 43 
 
   C   -0.342143853   -0.026503153   -2.248141217 
   C    0.102291940    1.212719663   -2.754372573 
   C    1.275109012    1.314882716   -3.492598974 
   C    2.039300377    0.180145519   -3.732852105 
   C    1.650867917   -1.068356460   -3.230140774 
   C    0.455162815   -1.194910204   -2.472708577 
   C    2.458797856   -2.190634122   -3.477538722 
   C    2.115536433   -3.447413649   -2.986907327 
   C    0.957471011   -3.597100955   -2.239754448 
   C    0.142076545   -2.489886527   -1.986229146 
   C   -1.630318081   -0.070667552   -1.426523115 
   N   -1.355849653    0.021453559    0.002033307 
   C   -2.748027135    0.840149829   -1.887352178 
   C   -3.604818896    1.557394540   -1.144591951 
   C   -0.823042061    1.138863178    0.609250909 
   C   -0.377411991    0.962548119    2.018203803 
   O   -0.677047589    2.235907597    0.087750636 
   C    0.691332543    1.745262453    2.478511136 
   C    1.127860736    1.617099934    3.803881987 
   C    0.504630351    0.718821996    4.680561282 
   C   -0.570007709   -0.047291227    4.210308610 
   C   -1.019589627    0.071072550    2.886342450 
   N    2.254373348    2.431778319    4.279753759 
   O    2.545356935    2.356084839    5.480878871 
   O    2.845797568    3.136918717    3.452679102 
   N   -1.239557025   -0.991169072    5.114647251 
   O   -0.946536639   -0.941513095    6.315629754 
   O   -2.050711317   -1.781780405    4.613957047 
   H    1.596514697    2.281950722   -3.870235549 
   H    2.955303281    0.282965221   -4.310960300 
   H    3.373109193   -2.091759055   -4.059742818 
   H    2.752701176   -4.304115859   -3.189259192 
   H    0.682344227   -4.575558630   -1.854157265 
   H   -0.751194537   -2.670737607   -1.396526228 
   H   -2.072218232   -1.064442546   -1.565945091 
   H   -1.191251043   -0.869072379    0.444631819 
   H   -2.871287446    0.890373380   -2.969062900 
   H   -4.365165234    2.171515220   -1.617134380 
   H   -3.565253723    1.566877363   -0.061286847 
   H    1.170796696    2.446967002    1.794532887 
   H    0.847641318    0.620048890    5.710151543 
   H   -1.879665490   -0.501476315    2.544296575 
   H   -0.463278694    2.122587486   -2.553981050 
