 46 
 
   C    0.036864866   -0.378547290   -1.963489925 
   C    1.046241111   -0.283240172   -2.967322314 
   C    0.721984273   -0.572695734   -4.300294466 
   C   -0.573670861   -0.908769238   -4.669671361 
   C   -1.596403552   -0.960102339   -3.723567215 
   C   -1.321657101   -0.687829480   -2.357241165 
   C   -2.895523241   -1.282520465   -4.152627143 
   C   -3.957858685   -1.335877087   -3.257274536 
   C   -3.731072415   -1.061114703   -1.919975909 
   C   -2.441065281   -0.741646853   -1.481348971 
   C    2.492062953    0.062827425   -2.707042117 
   C    0.345376662   -0.130998227   -0.478392659 
   N    1.544236138   -0.830524494   -0.030434365 
   C    0.456521477    1.342058560   -0.165828553 
   C   -0.467701263    2.060887198    0.489718418 
   C    2.052547661   -0.996814249    1.227582923 
   C    1.444022521   -0.302495775    2.372610666 
   O    3.032601068   -1.704832662    1.430031179 
   C    0.184104004   -0.683673411    2.840110996 
   C   -0.360234618   -0.012903910    3.941987781 
   C    0.347856515    1.008152909    4.591294363 
   C    1.623133022    1.352561172    4.119307989 
   C    2.181295525    0.697406091    3.014699415 
   N   -1.701055171   -0.376403744    4.409957087 
   O   -2.033715609   -0.002665327    5.541472254 
   O   -2.418089125   -1.022578862    3.633927397 
   N    2.379552967    2.421192762    4.784646542 
   O    3.448113825    2.775139434    4.269814161 
   O    1.894944015    2.908190540    5.814472087 
   H    1.487613463   -0.533965496   -5.073901751 
   H   -0.776326605   -1.120490726   -5.717732412 
   H   -3.092416516   -1.493823220   -5.202154403 
   H   -4.956121698   -1.585081946   -3.606099301 
   H   -4.554246410   -1.090959678   -1.210302515 
   H   -2.347795371   -0.523170614   -0.422472621 
   H    2.614092436    0.789418474   -1.903788128 
   H    3.060554403   -0.842182033   -2.472287259 
   H    2.945812852    0.523234065   -3.592704099 
   H   -0.439347973   -0.572967338    0.135769882 
   H    1.952266934   -1.484746854   -0.685993105 
   H    1.352642303    1.857219621   -0.501373063 
   H   -0.318757953    3.122921600    0.664434253 
   H   -1.397972879    1.623843854    0.838383594 
   H   -0.351517701   -1.495550238    2.351563653 
   H   -0.086336163    1.524711322    5.446893884 
   H    3.174464445    0.949422663    2.644639004 
