 46 
 
   C   -0.811240419    1.490302591   -1.034432990 
   C    0.431508267    2.052876101   -1.457196301 
   C    0.609116235    2.403433978   -2.802844428 
   C   -0.415041194    2.249096765   -3.727061541 
   C   -1.657152976    1.746758739   -3.341169537 
   C   -1.889176039    1.364912086   -1.992540358 
   C   -2.665955181    1.631099942   -4.313243970 
   C   -3.928501159    1.148620258   -3.988067389 
   C   -4.196077376    0.780141922   -2.681384624 
   C   -3.198248129    0.888340822   -1.705684996 
   C    1.628487008    2.279577990   -0.566668230 
   C   -1.027934994    1.020070270    0.413802313 
   N   -0.026290281    0.033692963    0.799144041 
   C   -1.083865370    2.105277479    1.468150895 
   C   -1.211044605    3.428811254    1.286264611 
   C   -0.286483133   -0.965354217    1.707023795 
   C    0.818290206   -1.926313598    1.973364180 
   O   -1.344944612   -1.090491335    2.309689272 
   C    0.869010878   -2.542030201    3.232585744 
   C    1.884480162   -3.465339116    3.517121082 
   C    2.850466292   -3.788655059    2.555432719 
   C    2.780149400   -3.176115449    1.297607549 
   C    1.767909271   -2.251507552    0.996468460 
   N    1.939496711   -4.098188339    4.841829659 
   O    2.764349833   -5.006645811    5.006115249 
   O    1.165675692   -3.679501241    5.711979047 
   N    3.782173662   -3.502910224    0.274987752 
   O    3.825107682   -2.782050325   -0.730874581 
   O    4.523813719   -4.470164294    0.487371256 
   H    1.559680432    2.810670310   -3.144353334 
   H   -0.230901293    2.539563283   -4.759546772 
   H   -2.474015013    1.923246478   -5.344052108 
   H   -4.697703625    1.067612016   -4.750812359 
   H   -5.181171314    0.409309657   -2.409401629 
   H   -3.492474195    0.594581493   -0.702536194 
   H    1.370307843    2.403541768    0.485075959 
   H    2.327233483    1.442259385   -0.663152230 
   H    2.151717657    3.198245984   -0.856950165 
   H   -1.974927657    0.488188198    0.504424447 
   H    0.894312935    0.138876402    0.409599851 
   H   -1.061949907    1.746307058    2.496876121 
   H   -1.265252971    4.100093405    2.138113877 
   H   -1.279602032    3.876248455    0.299341653 
   H    0.112361214   -2.294554826    3.978377269 
   H    3.640370190   -4.504787152    2.780598550 
   H    1.703934841   -1.817148022    0.000628942 
