 46 
 
   C   -1.209932073   -0.921182939   -0.258234691 
   C   -1.129934129   -1.713773892   -1.451909062 
   C   -0.996411310   -1.099448339   -2.701184115 
   C   -0.944581163    0.280459789   -2.810061714 
   C   -1.033775863    1.092641861   -1.681314034 
   C   -1.182028126    0.525107558   -0.382335652 
   C   -0.958711609    2.482916228   -1.874661636 
   C   -1.035213955    3.366575300   -0.806731085 
   C   -1.196403348    2.863152523    0.468996926 
   C   -1.268684519    1.478490787    0.670847841 
   C   -1.161245749   -3.225810606   -1.444118561 
   C   -1.282317462   -1.695466471    1.068870839 
   N   -0.071370141   -2.443353653    1.416729962 
   C   -1.761942886   -1.044533049    2.335275240 
   C   -3.036561599   -1.034920390    2.755398279 
   C    1.229208497   -2.048127607    1.561484403 
   C    1.699048184   -0.793423695    0.966425241 
   O    2.040073728   -2.742503888    2.164635632 
   C    1.810966729    0.346908465    1.762649698 
   C    2.251512782    1.538370482    1.172578446 
   C    2.603129282    1.590666937   -0.184106142 
   C    2.513228052    0.420432195   -0.950764571 
   C    2.081400702   -0.781516797   -0.378281328 
   N    2.307092572    2.760119500    1.980064409 
   O    2.959426921    3.713118305    1.534299977 
   O    1.692296469    2.762923959    3.055678962 
   N    2.841502335    0.460650609   -2.380462953 
   O    2.895746002   -0.616254418   -2.990021926 
   O    3.046636324    1.570500371   -2.890731149 
   H   -0.923445566   -1.695615593   -3.609523402 
   H   -0.832557135    0.715250813   -3.802366982 
   H   -0.839688324    2.895950191   -2.875725262 
   H   -0.979233729    4.438684252   -0.974844533 
   H   -1.270324219    3.539613630    1.317960501 
   H   -1.395246903    1.182789109    1.702589799 
   H   -0.279478172   -3.629224922   -0.939258625 
   H   -2.073435438   -3.594553643   -0.966246715 
   H   -1.158666797   -3.632546961   -2.461846853 
   H   -2.025419496   -2.484927056    0.890716334 
   H   -0.242967237   -3.306395817    1.917611066 
   H   -1.011232306   -0.604074252    2.988136370 
   H   -3.307208439   -0.571817083    3.700084718 
   H   -3.837572723   -1.476943459    2.169814812 
   H    1.542667325    0.298594319    2.815953303 
   H    2.924540253    2.527696465   -0.636769902 
   H    2.007114259   -1.695199120   -0.965301865 
