Mind 0.23  0.5667
 15            4.562    -7.653     1.300          P
  8            5.836    -8.366     1.520          O
  8            3.404    -8.137     2.090          O
  8            7.904    -3.753     3.130          O
  8            4.759    -6.091     1.550          O
  6            5.002    -3.053     2.910          C
  6            5.608    -4.256     3.620          C
  6            6.806    -4.574     2.740          C
  6            6.300    -4.233     1.340          C
  6            5.558    -5.330     0.610          C
  8            5.387    -3.110     1.550          O
  7            2.558     1.586     3.480          N
  1            1.828     2.264     3.570          H
  1            3.499     1.875     3.490          H
  8           -0.819    -1.501     3.250          O
  6            0.399    -1.331     3.230          C
  6            1.431    -2.290     3.100          C
  7            1.360    -3.677     2.960          N
  6            2.611    -4.052     2.880          C
  7            3.515    -3.013     2.960          N
  6            2.751    -1.877     3.100          C
  7            3.233    -0.611     3.220          N
  6            2.262     0.290     3.350          C
  7            0.919    -0.031     3.350          N
  1            0.234     0.692     3.440          H
 15            8.189    -3.510     4.680          P
  8            9.638    -3.338     4.900          O
  8            7.536    -4.582     5.470          O
  8            8.601     1.610     6.510          O
  8            7.431    -2.131     4.930          O
  6            5.841     0.470     6.290          C
  6            7.038    -0.147     7.000          C
  6            8.194     0.300     6.120          C
  6            7.585     0.278     4.720          C
  6            7.629    -1.045     3.990          C
  8            6.186     0.650     4.930          O
  8            1.223    -2.541     6.490          O
  6            2.286    -1.912     6.440          C
  7            2.298    -0.539     6.530          N
  1            1.430    -0.032     6.640          H
  6            3.408     0.280     6.490          C
  8            3.320     1.492     6.580          O
  7            4.615    -0.371     6.340          N
  6            4.699    -1.738     6.240          C
  6            3.592    -2.506     6.290          C
  6            3.627    -4.000     6.180          C
 15            8.689     1.974     8.060          P
  8            9.759     2.965     8.280          O
  8            8.790     0.723     8.850          O
  8            6.012     6.358     9.890          O
  8            7.264     2.644     8.310          O
  6            4.449     3.814     9.670          C
  6            5.781     4.018    10.380          C
  6            6.453     5.060     9.500          C
  6            5.973     4.683     8.100          C
  6            6.786     3.639     7.370          C
  8            4.622     4.162     8.310          O
  7           -0.718     2.923    10.240          N
  1           -1.588     2.438    10.330          H
  1           -0.702     3.908    10.250          H
  8            1.175    -1.242    10.010          O
  6            1.390    -0.032     9.990          C
  6            2.620     0.653     9.860          C
  7            3.917     0.157     9.720          N
  6            4.660     1.231     9.640          C
  7            3.952     2.412     9.720          N
  6            2.635     2.036     9.860          C
  7            1.580     2.886     9.980          N
  6            0.423     2.240    10.110          C
  7            0.313     0.865    10.110          N
  1           -0.586     0.436    10.200          H
 15            5.869     6.704    11.440          P
  8            6.153     8.135    11.660          O
  8            6.687     5.752    12.230          O
  8            1.127     8.677    13.270          O
  8            4.323     6.408    11.690          O
  6            1.358     5.700    13.050          C
  6            2.315     6.648    13.760          C
  6            2.246     7.886    12.880          C
  6            2.079     7.300    11.480          C
  6            3.351     6.932    10.750          C
  8            1.293     6.084    11.690          O
  7            1.802    -0.318    13.380          N
  1            1.299    -1.187    13.480          H
  1            2.812    -0.320    13.290          H
  6            1.129     0.845    13.370          C
  6            1.761     2.099    13.240          C
  7            3.087     2.464    13.090          N
  6            3.046     3.761    13.020          C
  7            1.779     4.274    13.100          N
  6            0.946     3.193    13.240          C
  7           -0.395     3.216    13.360          N
  6           -0.862     1.992    13.480          C
  7           -0.207     0.835    13.490          N
 15            0.808     8.873    14.820          P
  8            0.196    10.198    15.040          O
  8            2.029     8.583    15.610          O
  8           -4.189     7.682    16.650          O
  8           -0.270     7.725    15.070          O
  6           -2.252     5.410    16.430          C
  6           -2.035     6.740    17.140          C
  6           -2.818     7.701    16.260          C
  6           -2.608     7.128    14.860          C
  6           -1.364     7.578    14.130          C
  8           -2.530     5.682    15.070          O
  7           -3.002     0.220    17.000          N
  1           -2.810    -0.757    17.090          H
  1           -3.933     0.540    17.010          H
  8            1.545     0.733    16.770          O
  6            0.459     1.312    16.750          C
  6            0.188     2.693    16.620          C
  7            1.061     3.774    16.480          N
  6            0.269     4.812    16.400          C
  7           -1.073     4.504    16.480          N
  6           -1.123     3.135    16.620          C
  7           -2.256     2.394    16.740          N
  6           -2.000     1.095    16.870          C
  7           -0.726     0.565    16.870          N
  1           -0.595    -0.422    16.960          H
 15           -4.562     7.653    18.200          P
  8           -5.836     8.366    18.420          O
  8           -3.404     8.137    18.990          O
  8           -7.904     3.753    20.030          O
  8           -4.759     6.091    18.450          O
  6           -5.002     3.053    19.810          C
  6           -5.608     4.256    20.520          C
  6           -6.806     4.574    19.640          C
  6           -6.300     4.233    18.240          C
  6           -5.558     5.330    17.510          C
  8           -5.387     3.110    18.450          O
  7            0.508     2.713    20.010          N
  1            0.933     1.803    20.120          H
  1            1.088     3.536    19.940          H
  6           -0.810     2.826    19.960          C
  7           -1.549     1.714    20.060          N
  6           -2.902     1.771    20.010          C
  8           -3.611     0.761    20.100          O
  7           -3.515     3.013    19.860          N
  6           -2.776     4.147    19.760          C
  6           -1.416     4.113    19.810          C
 15           -8.189     3.510    21.580          P
  8           -9.638     3.338    21.800          O
  8           -7.536     4.582    22.370          O
  8           -8.601    -1.610    23.410          O
  8           -7.431     2.131    21.830          O
  6           -5.841    -0.470    23.190          C
  6           -7.038     0.147    23.900          C
  6           -8.194    -0.300    23.020          C
  6           -7.585    -0.278    21.620          C
  6           -7.629     1.045    20.890          C
  8           -6.186    -0.650    21.830          O
  7           -1.137    -2.787    23.760          N
  1           -0.148    -2.906    23.850          H
  1           -1.729    -3.574    23.770          H
  8           -0.220     1.696    23.530          O
  6           -1.106     0.842    23.510          C
  6           -2.503     1.011    23.380          C
  7           -3.261     2.175    23.240          N
  6           -4.494     1.743    23.160          C
  7           -4.615     0.371    23.240          N
  6           -3.329    -0.099    23.380          C
  7           -2.974    -1.406    23.500          N
  6           -1.659    -1.564    23.630          C
  7           -0.762    -0.516    23.630          N
  1            0.218    -0.697    23.720          H
 15           -8.689    -1.974    24.960          P
  8           -9.759    -2.965    25.180          O
  8           -8.790    -0.723    25.750          O
  8           -6.012    -6.358    26.790          O
  8           -7.264    -2.644    25.210          O
  6           -4.449    -3.814    26.570          C
  6           -5.781    -4.018    27.280          C
  6           -6.453    -5.060    26.400          C
  6           -5.973    -4.683    25.000          C
  6           -6.786    -3.639    24.270          C
  8           -4.622    -4.162    25.210          O
  7           -2.423     1.321    26.770          N
  1           -1.427     1.444    26.880          H
  1           -3.027     2.128    26.700          H
  6           -2.938     0.103    26.720          C
  7           -2.109    -0.943    26.820          N
  6           -2.582    -2.213    26.770          C
  8           -1.839    -3.199    26.860          O
  7           -3.952    -2.412    26.620          N
  6           -4.801    -1.359    26.520          C
  6           -4.349    -0.076    26.570          C
 15           -5.869    -6.704    28.340          P
  8           -6.153    -8.135    28.560          O
  8           -6.687    -5.752    29.130          O
  8           -1.127    -8.677    30.170          O
  8           -4.323    -6.408    28.590          O
  6           -1.358    -5.700    29.950          C
  6           -2.315    -6.648    30.660          C
  6           -2.246    -7.886    29.780          C
  6           -2.079    -7.300    28.380          C
  6           -3.351    -6.932    27.650          C
  8           -1.293    -6.084    28.590          O
  8           -2.795    -0.378    30.150          O
  6           -2.524    -1.584    30.100          C
  7           -1.223    -2.019    30.190          N
  1           -0.473    -1.350    30.300          H
  6           -0.787    -3.328    30.150          C
  8            0.393    -3.619    30.240          O
  7           -1.779    -4.274    30.000          N
  6           -3.105    -3.932    29.900          C
  6           -3.493    -2.642    29.950          C
  6           -4.925    -2.214    29.840          C
 15           -0.808    -8.873    31.720          P
  8           -0.196   -10.198    31.940          O
  8           -2.029    -8.583    32.510          O
  8            4.189    -7.682    33.550          O
  8            0.270    -7.725    31.970          O
  6            2.252    -5.410    33.330          C
  6            2.035    -6.740    34.040          C
  6            2.818    -7.701    33.160          C
  6            2.608    -7.128    31.760          C
  6            1.364    -7.578    31.030          C
  8            2.530    -5.682    31.970          O
  7           -2.005    -1.896    33.530          N
  1           -1.814    -0.911    33.640          H
  1           -2.959    -2.222    33.460          H
  6           -1.006    -2.763    33.480          C
  7            0.245    -2.297    33.580          N
  6            1.307    -3.139    33.530          C
  8            2.474    -2.738    33.620          O
  7            1.073    -4.504    33.380          N
  6           -0.192    -4.986    33.280          C
  6           -1.272    -4.160    33.330          C
 15            4.562    -7.653    35.100          P
  8            5.836    -8.366    35.320          O
  8            3.404    -8.137    35.890          O
  8            7.904    -3.753    36.930          O
  8            4.759    -6.091    35.350          O
  6            5.002    -3.053    36.710          C
  6            5.608    -4.256    37.420          C
  6            6.806    -4.574    36.540          C
  6            6.300    -4.233    35.140          C
  6            5.558    -5.330    34.410          C
  8            5.387    -3.110    35.350          O
  7           -0.859    -1.616    37.040          N
  1           -1.531    -0.869    37.140          H
  1           -1.173    -2.575    36.950          H
  6            0.454    -1.335    37.030          C
  6            1.452    -2.324    36.900          C
  7            1.390    -3.697    36.750          N
  6            2.636    -4.059    36.680          C
  7            3.515    -3.013    36.760          N
  6            2.744    -1.886    36.900          C
  7            3.180    -0.618    37.020          N
  6            2.160     0.204    37.140          C
  7            0.858    -0.061    37.150          N
 15            8.189    -3.510    38.480          P
  8            9.638    -3.338    38.700          O
  8            7.536    -4.582    39.270          O
  8            8.601     1.610    40.310          O
  8            7.431    -2.131    38.730          O
  6            5.841     0.470    40.090          C
  6            7.038    -0.147    40.800          C
  6            8.194     0.300    39.920          C
  6            7.585     0.278    38.520          C
  6            7.629    -1.045    37.790          C
  8            6.186     0.650    38.730          O
  7            1.184    -2.493    40.290          N
  1            0.305    -2.007    40.400          H
  1            1.198    -3.501    40.220          H
  6            2.317    -1.810    40.240          C
  7            2.260    -0.476    40.340          N
  6            3.389     0.273    40.290          C
  8            3.368     1.507    40.380          O
  7            4.615    -0.371    40.140          N
  6            4.683    -1.723    40.040          C
  6            3.563    -2.495    40.090          C
 15            8.689     1.974    41.860          P
  8            9.759     2.965    42.080          O
  8            8.790     0.723    42.650          O
  8            6.012     6.358    43.690          O
  8            7.264     2.644    42.110          O
  6            4.449     3.814    43.470          C
  6            5.781     4.018    44.180          C
  6            6.453     5.060    43.300          C
  6            5.973     4.683    41.900          C
  6            6.786     3.639    41.170          C
  8            4.622     4.162    42.110          O
  7            1.271    -1.316    43.800          N
  1            0.353    -1.724    43.900          H
  1            2.087    -1.912    43.710          H
  6            1.410     0.020    43.790          C
  6            2.659     0.663    43.660          C
  7            3.946     0.179    43.510          N
  6            4.675     1.253    43.440          C
  7            3.952     2.412    43.520          N
  6            2.642     2.027    43.660          C
  7            1.571     2.834    43.780          N
  6            0.473     2.118    43.900          C
  7            0.324     0.797    43.910          N
  1            5.869     6.704    45.240          H
  1           -8.189    -3.510    46.020          H
  8           -8.601     1.610    44.190          O
  8           -7.431    -2.131    45.770          O
  6           -5.841     0.470    44.410          C
  6           -7.038    -0.147    43.700          C
  6           -8.194     0.300    44.580          C
  6           -7.585     0.278    45.980          C
  6           -7.629    -1.045    46.710          C
  8           -6.186     0.650    45.770          O
  8           -1.223    -2.541    44.210          O
  6           -2.286    -1.912    44.260          C
  7           -2.298    -0.539    44.170          N
  1           -1.430    -0.032    44.060          H
  6           -3.408     0.280    44.210          C
  8           -3.320     1.492    44.120          O
  7           -4.615    -0.371    44.360          N
  6           -4.699    -1.738    44.460          C
  6           -3.592    -2.506    44.410          C
  6           -3.627    -4.000    44.520          C
 15           -8.689     1.974    42.640          P
  8           -9.759     2.965    42.420          O
  8           -8.790     0.723    41.850          O
  8           -6.012     6.358    40.810          O
  8           -7.264     2.644    42.390          O
  6           -4.449     3.814    41.030          C
  6           -5.781     4.018    40.320          C
  6           -6.453     5.060    41.200          C
  6           -5.973     4.683    42.600          C
  6           -6.786     3.639    43.330          C
  8           -4.622     4.162    42.390          O
  7            0.718     2.923    40.460          N
  1            1.588     2.438    40.370          H
  1            0.702     3.908    40.450          H
  8           -1.175    -1.242    40.690          O
  6           -1.390    -0.032    40.710          C
  6           -2.620     0.653    40.840          C
  7           -3.917     0.157    40.980          N
  6           -4.660     1.231    41.060          C
  7           -3.952     2.412    40.980          N
  6           -2.635     2.036    40.840          C
  7           -1.580     2.886    40.720          N
  6           -0.423     2.240    40.590          C
  7           -0.313     0.865    40.590          N
  1            0.586     0.436    40.500          H
 15           -5.869     6.704    39.260          P
  8           -6.153     8.135    39.040          O
  8           -6.687     5.752    38.470          O
  8           -1.127     8.677    37.430          O
  8           -4.323     6.408    39.010          O
  6           -1.358     5.700    37.650          C
  6           -2.315     6.648    36.940          C
  6           -2.246     7.886    37.820          C
  6           -2.079     7.300    39.220          C
  6           -3.351     6.932    39.950          C
  8           -1.293     6.084    39.010          O
  8           -2.795     0.378    37.450          O
  6           -2.524     1.584    37.500          C
  7           -1.223     2.019    37.410          N
  1           -0.473     1.350    37.300          H
  6           -0.787     3.328    37.450          C
  8            0.393     3.619    37.360          O
  7           -1.779     4.274    37.600          N
  6           -3.105     3.932    37.700          C
  6           -3.493     2.642    37.650          C
  6           -4.925     2.214    37.760          C
 15           -0.808     8.873    35.880          P
  8           -0.196    10.198    35.660          O
  8           -2.029     8.583    35.090          O
  8            4.189     7.682    34.050          O
  8            0.270     7.725    35.630          O
  6            2.252     5.410    34.270          C
  6            2.035     6.740    33.560          C
  6            2.818     7.701    34.440          C
  6            2.608     7.128    35.840          C
  6            1.364     7.578    36.570          C
  8            2.530     5.682    35.630          O
  7            3.002     0.220    33.700          N
  1            2.810    -0.757    33.610          H
  1            3.933     0.540    33.690          H
  8           -1.545     0.733    33.930          O
  6           -0.459     1.312    33.950          C
  6           -0.188     2.693    34.080          C
  7           -1.061     3.774    34.220          N
  6           -0.269     4.812    34.300          C
  7            1.073     4.504    34.220          N
  6            1.123     3.135    34.080          C
  7            2.256     2.394    33.960          N
  6            2.000     1.095    33.830          C
  7            0.726     0.565    33.830          N
  1            0.595    -0.422    33.740          H
 15            4.562     7.653    32.500          P
  8            5.836     8.366    32.280          O
  8            3.404     8.137    31.710          O
  8            7.904     3.753    30.670          O
  8            4.759     6.091    32.250          O
  6            5.002     3.053    30.890          C
  6            5.608     4.256    30.180          C
  6            6.806     4.574    31.060          C
  6            6.300     4.233    32.460          C
  6            5.558     5.330    33.190          C
  8            5.387     3.110    32.250          O
  7           -0.859     1.616    30.560          N
  1           -1.531     0.869    30.460          H
  1           -1.173     2.575    30.650          H
  6            0.454     1.335    30.570          C
  6            1.452     2.324    30.700          C
  7            1.390     3.697    30.850          N
  6            2.636     4.059    30.920          C
  7            3.515     3.013    30.840          N
  6            2.744     1.886    30.700          C
  7            3.180     0.618    30.580          N
  6            2.160    -0.204    30.460          C
  7            0.858     0.061    30.450          N
 15            8.189     3.510    29.120          P
  8            9.638     3.338    28.900          O
  8            7.536     4.582    28.330          O
  8            8.601    -1.610    27.290          O
  8            7.431     2.131    28.870          O
  6            5.841    -0.470    27.510          C
  6            7.038     0.147    26.800          C
  6            8.194    -0.300    27.680          C
  6            7.585    -0.278    29.080          C
  6            7.629     1.045    29.810          C
  8            6.186    -0.650    28.870          O
  7            1.137    -2.787    26.940          N
  1            0.148    -2.906    26.850          H
  1            1.729    -3.574    26.930          H
  8            0.220     1.696    27.170          O
  6            1.106     0.842    27.190          C
  6            2.503     1.011    27.320          C
  7            3.261     2.175    27.460          N
  6            4.494     1.743    27.540          C
  7            4.615     0.371    27.460          N
  6            3.329    -0.099    27.320          C
  7            2.974    -1.406    27.200          N
  6            1.659    -1.564    27.070          C
  7            0.762    -0.516    27.070          N
  1           -0.218    -0.697    26.980          H
 15            8.689    -1.974    25.740          P
  8            9.759    -2.965    25.520          O
  8            8.790    -0.723    24.950          O
  8            6.012    -6.358    23.910          O
  8            7.264    -2.644    25.490          O
  6            4.449    -3.814    24.130          C
  6            5.781    -4.018    23.420          C
  6            6.453    -5.060    24.300          C
  6            5.973    -4.683    25.700          C
  6            6.786    -3.639    26.430          C
  8            4.622    -4.162    25.490          O
  7            2.423     1.321    23.930          N
  1            1.427     1.444    23.820          H
  1            3.027     2.128    24.000          H
  6            2.938     0.103    23.980          C
  7            2.109    -0.943    23.880          N
  6            2.582    -2.213    23.930          C
  8            1.839    -3.199    23.840          O
  7            3.952    -2.412    24.080          N
  6            4.801    -1.359    24.180          C
  6            4.349    -0.076    24.130          C
 15            5.869    -6.704    22.360          P
  8            6.153    -8.135    22.140          O
  8            6.687    -5.752    21.570          O
  8            1.127    -8.677    20.530          O
  8            4.323    -6.408    22.110          O
  6            1.358    -5.700    20.750          C
  6            2.315    -6.648    20.040          C
  6            2.246    -7.886    20.920          C
  6            2.079    -7.300    22.320          C
  6            3.351    -6.932    23.050          C
  8            1.293    -6.084    22.110          O
  7           -2.299    -1.943    20.180          N
  1           -2.718    -1.039    20.090          H
  1           -2.864    -2.749    20.170          H
  8            1.681     0.315    20.410          O
  6            1.143    -0.791    20.430          C
  6            1.736    -2.068    20.560          C
  7            3.076    -2.430    20.700          N
  6            3.046    -3.735    20.780          C
  7            1.779    -4.274    20.700          N
  6            0.935    -3.196    20.560          C
  7           -0.418    -3.263    20.440          N
  6           -0.974    -2.061    20.310          C
  7           -0.255    -0.884    20.310          N
  1           -0.730    -0.008    20.220          H
 15            0.808    -8.873    18.980          P
  8            0.196   -10.198    18.760          O
  8            2.029    -8.583    18.190          O
  8           -4.189    -7.682    17.150          O
  8           -0.270    -7.725    18.730          O
  6           -2.252    -5.410    17.370          C
  6           -2.035    -6.740    16.660          C
  6           -2.818    -7.701    17.540          C
  6           -2.608    -7.128    18.940          C
  6           -1.364    -7.578    19.670          C
  8           -2.530    -5.682    18.730          O
  7            2.005    -1.896    17.170          N
  1            1.814    -0.911    17.060          H
  1            2.959    -2.222    17.240          H
  6            1.006    -2.763    17.220          C
  7           -0.245    -2.297    17.120          N
  6           -1.307    -3.139    17.170          C
  8           -2.474    -2.738    17.080          O
  7           -1.073    -4.504    17.320          N
  6            0.192    -4.986    17.420          C
  6            1.272    -4.160    17.370          C
 15           -4.562    -7.653    15.600          P
  8           -5.836    -8.366    15.380          O
  8           -3.404    -8.137    14.810          O
  8           -7.904    -3.753    13.770          O
  8           -4.759    -6.091    15.350          O
  6           -5.002    -3.053    13.990          C
  6           -5.608    -4.256    13.280          C
  6           -6.806    -4.574    14.160          C
  6           -6.300    -4.233    15.560          C
  6           -5.558    -5.330    16.290          C
  8           -5.387    -3.110    15.350          O
  8            0.504    -2.775    13.790          O
  6           -0.726    -2.890    13.840          C
  7           -1.542    -1.787    13.750          N
  1           -1.138    -0.867    13.640          H
  6           -2.922    -1.777    13.790          C
  8           -3.563    -0.744    13.700          O
  7           -3.515    -3.013    13.940          N
  6           -2.780    -4.168    14.040          C
  6           -1.433    -4.139    13.990          C
  6           -0.583    -5.368    14.100          C
 15           -8.189    -3.510    12.220          P
  8           -9.638    -3.338    12.000          O
  8           -7.536    -4.582    11.430          O
  8           -8.601     1.610    10.390          O
  8           -7.431    -2.131    11.970          O
  6           -5.841     0.470    10.610          C
  6           -7.038    -0.147     9.900          C
  6           -8.194     0.300    10.780          C
  6           -7.585     0.278    12.180          C
  6           -7.629    -1.045    12.910          C
  8           -6.186     0.650    11.970          O
  7           -1.184    -2.493    10.410          N
  1           -0.305    -2.007    10.300          H
  1           -1.198    -3.501    10.480          H
  6           -2.317    -1.810    10.460          C
  7           -2.260    -0.476    10.360          N
  6           -3.389     0.273    10.410          C
  8           -3.368     1.507    10.320          O
  7           -4.615    -0.371    10.560          N
  6           -4.683    -1.723    10.660          C
  6           -3.563    -2.495    10.610          C
 15           -8.689     1.974     8.840          P
  8           -9.759     2.965     8.620          O
  8           -8.790     0.723     8.050          O
  8           -6.012     6.358     7.010          O
  8           -7.264     2.644     8.590          O
  6           -4.449     3.814     7.230          C
  6           -5.781     4.018     6.520          C
  6           -6.453     5.060     7.400          C
  6           -5.973     4.683     8.800          C
  6           -6.786     3.639     9.530          C
  8           -4.622     4.162     8.590          O
  7           -1.271    -1.316     6.900          N
  1           -0.353    -1.724     6.800          H
  1           -2.087    -1.912     6.990          H
  6           -1.410     0.020     6.910          C
  6           -2.659     0.663     7.040          C
  7           -3.946     0.179     7.190          N
  6           -4.675     1.253     7.260          C
  7           -3.952     2.412     7.180          N
  6           -2.642     2.027     7.040          C
  7           -1.571     2.834     6.920          N
  6           -0.473     2.118     6.800          C
  7           -0.324     0.797     6.790          N
 15           -5.869     6.704     5.460          P
  8           -6.153     8.135     5.240          O
  8           -6.687     5.752     4.670          O
  8           -1.127     8.677     3.630          O
  8           -4.323     6.408     5.210          O
  6           -1.358     5.700     3.850          C
  6           -2.315     6.648     3.140          C
  6           -2.246     7.886     4.020          C
  6           -2.079     7.300     5.420          C
  6           -3.351     6.932     6.150          C
  8           -1.293     6.084     5.210          O
  7           -2.737     0.355     3.650          N
  1           -2.003    -0.330     3.540          H
  1           -3.700     0.058     3.720          H
  6           -2.437     1.644     3.700          C
  7           -1.152     2.003     3.600          N
  6           -0.788     3.307     3.650          C
  8            0.392     3.669     3.560          O
  7           -1.779     4.274     3.800          N
  6           -3.086     3.921     3.900          C
  6           -3.474     2.618     3.850          C
 15           -0.808     8.873     2.080          P
  8           -0.196    10.198     1.860          O
  8           -2.029     8.583     1.290          O
