 46 
 
   C    0.385736200    1.053200800    0.709562800 
   C    1.693598400    1.376026100    0.341203400 
   C    2.001352200    1.553891900   -1.036783400 
   C    1.051117600    1.400535500   -2.018296600 
   C   -0.299581000    1.132624900   -1.674875200 
   C   -0.652475900    1.008789900   -0.286875000 
   C   -1.295803300    0.959417200   -2.676837900 
   C   -2.608694400    0.711310900   -2.337808300 
   C   -2.979601800    0.653195700   -0.972669900 
   C   -2.031447300    0.796360800    0.019940800 
   C    2.836612500    1.483448300    1.327948800 
   C    0.059997700    0.596248400    2.136324000 
   N    0.990650500   -0.444871900    2.627227100 
   C   -0.055898200    1.690378600    3.176084900 
   C   -0.072770000    3.001440600    2.928136100 
   C    1.469030300   -1.505386500    1.898966000 
   C    0.657632200   -1.893358200    0.684900000 
   O    2.509689600   -2.075111000    2.175959400 
   C    1.305633400   -1.897962100   -0.557342200 
   C    0.550922600   -2.084291400   -1.711425400 
   C   -0.820775000   -2.329443000   -1.678839200 
   C   -1.422634400   -2.379819400   -0.427475700 
   C   -0.711115900   -2.163282100    0.754054000 
   N    1.206603700   -1.920601700   -3.028677600 
   O    0.487773700   -1.926829700   -4.014820200 
   O    2.415748300   -1.765737200   -3.040540500 
   N   -2.890704900   -2.546828600   -0.353111700 
   O   -3.405998000   -2.484634400    0.751741300 
   O   -3.492917900   -2.708214800   -1.400208100 
   H    3.033228200    1.783545900   -1.315960900 
   H    1.325807600    1.486696100   -3.072982500 
   H   -0.994168500    1.013743500   -3.726157000 
   H   -3.363705100    0.564915100   -3.113714000 
   H   -4.022632300    0.473231200   -0.700899800 
   H   -2.361170300    0.746329600    1.058131000 
   H    2.513926300    1.880777100    2.299215200 
   H    3.313415400    0.503616300    1.504557100 
   H    3.614880100    2.155041000    0.934636900 
   H   -0.933887600    0.127988800    2.112391400 
   H    1.624324100   -0.178516300    3.376101600 
   H   -0.193204800    1.325805800    4.202366300 
   H   -0.217100600    3.725220600    3.734644400 
   H    0.053520900    3.393742000    1.914578200 
   H    2.371986000   -1.689787600   -0.632690700 
   H   -1.400303600   -2.437307000   -2.592580100 
   H   -1.246596500   -2.165539600    1.702901600 
