 46 
 
   C    0.117246377   -1.229943248   -0.261576081 
   C   -1.266836477   -1.085167523    0.044673301 
   C   -1.684141976   -0.969437204    1.382579831 
   C   -0.769830442   -1.021317509    2.432988934 
   C    0.574040672   -1.254338623    2.142034779 
   C    1.031529917   -1.379815748    0.816237254 
   C   -1.232110222   -0.909575617    3.855844081 
   O    2.751071990    1.619552284   -2.369829481 
   C   -2.336012663   -1.044339095   -1.019739851 
   C    0.570617508   -1.219439620   -1.726716658 
   N    1.724005909   -0.368199179   -2.001758468 
   C    0.773930791   -2.623686734   -2.257967730 
   C    1.889485601   -3.230390338   -2.693016185 
   C    1.828437356    0.991899806   -1.863942468 
   C    0.829802961    1.724520289   -1.073361713 
   C    2.507235385   -1.624374408    0.625986833 
   C    1.085707582    1.968306007    0.278943555 
   C    0.107926795    2.603685746    1.051548632 
   C   -1.092215393    3.041235531    0.473603505 
   C   -1.301584411    2.824778802   -0.896285966 
   C   -0.344436140    2.169824678   -1.681522860 
   N    0.329616494    2.781768514    2.491414047 
   O   -0.625649885    3.180323307    3.171723140 
   O    1.455356799    2.523835215    2.938262303 
   N   -2.558406857    3.260550991   -1.512622206 
   O   -2.846504930    2.783981740   -2.618793756 
   O   -3.255722875    4.066550893   -0.883656122 
   H   -2.741957987   -0.842852250    1.611003397 
   H    1.283753347   -1.337850385    2.965290881 
   H   -2.117396836   -0.269125188    3.929264341 
   H   -1.477886178   -1.900676617    4.249150348 
   H   -0.455450157   -0.460465709    4.483889675 
   H   -3.339562921   -1.100178450   -0.583854701 
   H   -2.277584239   -0.114903797   -1.591273338 
   H   -2.238867832   -1.899852612   -1.695038016 
   H   -0.216129217   -0.774583436   -2.345340850 
   H    2.400561689   -0.714754048   -2.667021821 
   H   -0.142426218   -3.214229907   -2.290379615 
   H    1.849301035   -4.257682975   -3.046219743 
   H    2.865563578   -2.758862501   -2.692006481 
   H    3.021113092   -0.700732628    0.347505700 
   H    2.968344796   -1.990250032    1.550640953 
   H    2.690303340   -2.394862528   -0.124580205 
   H    2.020607557    1.624953266    0.718136312 
   H   -1.852281320    3.533147445    1.079458694 
   H   -0.502565396    1.992973398   -2.743676180 
