 46 
 
   C   -1.004853275    1.496596852   -1.052255711 
   C   -0.308496583    2.739178879   -1.083422886 
   C    0.076688796    3.284233136   -2.316428107 
   C   -0.163093577    2.610858959   -3.507225610 
   C   -0.778182089    1.359603463   -3.508853812 
   C   -1.197211176    0.768863143   -2.287830411 
   C   -0.965207830    0.698854628   -4.735489938 
   C   -1.549966499   -0.561584716   -4.792941755 
   C   -1.948709716   -1.177951837   -3.619392830 
   C   -1.772932604   -0.526722060   -2.393520997 
   C    0.029334697    3.554990708    0.137959823 
   C   -1.508833925    0.871944773    0.257232763 
   N   -0.415244293    0.188140165    0.923254985 
   C   -2.142548441    1.812648457    1.254373233 
   C   -3.421634421    2.214780808    1.203435673 
   C   -0.494113005   -1.137612050    1.277301010 
   C    0.738084778   -1.741185282    1.852989816 
   O   -1.485418410   -1.839228345    1.123062207 
   C    1.655885303   -0.981621778    2.589191525 
   C    2.796002151   -1.601869634    3.123315989 
   C    3.026691595   -2.971436345    2.939417539 
   C    2.092286231   -3.721342334    2.212787288 
   C    0.949560997   -3.115673122    1.672751953 
   N    3.759563814   -0.798706912    3.888253960 
   O    4.679851151   -1.396638103    4.459460008 
   O    3.591003324    0.428087171    3.907553117 
   N    2.314524953   -5.159843002    2.012478210 
   O    1.541427407   -5.762072338    1.256881328 
   O    3.267324730   -5.678281738    2.609308654 
   H    0.576981684    4.250377620   -2.360416084 
   H    0.155472555    3.073155957   -4.439362524 
   H   -0.647556373    1.164912503   -5.666322190 
   H   -1.684967399   -1.060235481   -5.748555920 
   H   -2.396211194   -2.168411572   -3.645979020 
   H   -2.090700950   -1.081737319   -1.514080213 
   H   -0.846231667    4.113942200    0.480189071 
   H    0.421074067    2.927091404    0.942309014 
   H    0.818530785    4.284307649   -0.079592868 
   H   -2.297000697    0.146644827    0.040254644 
   H    0.480815903    0.649297803    0.884684260 
   H   -1.539617821    2.143017603    2.095966142 
   H   -3.831396618    2.870531827    1.965239636 
   H   -4.084710976    1.899691697    0.402602753 
   H    1.470809916    0.075090550    2.771152083 
   H    3.914705155   -3.445730426    3.356499698 
   H    0.218214645   -3.698962474    1.111766189 
