.822781960 
   H   -3.084033125    1.058257473    5.065351505 
   H   -4.855376775   -0.011120010   -0.404277484 
   H   -3.371138828    0.386225452   -1.269735456 
   H   -3.849620007   -1.323516655   -1.005245003 
   H   -1.622290476   -1.047499952   -1.353611997 
   H    0.784130838   -0.234300042    0.079231736 
   H    0.009222534   -2.975959771   -1.426248870 
   H   -0.757305452   -4.738904533   -0.005186373 
   H   -1.737982475   -3.554386696    1.028210321 
   H    0.730831934   -1.966683957    1.588277956 
   H    1.041901449   -0.371712133    2.306389428 
   H    0.457515669   -1.726189387    3.295336597 
   H    2.425861633   -0.182356529   -3.986412062 
   H    5.160307437    2.801684005   -2.442077703 
   H    1.601337227    1.748966085   -0.221766866 
