 40 
 
   C   -0.031489022    0.117067786   -1.440203677 
   C    0.313914074   -1.241552065   -1.514667783 
   C   -0.593968302   -2.230486189   -1.128943499 
   C   -1.867879187   -1.883448084   -0.667523547 
   C   -2.236661368   -0.534643152   -0.639870048 
   C   -1.329166526    0.455933296   -1.023423613 
   C   -2.848234875   -2.949225319   -0.274505267 
   C    0.964362033    1.208299936   -1.791914149 
   N    2.276558719    1.028277024   -1.178227712 
   C    1.109311948    1.351777547   -3.290200993 
   C    2.040930614    0.808012303   -4.089477763 
   C    2.600103978    0.990407428    0.152652546 
   O    3.761865241    1.055721645    0.535525339 
   C    1.535426480    0.832523818    1.153661168 
   C    1.292854876   -0.441459530    1.676379019 
   C    0.231569361   -0.617018964    2.570964193 
   C   -0.553689067    0.471946186    2.976770333 
   C   -0.263331887    1.744711303    2.463626246 
   C    0.783210003    1.938234057    1.553672767 
   N   -1.089837273    2.888944191    2.858717328 
   O   -1.804183396    2.760974743    3.861017189 
   O   -1.027638234    3.906301106    2.155205869 
   N   -0.084168583   -1.964202685    3.061376288 
   O   -1.107961557   -2.098124863    3.745402531 
   O    0.689196839   -2.883464055    2.761317351 
   H    1.303437306   -1.536747580   -1.859189517 
   H   -0.297338704   -3.276089165   -1.188028100 
   H   -3.236887540   -0.247557650   -0.321072185 
   H   -1.643607435    1.497273564   -0.987725344 
   H   -2.331382365   -3.817653273    0.147364759 
   H   -3.539211807   -2.580375227    0.490837294 
   H   -3.424474578   -3.268735776   -1.148133801 
   H    0.600583841    2.168935615   -1.405236907 
   H    3.080844015    1.253724156   -1.749315595 
   H    0.349377508    1.976797817   -3.758376669 
   H    2.024600375    0.992413268   -5.160089709 
   H    2.818570640    0.149812428   -3.715012405 
   H    1.904996451   -1.280024555    1.347908231 
   H   -1.382160420    0.330534661    3.669972394 
   H    1.011557827    2.922184254    1.148767437 
