 46 
 
   C    0.690868373    1.196314953   -0.913505610 
   C   -0.203514591    1.097256408   -2.019229002 
   C    0.168590172    1.618314135   -3.263859972 
   C    1.403775468    2.228064717   -3.441340795 
   C    2.309038320    2.336568811   -2.384872229 
   C    1.977208920    1.825666222   -1.102032771 
   C    3.548715063    2.956448175   -2.618688533 
   C    4.490905804    3.089069515   -1.604502785 
   C    4.201044244    2.601582146   -0.341911779 
   C    2.969888753    1.983533716   -0.098556033 
   C   -1.560430945    0.446228416   -1.925497434 
   C    0.265234783    0.610459680    0.441835103 
   N    1.079686372   -0.546699905    0.787069913 
   C    0.235493674    1.622181022    1.565727394 
   C    0.748210291    1.507956120    2.801158143 
   C    0.695006324   -1.852189296    0.919439175 
   C   -0.723164226   -2.198547592    1.134380312 
   O    1.515464679   -2.762153428    0.867621784 
   C   -1.306466052   -3.155679273    0.297087451 
   C   -2.638922788   -3.529952676    0.509275385 
   C   -3.386854571   -2.970946162    1.555270966 
   C   -2.775990867   -2.030655688    2.397281615 
   C   -1.443562683   -1.644533160    2.197570753 
   N   -3.261807889   -4.517585028   -0.379679776 
   O   -4.340977617   -5.006894009   -0.021922781 
   O   -2.675741493   -4.787307790   -1.435840804 
   N   -3.541014824   -1.440739034    3.504482009 
   O   -2.973115430   -0.593871704    4.206355471 
   O   -4.708558663   -1.820687530    3.659743403 
   H   -0.504102080    1.551169186   -4.117112296 
   H    1.653762288    2.617389761   -4.426472279 
   H    3.793217341    3.344120134   -3.605973855 
   H    5.444596377    3.570206733   -1.802578925 
   H    4.927549847    2.698849247    0.460843854 
   H    2.808658519    1.627376293    0.913590442 
   H   -1.459770048   -0.603627655   -1.634714548 
   H   -2.190949543    0.978262938   -1.206103426 
   H   -2.085994461    0.462807422   -2.886686905 
   H   -0.768041828    0.271309232    0.366565682 
   H    2.070092323   -0.465114408    0.595072614 
   H   -0.280706817    2.551573119    1.323539998 
   H    0.649361629    2.319237836    3.517122871 
   H    1.277649692    0.619748274    3.131716866 
   H   -0.712934914   -3.599388614   -0.502484518 
   H   -4.423392654   -3.267853605    1.713802343 
   H   -0.958001055   -0.937270509    2.867011785 
