 46 
 
   C   -1.205032332    1.455355257   -1.262190650 
   C   -2.142970165    1.394035144   -2.331919969 
   C   -1.801704495    1.911989975   -3.586163981 
   C   -0.561289647    2.500037466   -3.801047836 
   C    0.373745760    2.603058364   -2.769373617 
   C    0.072087781    2.097764489   -1.477589381 
   C    1.610952245    3.215386653   -3.034543668 
   C    2.575342233    3.353657994   -2.041522478 
   C    2.308709393    2.886857711   -0.765891641 
   C    1.080964375    2.276491903   -0.491178520 
   C   -3.511083611    0.775517684   -2.185007168 
   C   -1.584618512    0.825001842    0.087994289 
   N   -0.578356164   -0.125002386    0.537122549 
   C   -1.821761856    1.852994270    1.170191298 
   C   -2.829890948    1.803902950    2.054137441 
   C   -0.892718560   -1.195610427    1.342034444 
   C    0.227236669   -2.123509267    1.658880802 
   O   -2.011519783   -1.440567887    1.773770571 
   C    1.552205599   -1.674018263    1.732830037 
   C    2.573778065   -2.580112499    2.055887721 
   C    2.287984482   -3.927542372    2.312325394 
   C    0.956269311   -4.359345444    2.247751088 
   C   -0.074701711   -3.465756490    1.927210331 
   N    3.962181687   -2.103632814    2.129603403 
   O    4.831028667   -2.917669536    2.466450262 
   O    4.175054807   -0.917293894    1.844986058 
   N    0.636885941   -5.767295918    2.518317885 
   O   -0.512993874   -6.153486029    2.273371093 
   O    1.542647544   -6.481215790    2.968444010 
   H   -2.505563771    1.862295597   -4.415024850 
   H   -0.336585982    2.888670389   -4.792518189 
   H    1.834057111    3.597130381   -4.029311734 
   H    3.525350314    3.831763461   -2.264270903 
   H    3.049178749    3.000211229    0.022266819 
   H    0.926823463    1.952987893    0.534638854 
   H   -3.424777169   -0.303364836   -2.021825424 
   H   -4.055148847    1.239277418   -1.355969455 
   H   -4.119368644    0.922858007   -3.084270730 
   H   -2.499779631    0.236850230   -0.024989901 
   H    0.264491208   -0.171900712   -0.016907664 
   H   -1.159517115    2.712802654    1.212147620 
   H   -2.960362804    2.583707288    2.797395642 
   H   -3.532472625    0.974712540    2.066429607 
   H    1.782220833   -0.622769794    1.569952526 
   H    3.085590947   -4.626781203    2.562086651 
   H   -1.112568938   -3.798443225    1.885291368 
