Mind    0.275   0.700
  6   -0.912701    0.207718   -0.755288  C   
  6   -0.020553    1.204230   -0.425372  C   
  6   -1.963750   -0.122942    0.202970  C   
  1   -1.028036   -0.132906   -1.763926  H   
  8   -1.958835    0.310373    1.345083  O   
  6   -3.072633   -1.028955   -0.299443  C   
  1   -0.209518    1.768815    0.464379  H   
  1    0.519028    1.717702   -1.198335  H   
  6    0.410996   -1.666810   -0.275465  C   
  1   -3.672508   -0.494768   -1.030282  H   
  1   -2.666152   -1.910542   -0.780865  H   
  1   -3.703099   -1.319747    0.528426  H   
  6    1.555961   -0.858779   -0.846675  C   
  1   -0.062816   -2.468261   -0.801477  H   
  6    0.429761   -1.507742    1.091251  C   
  6    1.682943    0.196652    0.244564  C   
  1    2.451329   -1.480585   -0.819653  H   
  1    1.414484   -0.485407   -1.846767  H   
  6    1.198652   -0.381790    1.411487  C   
  1   -0.161766   -2.057767    1.789729  H   
  1    2.427418    0.966085    0.222419  H   
  1    1.292158    0.035994    2.390610  H   
  8  -10.127970   -2.140954    0.847635  O   
  1  -10.417324   -3.042210    0.705361  H   
  1  -10.597788   -1.631054    0.187706  H   
  8   -2.866334   -8.551296    5.592873  O   
  1   -3.368455   -7.979459    6.173484  H   
  1   -2.466805   -7.957148    4.957580  H   
  8   -8.930855   -4.407084   -0.883838  O   
  1   -8.494720   -4.846711   -0.153944  H   
  1   -9.477606   -5.085348   -1.280390  H   
  8   -5.948215   -3.498758    9.375929  O   
  1   -5.059577   -3.413758    9.721367  H   
  1   -5.836836   -3.502103    8.425236  H   
  8   -6.415131   -5.413117    4.497487  O   
  1   -5.602390   -5.078093    4.118745  H   
  1   -7.057798   -4.722391    4.335907  H   
  8   -8.598032   -7.523457    9.583395  O   
  1   -8.781187   -7.519809   10.522902  H   
  1   -8.214636   -8.384586    9.416975  H   
  8   -4.240530  -10.887026    1.809738  O   
  1   -4.760458  -11.518648    2.306688  H   
  1   -3.519702  -11.401970    1.447150  H   
  8  -11.632940   12.258842    4.929874  O   
  1  -11.007301   12.725670    5.483843  H   
  1  -12.490086   12.569567    5.221395  H   
  8   -9.589643   -2.321244   -2.320788  O   
  1   -9.463818   -2.800328   -1.501716  H   
  1   -8.702665   -2.148854   -2.636670  H   
  8   -2.244191   -2.496046  -10.828094  O   
  1   -2.613477   -2.484023   -9.945078  H   
  1   -2.751648   -3.162433  -11.291393  H   
  8  -11.244265   -1.075329    3.994092  O   
  1  -11.330156   -1.554440    3.169890  H   
  1  -10.352268   -1.260781    4.287652  H   
  8   -5.946128   -2.915700    0.529326  O   
  1   -6.143187   -2.351126   -0.218107  H   
  1   -6.203008   -3.792028    0.242456  H   
  8   -7.603111    0.576317    0.323459  O   
  1   -7.699378   -0.142786    0.947843  H   
  1   -6.754725    0.965846    0.534975  H   
  8   -4.205081   -0.885793  -12.466967  O   
  1   -3.436825   -0.385481  -12.191830  H   
  1   -3.880070   -1.464904  -13.156336  H   
  8   12.156849   -8.687300    4.877006  O   
  1   12.886124   -9.277990    4.688663  H   
  1   12.062351   -8.161768    4.082575  H   
  8  -10.518959  -10.293926    2.199905  O   
  1  -10.049057   -9.628151    2.702068  H   
  1  -10.905600   -9.813770    1.467655  H   
  8   -5.059833   -9.507324    4.164700  O   
  1   -4.448681   -9.641148    4.889143  H   
  1   -4.691006  -10.015896    3.442513  H   
  8   -3.958464   -9.768223    8.803732  O   
  1   -4.651470   -9.638807    9.451210  H   
  1   -4.201342  -10.575493    8.350346  H   
  8   -7.270002   -7.247079    6.581718  O   
  1   -7.069160   -6.371413    6.251410  H   
  1   -8.226334   -7.287054    6.589705  H   
  8   -8.438976   -3.390373    4.107418  O   
  1   -8.639824   -3.081138    4.990745  H   
  1   -8.491127   -2.606205    3.560980  H   
  8   11.479145   -5.280856  -10.234062  O   
  1   11.750971   -4.396616  -10.479954  H   
  1   11.802595   -5.391448   -9.339981  H   
  8  -11.783487   -1.220258   -1.108976  O   
  1  -12.274199   -0.707901   -1.751569  H   
  1  -11.142817   -1.706227   -1.628213  H   
  8   12.187214   -6.779485    2.460101  O   
  1   12.971228   -6.616990    2.984648  H   
  1   11.496212   -6.286203    2.902167  H   
  8   -4.436381  -10.700993   11.708666  O   
  1   -4.458487  -11.346825   12.414812  H   
  1   -5.164932  -10.110550   11.900562  H   
  8  -11.139004   -4.127425    9.719189  O   
  1  -11.550039   -4.906499   10.093790  H   
  1  -11.821735   -3.733485    9.176123  H   
  8   -1.453761   -4.163530    2.349478  O   
  1   -1.831594   -4.304818    1.481427  H   
  1   -0.577224   -4.544184    2.294541  H   
  8   -9.055540  -11.263523   -0.475315  O   
  1   -8.226145  -11.353806   -0.006075  H   
  1   -9.504866  -10.543812   -0.032196  H   
  8    4.135027  -12.134195   11.881033  O   
  1    4.836888  -12.190474   12.529459  H   
  1    3.410574  -11.716888   12.347139  H   
  8   -4.260695   -4.412843    3.397878  O   
  1   -4.484744   -3.678264    3.969217  H   
  1   -3.806762   -4.010984    2.657144  H   
  8   11.442583   -7.966775   -5.112612  O   
  1   12.234903   -7.703410   -5.580691  H   
  1   11.499348   -8.920984   -5.062651  H   
  8   -1.433185    9.076906    7.223894  O   
  1   -1.027155    9.903912    7.483570  H   
  1   -0.696131    8.487528    7.063839  H   
  8   -3.447829   -2.985006   10.166725  O   
  1   -3.140833   -3.793291    9.756039  H   
  1   -2.648381   -2.495300   10.359865  H   
  8  -11.864876   -4.594440    0.749407  O   
  1  -11.872435   -5.413665    1.244428  H   
  1  -12.452862   -4.754631    0.011272  H   
  8   -9.622351   -8.162264    3.732340  O   
  1   -8.746607   -7.965510    3.399782  H   
  1   -9.904875   -7.352809    4.158009  H   
  8    9.842493   -7.010738   11.082989  O   
  1   10.395552   -7.684019   10.686693  H   
  1    8.998453   -7.102711   10.640985  H   
  8    1.149027    7.358296    4.022485  O   
  1    0.490707    7.792947    3.480337  H   
  1    0.834342    7.471812    4.919323  H   
  8   -3.225372   -5.425275    9.073492  O   
  1   -2.337027   -5.644036    9.354950  H   
  1   -3.569815   -6.241176    8.710318  H   
  8   -6.019935   -8.542450   12.008629  O   
  1   -5.795895   -7.970681   11.274384  H   
  1   -6.964744   -8.434204   12.117493  H   
  8   -2.384012   -4.666733    5.362738  O   
  1   -3.070175   -4.814052    4.711807  H   
  1   -2.857985   -4.496548    6.176752  H   
  8  -10.110754   -7.226789    7.191976  O   
  1   -9.653635   -7.554907    7.966321  H   
  1  -10.028299   -6.274913    7.249985  H   
  8   12.263178   -9.199656    9.639572  O   
  1   12.777605   -9.907047   10.028408  H   
  1   11.877672   -9.587185    8.853800  H   
  8   -3.049736   -4.488974    0.101938  O   
  1   -2.486470   -4.266666   -0.639373  H   
  1   -3.904288   -4.666958   -0.290867  H   
  8    2.463236   -2.921210    3.375957  O   
  1    2.953612   -2.872907    4.196583  H   
  1    1.559132   -2.729356    3.624995  H   
  8   -7.255021   -9.708965    8.739887  O   
  1   -6.954938  -10.588537    8.969093  H   
  1   -7.346525   -9.727262    7.787248  H   
  8   -6.921231   -7.691043    3.056929  O   
  1   -6.223373   -8.341972    2.982652  H   
  1   -6.602080   -7.070774    3.712399  H   
  8   -7.434547   -2.630326    6.670382  O   
  1   -7.282178   -1.859555    7.217124  H   
  1   -7.995875   -3.194585    7.202127  H   
  8   -8.783468   -8.132713  -12.366444  O   
  1   -9.424835   -8.747957  -12.010979  H   
  1   -8.812923   -7.384287  -11.770437  H   
  8   -9.571842   -4.409908    7.486871  O   
  1  -10.164028   -3.946969    6.894219  H   
  1  -10.011974   -4.381557    8.336409  H   
  8   -1.516932   -0.257752    3.837400  O   
  1   -2.443076   -0.476421    3.940711  H   
  1   -1.419703   -0.059021    2.906119  H   
  8    9.856058   -0.007609   -5.597841  O   
  1    9.250759    0.570826   -5.133883  H   
  1    9.555098   -0.890849   -5.384437  H   
  8   11.744291   -9.530901  -10.816086  O   
  1   12.406271   -8.878862  -11.045998  H   
  1   11.059046   -9.419897  -11.475136  H   
  8   -0.459217   -6.723176    5.108617  O   
  1   -1.155993   -6.138147    5.406065  H   
  1    0.112896   -6.166090    4.580816  H   
  8   -3.276633   -4.601838  -12.053961  O   
  1   -2.427612   -5.028044  -11.936729  H   
  1   -3.286927   -4.336303  -12.973534  H   
  8    8.889046   -2.624194    1.218428  O   
  1    8.588358   -2.153924    1.996030  H   
  1    8.291683   -2.346389    0.524012  H   
  8   -9.293510   -5.611118  -10.733593  O   
  1   -9.070047   -5.551573   -9.804749  H   
  1   -8.666208   -5.033806  -11.168833  H   
  8  -10.069735   -0.105560    8.992937  O   
  1  -10.290195    0.797376    9.221704  H   
  1   -9.350546   -0.025620    8.366352  H   
  8   -3.695765   -3.306987    7.295002  O   
  1   -3.247678   -2.541181    7.654155  H   
  1   -3.542573   -3.998538    7.938837  H   
  8   -2.252583   -1.178402    7.699857  O   
  1   -2.047307   -0.461179    8.299595  H   
  1   -1.414390   -1.617294    7.554805  H   
  8   -1.133332   -1.503190   10.963551  O   
  1   -1.013878   -1.203568   11.864765  H   
  1   -0.252837   -1.736755   10.669600  H   
  8   -4.693740    0.020875    8.495146  O   
  1   -4.321756    0.845817    8.807123  H   
  1   -4.308416   -0.103316    7.627774  H   
  8   -7.463584  -10.122459    6.073808  O   
  1   -7.330087  -10.774734    5.386098  H   
  1   -7.029486   -9.335123    5.745337  H   
  8  -12.003757   -6.539092   11.011133  O   
  1  -11.848122   -7.425996   10.686464  H   
  1  -11.944284   -6.618171   11.963205  H   
  8    4.143210   -5.794814    6.051130  O   
  1    4.990837   -6.215136    6.196352  H   
  1    3.849140   -6.133475    5.205516  H   
  8    7.623652   -6.814818    3.645895  O   
  1    7.812419   -7.287238    2.835083  H   
  1    7.541142   -7.499976    4.309208  H   
  8    0.685106   -8.648615    0.124212  O   
  1    0.090961   -7.970763    0.446296  H   
  1    1.546352   -8.387556    0.450303  H   
  8    8.739893   -2.749488   11.653557  O   
  1    9.011797   -2.171281   10.940832  H   
  1    7.921673   -3.140167   11.346769  H   
  8    5.815680  -10.702927    5.812994  O   
  1    6.395895  -11.364204    5.435777  H   
  1    5.212951  -11.199911    6.366126  H   
  8    4.544408   -9.026875    4.003665  O   
  1    4.868100   -9.562981    4.727576  H   
  1    4.550906   -9.614605    3.248178  H   
  8    8.392775  -11.863949    3.437603  O   
  1    9.119493  -11.522577    3.958733  H   
  1    7.933443  -12.460838    4.028338  H   
  8   -1.212253   -9.074627    9.346474  O   
  1   -2.147561   -9.267099    9.412718  H   
  1   -0.989761   -8.673208   10.186470  H   
  8    8.865614   -9.372969    1.643542  O   
  1    8.425716  -10.050127    2.157524  H   
  1    8.194403   -8.705473    1.501558  H   
  8    6.723093   -7.139986    9.677645  O   
  1    6.196105   -7.317413   10.456770  H   
  1    7.053703   -6.251320    9.808800  H   
  8    5.721837    3.759079   10.087526  O   
  1    5.491241    2.833649   10.006060  H   
  1    6.448829    3.771352   10.710073  H   
  8   11.280931   -5.093645   -1.161935  O   
  1   10.788410   -5.911963   -1.225268  H   
  1   10.716991   -4.441346   -1.577519  H   
  8    6.492127   -2.501343    2.942276  O   
  1    6.677444   -3.116942    3.651450  H   
  1    6.437172   -1.648368    3.373142  H   
  8   12.017126    0.284367   11.075539  O   
  1   12.544823   -0.490715   11.267937  H   
  1   12.488150    0.726023   10.368921  H   
  8    1.212847   -5.516964    3.320527  O   
  1    1.819689   -4.789286    3.456398  H   
  1    1.748566   -6.206031    2.927559  H   
  8   -1.250047   -8.141573    2.678866  O   
  1   -0.852928   -8.991835    2.867504  H   
  1   -1.129400   -7.636637    3.483052  H   
  8    9.642298   -7.404834   -1.062023  O   
  1    8.967087   -7.347218   -0.386001  H   
  1    9.504873   -8.261627   -1.466066  H   
  8    6.816526   -6.485032    7.035242  O   
  1    6.587765   -6.751109    7.925805  H   
  1    7.470243   -7.125165    6.753964  H   
  8   11.340942   12.351179    1.996611  O   
  1   11.345327   13.081703    1.378106  H   
  1   12.080595   12.525154    2.578743  H   
  8    5.078127   -3.238615   -1.030649  O   
  1    4.765864   -3.006209   -0.156171  H   
  1    4.318873   -3.633341   -1.459552  H   
  8    0.150058   -2.414610    7.210292  O   
  1    0.670473   -1.629156    7.378998  H   
  1    0.037148   -2.428123    6.259871  H   
  8    5.396955    0.124635    0.517708  O   
  1    5.045650    0.980562    0.763078  H   
  1    4.817020   -0.504694    0.946488  H   
  8   -3.831479   -9.366100   -0.722349  O   
  1   -3.176821   -8.730989   -0.432026  H   
  1   -4.059358   -9.854507    0.068702  H   
  8    4.855692   -7.494427   11.933407  O   
  1    5.062467   -8.168587   12.580696  H   
  1    3.899498   -7.450725   11.929487  H   
  8    7.245440   -3.984146    5.290773  O   
  1    7.480194   -4.912084    5.298200  H   
  1    8.046541   -3.531811    5.555089  H   
  8  -10.891153   -5.550676    4.230488  O   
  1  -10.139643   -4.984340    4.055197  H   
  1  -11.530396   -4.977192    4.653237  H   
  8    2.694288   10.189354    3.690331  O   
  1    2.150868   10.807142    3.201182  H   
  1    2.234792    9.353107    3.614262  H   
  8   11.826897   -7.113427    7.558846  O   
  1   12.270548   -7.293731    6.730053  H   
  1   12.468868   -7.344970    8.230034  H   
  8   12.211065   -8.126184   -2.216982  O   
  1   11.400316   -7.716896   -1.914657  H   
  1   12.082024   -8.248291   -3.157551  H   
  8    1.747105  -11.947710    2.080601  O   
  1    1.158666  -11.493393    2.683565  H   
  1    2.336998  -11.265022    1.760917  H   
  8   -9.137346   11.779278    2.459122  O   
  1   -9.726664   12.533413    2.473840  H   
  1   -9.651609   11.080698    2.054458  H   
  8    7.791709   -4.354716   -4.040985  O   
  1    8.358000   -3.778823   -3.527280  H   
  1    8.396221   -4.932097   -4.507276  H   
  8    9.960497   -2.930976    5.593092  O   
  1   10.326483   -2.177037    5.130641  H   
  1   10.267008   -2.831593    6.494427  H   
  8    4.436726  -10.802778    1.945612  O   
  1    4.909121  -10.377762    1.229765  H   
  1    4.843062  -11.666069    2.022103  H   
  8    2.206728  -11.520721    6.768146  O   
  1    2.624197  -10.833717    7.287739  H   
  1    1.338405  -11.622252    7.157938  H   
  8   -0.034447   -7.301027    7.786896  O   
  1   -0.291299   -7.299571    6.864802  H   
  1   -0.629656   -7.926020    8.200830  H   
  8    9.785591   -8.825460    7.839349  O   
  1    9.249674   -9.003839    7.066559  H   
  1   10.479116   -8.246992    7.522132  H   
  8   11.593559   -2.912865    8.137856  O   
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  1   11.111456   -3.718101    8.326012  H   
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  1   -0.062077   -5.767450    8.494585  H   
  8   -8.437084   -9.576103   -2.626500  O   
  1   -8.402302  -10.011755   -1.774896  H   
  1   -7.687872   -9.928278   -3.107007  H   
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  1    4.825636   -3.108675    5.839690  H   
  1    4.448307   -1.768112    5.246050  H   
  8    0.257720  -10.581224  -11.774420  O   
  1    0.409012  -11.468018  -12.101437  H   
  1    0.101190  -10.694597  -10.836935  H   
  8    8.721050   -9.433365   -2.552937  O   
  1    7.969936   -9.946823   -2.255578  H   
  1    8.544746   -9.264032   -3.478397  H   
  8  -11.660515   -3.390290    6.016770  O   
  1  -11.918463   -2.772831    5.332344  H   
  1  -12.142250   -3.103568    6.792626  H   
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  1    2.857773   -9.767725    4.434576  H   
  8    3.946099   11.284800    5.926978  O   
  1    3.351717   10.733667    5.417864  H   
  1    3.420773   12.048977    6.164248  H   
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  1    3.795623   -6.583170    1.797671  H   
  8    4.912251   -6.137124    3.043360  O   
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  1    5.680068   -5.644504    3.333212  H   
  8   -0.220709   -2.686467    4.359432  O   
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  1   -0.792841   -3.358271    3.988519  H   
  8   10.124426   -5.771487    3.878199  O   
  1    9.240839   -6.029041    3.615197  H   
  1   10.082401   -4.818695    3.959765  H   
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  1    2.075093   -5.077356    0.893085  H   
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  1    4.217228   -9.642292    8.875875  H   
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  1   10.172829  -11.051779    5.785266  H   
  1   10.783709   -9.810524    5.170445  H   
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  1    7.393263   -9.658213    6.160527  H   
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  1   10.077871   -5.343297    9.343300  H   
  1   10.238274   -5.798308    7.908332  H   
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  1    5.152939   -2.203329    1.643590  H   
  1    3.712754   -2.245209    2.108358  H   
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  1    6.883646   -7.839007    0.530582  H   
  8    9.999716    1.212972    6.611804  O   
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  1   10.015242    0.418373    6.078321  H   
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  1    9.370323   -0.597113    9.481802  H   
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  1  -11.137730   -2.702467   10.985929  H   
  1  -10.776306   -1.393845   10.316021  H   
  8   10.140049    9.669424    5.380176  O   
  1    9.259014    9.702246    5.752914  H   
  1   10.605408    9.030556    5.920103  H   
  8    7.235632    3.319535    7.659126  O   
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  1    6.637043    3.885467    8.146612  H   
  8  -11.084923    5.111058   10.036974  O   
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  1  -10.432892    5.445951    9.421398  H   
  8   -6.767143   10.001717    0.992438  O   
  1   -5.993392    9.439522    1.030879  H   
  1   -7.125800    9.856834    0.116877  H   
  8  -11.907412    5.009398    3.805171  O   
  1  -12.117971    4.131149    3.488034  H   
  1  -12.664726    5.541030    3.560068  H   
  8   -4.679498    7.323782    3.488700  O   
  1   -4.226050    8.146782    3.306248  H   
  1   -4.162786    6.913740    4.182320  H   
  8   -5.929118    6.004592    9.451311  O   
  1   -6.064416    6.940400    9.302353  H   
  1   -5.313143    5.739456    8.768295  H   
  8    9.196600    1.108764    2.314001  O   
  1    9.079212    1.078135    1.364520  H   
  1    8.342754    1.377794    2.652824  H   
  8   -5.039219    1.750188    0.596662  O   
  1   -4.597700    1.782648    1.445330  H   
  1   -5.456081    2.607486    0.510067  H   
  8  -10.492525    6.608208    6.022337  O   
  1  -11.395363    6.868176    6.205461  H   
  1  -10.534590    6.181223    5.166682  H   
  8   -4.283574    5.708945   -0.741947  O   
  1   -5.061266    5.165312   -0.615897  H   
  1   -3.582046    5.084825   -0.927860  H   
  8   -7.885468    3.274719   10.252949  O   
  1   -7.532465    3.974689   10.802187  H   
  1   -8.741198    3.078740   10.634457  H   
  8   -5.625574   11.997707    3.094754  O   
  1   -5.870087   11.500853    2.313996  H   
  1   -6.321585   11.812048    3.725096  H   
  8   -3.806643    0.109124    5.727783  O   
  1   -3.099520   -0.323157    6.206681  H   
  1   -4.476138   -0.567375    5.626010  H   
  8   -9.060562    7.545519   -2.955093  O   
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  1   -8.489241    6.797515   -3.129198  H   
  8    3.593508    4.472978   11.444649  O   
  1    2.693514    4.175388   11.577625  H   
  1    3.942040    3.889614   10.770527  H   
  8   -8.696728   12.337595    7.079054  O   
  1   -8.498735   11.941587    6.230402  H   
  1   -9.490993   11.891323    7.372678  H   
  8   -9.330225    3.717202    6.317178  O   
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  1  -10.261124    3.555370    6.470376  H   
  8   -6.676610    4.445569    0.056874  O   
  1   -7.584915    4.436119   -0.244998  H   
  1   -6.731607    4.710514    0.975030  H   
  8   -3.107718    6.025180    5.283990  O   
  1   -3.332105    5.203631    4.847023  H   
  1   -2.266057    5.850859    5.705236  H   
  8   -4.170368    3.991603    3.227078  O   
  1   -4.339915    3.632869    4.098167  H   
  1   -5.027462    4.283848    2.916895  H   
  8   -6.802173    4.501452    2.819206  O   
  1   -7.130992    5.109957    3.480894  H   
  1   -7.110074    3.642641    3.108816  H   
  8   -9.173548   10.067095   10.213535  O   
  1   -8.332497    9.627380   10.088972  H   
  1   -8.945414   10.923313   10.575579  H   
  8   -7.911205    9.475399   -1.452244  O   
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  1   -8.366245    8.664679   -1.680063  H   
  8   -2.610280   12.102760    0.664976  O   
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  1   -1.983248   12.271601   -0.038272  H   
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  1   12.256672   -1.024733    0.620063  H   
  8   -6.601967   -0.986173   10.028284  O   
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  1   -5.833416   -0.583852    9.623684  H   
  8   -7.240836    6.563737    4.591440  O   
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  1   -6.348979    6.605953    4.246415  H   
  8   -0.182814    9.071384    2.259593  O   
  1   -0.287603   10.004126    2.447340  H   
  1   -1.003901    8.817711    1.838047  H   
  8   11.187717   -3.267589    2.450406  O   
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  1   11.876415   -3.493418    1.825163  H   
  8   -1.042624    0.880317    9.323284  O   
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  1   -0.835276    0.535885   10.191963  H   
  8  -10.248352    1.719519   -0.782339  O   
  1   -9.355713    1.624021   -0.450215  H   
  1  -10.238922    1.271502   -1.628166  H   
  8  -11.731039    1.506911    1.700994  O   
  1  -11.218216    1.562002    0.894638  H   
  1  -12.235453    0.698524    1.609851  H   
  8   -1.177935    9.165781   -2.195106  O   
  1   -1.547918    8.824642   -3.009335  H   
  1   -1.013717   10.091393   -2.375403  H   
  8   -3.601814    7.177291    8.424738  O   
  1   -3.134630    7.954240    8.117620  H   
  1   -3.224221    6.994691    9.285152  H   
  8   -4.662814    3.089483    5.811965  O   
  1   -5.571848    3.007748    6.100423  H   
  1   -4.284569    2.223098    5.962099  H   
  8  -11.164433    0.995849    6.063910  O   
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  1  -11.223547    0.464925    5.269645  H   
  8   -7.033919    8.638676    9.613863  O   
  1   -6.293694    9.059301   10.051323  H   
  1   -6.787322    8.620291    8.689156  H   
  8    1.556967   -0.253745    7.409104  O   
  1    1.425366    0.261773    6.613395  H   
  1    1.312315    0.337294    8.121178  H   
  8   -3.762115    4.541751    7.870038  O   
  1   -3.822012    5.485493    7.721727  H   
  1   -4.205550    4.151808    7.116683  H   
  8   -4.915555    3.069693   11.974581  O   
  1   -5.593143    2.400267   11.879837  H   
  1   -4.710533    3.072997   12.909561  H   
  8   -9.103624    8.844149    6.600399  O   
  1   -9.566908    8.010847    6.515494  H   
  1   -8.257242    8.610430    6.981508  H   
  8   -6.235404   -1.546183  -10.816854  O   
  1   -6.936728   -1.420654  -11.456087  H   
  1   -5.429524   -1.407601  -11.314434  H   
  8   -2.471920    9.054359    0.452527  O   
  1   -3.420539    8.957230    0.369339  H   
  1   -2.144608    8.991175   -0.444750  H   
  8    1.307472    7.839474   10.902649  O   
  1    1.166090    6.996785   11.334064  H   
  1    1.834273    7.628985   10.131670  H   
  8   -6.432293    8.730387    6.291566  O   
  1   -5.526223    8.949139    6.509317  H   
  1   -6.370014    7.911108    5.800512  H   
  8   -5.130641   -2.281755    5.068460  O   
  1   -4.503153   -2.833351    5.535615  H   
  1   -5.962731   -2.431871    5.517149  H   
  8   11.693499    8.811611    3.051437  O   
  1   12.525465    9.240635    3.251441  H   
  1   11.090927    9.131729    3.722751  H   
  8   -4.385147   12.426525    6.136684  O   
  1   -3.923434   11.757910    6.642656  H   
  1   -5.055154   11.942274    5.654165  H   
  8    9.915501    9.962023    1.072032  O   
  1    9.875748   10.829126    1.475492  H   
  1   10.351751    9.413679    1.724135  H   
  8    1.509228    7.460369    1.075433  O   
  1    1.064963    6.612525    1.080143  H   
  1    0.869758    8.068448    1.446311  H   
  8  -10.060150   11.234406   -0.939617  O   
  1  -10.782900   11.448517   -1.529549  H   
  1   -9.788048   12.077663   -0.577531  H   
  8  -10.853773    9.858732  -12.109505  O   
  1  -10.404202    9.553921  -12.897673  H   
  1  -10.162292   10.247938  -11.574150  H   
  8   -1.179636    4.714010    7.179511  O   
  1   -1.122610    3.973009    6.576271  H   
  1   -1.905543    4.493116    7.763031  H   
  8   -6.865041    2.625138    7.364268  O   
  1   -6.801958    3.014197    8.236557  H   
  1   -7.658240    3.006676    6.988110  H   
  8   -9.631746    6.863921    1.204569  O   
  1   -9.146885    7.381525    1.847397  H   
  1   -9.321854    5.967728    1.335090  H   
  8   -0.360287  -11.372410    8.034315  O   
  1   -0.903030  -11.156151    7.276096  H   
  1   -0.421517  -10.603079    8.600540  H   
  8   -7.626040   11.160961    4.958255  O   
  1   -7.640666   10.282177    5.337409  H   
  1   -8.033968   11.058187    4.098452  H   
  8   -8.231386    2.085912    3.821633  O   
  1   -8.510244    1.244415    3.460590  H   
  1   -8.886984    2.290016    4.488541  H   
  8   -2.013466  -11.059366    5.775994  O   
  1   -2.752738  -11.498182    6.196885  H   
  1   -2.269854  -10.137819    5.740674  H   
  8   -1.508744    8.822817   10.120630  O   
  1   -0.625802    8.744616   10.481915  H   
  1   -1.372273    9.028566    9.195818  H   
  8   -0.453660  -10.637045    3.501729  O   
  1    0.278480  -10.160660    3.893215  H   
  1   -1.011864  -10.870813    4.243343  H   
  8   -7.491854   -1.486862    2.072877  O   
  1   -6.738988   -1.928106    1.679521  H   
  1   -8.248192   -1.837295    1.602366  H   
  8   -3.945065    9.334236    5.968833  O   
  1   -3.752730    9.425396    5.035597  H   
  1   -3.094301    9.165764    6.373863  H   
  8   -1.463452    2.460174    4.976821  O   
  1   -1.647375    1.522517    5.033426  H   
  1   -1.562822    2.668577    4.047884  H   
  8    2.578203    8.833153   -0.982671  O   
  1    2.172341    8.316488   -0.286563  H   
  1    2.079144    8.610847   -1.768644  H   
  8    0.627084    4.540394    1.451415  O   
  1   -0.121822    3.956733    1.572702  H   
  1    1.339136    4.120636    1.934135  H   
  8    9.159105   10.729462    8.685656  O   
  1    9.128698   10.913942    9.624418  H   
  1    8.252630   10.531343    8.450529  H   
  8    8.544825    0.839334    9.131989  O   
  1    8.867426    1.680083    9.456493  H   
  1    7.652493    0.776992    9.472708  H   
  8    6.250744   -0.326863    4.799492  O   
  1    5.907937   -0.035302    5.644304  H   
  1    6.326622    0.474647    4.281752  H   
  8    8.388582   -1.180274   -1.216218  O   
  1    8.424219   -0.294371   -0.855473  H   
  1    7.571596   -1.203839   -1.714423  H   
  8    3.452379    2.104289   10.263645  O   
  1    2.789603    1.444409   10.467402  H   
  1    3.441221    2.168742    9.308681  H   
  8    6.563396    2.376563    2.994604  O   
  1    6.747110    2.922922    3.758785  H   
  1    7.147848    2.711061    2.314340  H   
  8   -8.272675    5.654301    7.818430  O   
  1   -7.907885    6.169572    8.537914  H   
  1   -8.457479    6.296388    7.133008  H   
  8    3.164232    5.163404    4.484964  O   
  1    2.340904    5.557508    4.773139  H   
  1    3.467855    5.732163    3.777462  H   
  8   10.775724    6.285037    2.587885  O   
  1   10.993990    7.176639    2.859247  H   
  1    9.821997    6.240170    2.655888  H   
  8    3.772970    6.548788    2.243827  O   
  1    3.069508    7.041833    1.821598  H   
  1    4.521182    7.145766    2.238413  H   
  8  -10.540564  -10.090866    6.116653  O   
  1  -10.568541   -9.134529    6.146104  H   
  1   -9.617693  -10.308128    6.248320  H   
  8   -4.004998    2.385183    9.548243  O   
  1   -4.020195    2.622441   10.475447  H   
  1   -4.061299    3.221274    9.085627  H   
  8   -1.950390    2.849438    2.212253  O   
  1   -2.744606    3.259394    2.554873  H   
  1   -2.264257    2.085779    1.727955  H   
  8   10.441290    6.685505    6.172693  O   
  1   10.289352    6.489987    7.097311  H   
  1   10.285385    5.855014    5.723016  H   
  8    8.858208    2.197495  -10.507231  O   
  1    9.457428    2.246140  -11.252081  H   
  1    9.001415    3.014927  -10.030231  H   
  8    4.407435    5.224655    7.435929  O   
  1    4.003386    4.410812    7.736989  H   
  1    4.698431    5.032675    6.544471  H   
  8    0.093197    5.771225   -3.090490  O   
  1    0.814622    5.339198   -2.633181  H   
  1   -0.095699    5.199703   -3.834743  H   
  8    1.562283   10.161242   12.244804  O   
  1    1.712038    9.225067   12.112961  H   
  1    2.016328   10.582066   11.514748  H   
  8    2.360542   11.737135   -0.685812  O   
  1    2.384114   10.826946   -0.981164  H   
  1    2.657396   11.702131    0.223520  H   
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  1    6.153542   11.206673    5.709207  H   
  1    7.315187   11.923466    6.363945  H   
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  1    7.665264   -0.780417  -11.412157  H   
  8    3.187651    2.640551    7.579808  O   
  1    2.554506    2.675251    6.862762  H   
  1    3.914155    2.122323    7.233596  H   
  8  -12.410620    9.270929    6.816658  O   
  1  -12.030567    9.063696    5.962934  H   
  1  -11.776098    9.859686    7.225288  H   
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  1    5.146400    0.754709    7.718473  H   
  1    6.340686    1.582390    7.293599  H   
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  1  -10.928656    3.269669   12.493587  H   
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  1    5.516550    0.892294   -1.335031  H   
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  1    1.216022    7.074184   -6.555793  H   
  1    2.500118    7.145590   -5.757108  H   
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  1  -11.619057    2.641011    5.962308  H   
  8   -8.398132    8.470409    2.978784  O   
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  1   -7.991224    8.985870    2.282395  H   
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  1  -11.380207  -11.598743   10.471647  H   
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  1    4.025271    9.182058   -1.910307  H   
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  1   10.091055   -0.021105    3.396147  H   
  1   11.458216   -0.524632    3.807520  H   
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  1   -7.366983    0.988351    7.372931  H   
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  1   10.217335    9.303082    9.062403  H   
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  1    5.536188    6.665541    8.334352  H   
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  1    7.320689    3.575685    5.947667  H   
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  1    6.464581    7.073938   11.738443  H   
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  1    1.806044   -0.776102   10.404926  H   
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  1    7.578934    7.132734    2.208570  H   
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  1   11.157162   13.048912    9.672401  H   
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  1    4.702465   -1.409207    9.493656  H   
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  1    1.860687    2.219636    4.616921  H   
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  1    2.664294    3.698434    3.565471  H   
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  1    8.219929  -11.953077    8.450066  H   
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  1    5.087484    9.699127    8.323254  H   
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  1   10.636023   11.801989    7.714062  H   
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  1    0.195675  -10.473164   -0.024413  H   
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  1   -0.010413    6.303761    6.993781  H   
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  1   10.828684    3.645045    4.609257  H   
  8    9.348951    3.328994    9.763651  O   
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  1   10.032839    3.718436    9.218798  H   
  8   -2.257346   -9.519642   -2.869780  O   
  1   -2.031126   -8.601093   -3.015813  H   
  1   -2.855186   -9.503672   -2.122408  H   
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  1    6.391379   -9.096079    8.721636  H   
  8    5.811480    6.211573    5.323274  O   
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  1    4.924674    6.012809    5.022772  H   
  8    4.215919    2.480541    1.272305  O   
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  1    4.448170    3.305025    0.845085  H   
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  1    8.692062    7.585349    5.902752  H   
  8    2.478807   11.372652   10.067371  O   
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  1    3.133047   10.991924    9.481495  H   
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  1  -10.103411    9.222191    5.205666  H   
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  1    5.117969    0.783374   -9.538040  H   
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  1    6.625245    8.117931    8.497643  H   
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  1   11.658358  -10.679050   -3.771415  H   
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  1   -4.540701   -4.669762   -9.306696  H   
  8   -7.180441   -3.760920   -3.162579  O   
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  1   -7.437594   -4.333209   -3.885483  H   
  8   -4.394186    0.168358   -4.194067  O   
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  1   -5.243354   -0.120762   -4.528067  H   
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  1   -5.989624  -10.489941   -6.908051  H   
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  1   -9.600277  -11.472269   -3.327828  H   
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  1   -5.707229   11.450151  -11.266621  H   
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  1   10.748650   -9.949459   -6.992751  H   
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  1   -5.272799   -7.495948    7.201045  H   
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  1   -5.356822   -5.955891   -1.475467  H   
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  1   11.369461   -2.254394  -10.331446  H   
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  1    1.109235   -7.024590   -6.418314  H   
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  1  -12.483063   -6.483059  -10.752604  H   
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  1   -8.581579   -0.183421    5.423914  H   
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  1    9.873922   -7.486481   -7.868908  H   
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  1   11.751974    9.793236   -0.207643  H   
  8   -5.791372  -11.351557   -9.114611  O   
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  1   -5.584486  -10.543262   -9.583748  H   
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  1   -6.208762   -2.392215   -5.571857  H   
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  1   -4.233546   -7.064844   -7.244887  H   
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  1   -8.090624   -4.326419   -8.147131  H   
  8   -7.883902    4.922140   -3.751695  O   
  1   -6.999124    4.568605   -3.659979  H   
  1   -7.858468    5.424251   -4.566232  H   
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  1   -8.561344   -2.183603   -9.205528  H   
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  1   -6.925424   -6.800159    9.521193  H   
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  1  -12.021343  -10.901360  -11.256353  H   
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  1  -10.425848   -4.241538   -6.069495  H   
  8   -5.430703   -3.727090   -7.981833  O   
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  1   -6.282722   -3.305823   -8.095100  H   
  8   -3.120316   -2.216453   -7.645430  O   
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  1   -3.996753   -2.541993   -7.850643  H   
  8   -8.659962  -11.909786   -6.889272  O   
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  1   -8.075342  -11.167032   -6.738389  H   
  8   -8.868565   -7.497846   -4.569327  O   
  1   -8.628090   -8.132912   -3.894721  H   
  1   -9.483589   -7.967486   -5.132724  H   
  8    2.188422   -7.131665   11.121906  O   
  1    2.035181   -6.190417   11.204369  H   
  1    2.348164   -7.267895   10.188013  H   
  8   -9.512297   -9.871052   -8.709402  O   
  1   -8.955801   -9.113310   -8.529480  H   
  1   -9.488941  -10.383284   -7.901131  H   
  8   -0.787291  -10.916641   -4.973343  O   
  1   -1.066128  -10.628069   -4.104316  H   
  1    0.137852  -11.138205   -4.867266  H   
  8   -0.302868   -6.458508  -10.515593  O   
  1    0.187992   -5.640045  -10.589109  H   
  1   -0.201235   -6.876917  -11.370483  H   
  8   -2.958411   -2.267426   -3.966451  O   
  1   -3.437349   -2.659581   -4.696564  H   
  1   -3.332856   -1.391068   -3.876899  H   
  8    2.935084  -10.098064  -11.279816  O   
  1    2.006375   -9.960548  -11.466415  H   
  1    2.943656  -10.640963  -10.491514  H   
  8   -6.162157  -10.249426   -3.726187  O   
  1   -5.338184  -10.736057   -3.703995  H   
  1   -6.499361  -10.388691   -4.611134  H   
  8  -10.382200   -4.201766   -4.114267  O   
  1  -10.411018   -4.994419   -3.578449  H   
  1  -10.163494   -3.503079   -3.497633  H   
  8   -1.251408   11.914095   -2.522530  O   
  1   -0.844297   12.713917   -2.189701  H   
  1   -2.151761   12.169024   -2.724046  H   
  8   -1.450202   -6.980503   -2.740887  O   
  1   -1.604622   -7.122612   -1.806975  H   
  1   -0.499099   -6.905233   -2.818141  H   
  8   -7.155252   -5.546957   -5.395450  O   
  1   -7.467028   -6.392128   -5.071855  H   
  1   -6.209324   -5.659841   -5.488789  H   
  8    0.026923   11.025541    8.193022  O   
  1    0.871080   10.970127    8.640862  H   
  1   -0.170429   11.961840    8.167933  H   
  8  -10.262157   -6.338464   -2.506266  O   
  1   -9.696497   -6.834774   -3.097819  H   
  1  -11.087217   -6.823713   -2.499762  H   
  8  -10.166262    9.780325    1.317044  O   
  1  -10.172140    8.848074    1.100010  H   
  1  -10.050316   10.221869    0.475720  H   
  8   -0.455669   -8.264282   11.777090  O   
  1    0.469817   -8.113886   11.584505  H   
  1   -0.473097   -9.109440   12.226130  H   
  8  -10.494982   -9.025110   -6.046847  O   
  1  -10.340809   -8.948141   -6.988409  H   
  1  -10.596607   -9.964924   -5.896340  H   
  8   -5.209787   -8.387022  -10.224195  O   
  1   -4.716041   -7.568403  -10.176147  H   
  1   -5.242140   -8.593292  -11.158346  H   
  8  -10.569355   -2.538050   -9.206585  O   
  1  -11.143686   -2.867548   -9.897821  H   
  1  -10.771753   -3.083164   -8.446245  H   
  8   -6.989855   -0.323260   -6.360369  O   
  1   -7.140687   -0.774381   -7.191013  H   
  1   -7.639773    0.379357   -6.347394  H   
  8   12.163971   -5.957611   -7.508954  O   
  1   12.933735   -5.442592   -7.267188  H   
  1   11.422562   -5.451457   -7.176756  H   
  8   -2.615706    0.280620   -8.471069  O   
  1   -2.635627    0.893559   -7.736126  H   
  1   -2.862987   -0.561149   -8.088303  H   
  8   -9.559395   -0.045237   -8.297495  O   
  1   -9.601103    0.380521   -9.153778  H   
  1  -10.171080   -0.778483   -8.364010  H   
  8  -11.192741   -8.908104    0.002595  O   
  1  -11.701315   -8.933592   -0.807919  H   
  1  -11.479065   -8.106533    0.440469  H   
  8   -1.787207   -9.978354   -7.267895  O   
  1   -1.228428  -10.274841   -7.986290  H   
  1   -1.279173  -10.161198   -6.477515  H   
  8   -7.071887   -6.084198    0.830379  O   
  1   -6.941997   -6.830991    0.245862  H   
  1   -6.896237   -6.430753    1.705180  H   
  8   10.824455    2.799147   12.068539  O   
  1   11.648535    3.211887   12.326933  H   
  1   11.061735    1.893435   11.869503  H   
  8   -0.404135   -7.417917   -7.345377  O   
  1   -0.199327   -7.536666   -8.272840  H   
  1   -0.888516   -8.207312   -7.103589  H   
  8   -8.799162   -1.280738  -12.334583  O   
  1   -9.700346   -1.400303  -12.634258  H   
  1   -8.428162   -0.638696  -12.939869  H   
  8   -7.410617   -7.758039   -8.658283  O   
  1   -7.475823   -6.804380   -8.708422  H   
  1   -6.709082   -7.983078   -9.269377  H   
  8   -7.343501   -3.962902  -12.115181  O   
  1   -6.692753   -3.355680  -11.762985  H   
  1   -7.856229   -3.436139  -12.728256  H   
  8   -8.763523    1.741299   -6.424094  O   
  1   -8.139553    2.358833   -6.805599  H   
  1   -9.071062    1.221348   -7.166592  H   
  8   -4.211206  -11.357729   -6.889698  O   
  1   -3.423903  -10.947382   -7.247469  H   
  1   -4.728366  -11.596107   -7.659082  H   
  8   -6.254979   -1.056353   -1.444729  O   
  1   -6.646708   -0.781443   -2.273707  H   
  1   -6.620833   -0.455602   -0.795514  H   
  8    6.917850  -11.659389   -9.076637  O   
  1    7.637229  -11.978651   -8.531849  H   
  1    6.340293  -11.200445   -8.466694  H   
  8    5.009070   -2.872820   -9.207806  O   
  1    4.762517   -2.183176   -9.824114  H   
  1    5.302708   -2.403246   -8.427095  H   
  8   -1.321308   -4.709180   -7.167243  O   
  1   -1.163110   -5.637840   -7.336933  H   
  1   -0.883473   -4.539649   -6.333103  H   
  8    6.095516   -6.414252   -2.942716  O   
  1    6.174983   -5.485546   -3.160479  H   
  1    6.998799   -6.717353   -2.850847  H   
  8    1.171692   -6.482213   -3.433925  O   
  1    1.725203   -5.809683   -3.036988  H   
  1    1.458789   -6.521632   -4.346204  H   
  8    5.505268   -9.371868  -10.725933  O   
  1    5.398197   -9.165255   -9.797451  H   
  1    4.645661   -9.690130  -11.001648  H   
  8   11.832279   11.416054  -12.453911  O   
  1   12.403589   10.665133  -12.292807  H   
  1   11.040949   11.037691  -12.837151  H   
  8    3.546901   -4.829549  -10.096912  O   
  1    3.827209   -4.012550   -9.684393  H   
  1    4.360109   -5.244454  -10.384626  H   
  8    6.926969   -4.460160   10.058489  O   
  1    6.946440   -4.586559    9.109871  H   
  1    6.227182   -3.822886   10.201370  H   
  8    3.778779   -7.652684   -1.590732  O   
  1    3.272418   -8.333885   -2.033220  H   
  1    4.386158   -7.333436   -2.258116  H   
  8    1.101771   -2.670392   -8.383818  O   
  1    0.791341   -1.764930   -8.385780  H   
  1    0.332884   -3.187176   -8.143030  H   
  8    8.039244   -2.315989  -10.301228  O   
  1    8.139284   -2.598281  -11.210367  H   
  1    7.096362   -2.353591  -10.140631  H   
  8    3.467145   -3.518958    8.275944  O   
  1    3.632155   -4.430757    8.035887  H   
  1    3.614559   -3.027584    7.467826  H   
  8  -10.311581    0.943999   -3.423318  O   
  1   -9.451607    0.754349   -3.798432  H   
  1  -10.728804    1.523738   -4.060544  H   
  8    2.613905   -4.149999   -2.174576  O   
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  1    2.131767   -3.499342   -2.684889  H   
  8    3.881689   -9.663065   -3.869327  O   
  1    3.065799  -10.157766   -3.792983  H   
  1    4.483947  -10.098949   -3.266399  H   
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  1    9.237148   -6.441623  -12.230484  H   
  1    9.811287   -5.460351  -11.230801  H   
  8    6.665589  -10.843023   -1.628229  O   
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  1    7.042283  -11.446470   -0.987770  H   
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  1    8.851564   -8.414158  -10.964275  H   
  8    2.376144   -2.515457   -5.552439  O   
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  1    2.348222   -2.472644   -6.508273  H   
  8    6.053211    0.880134   10.514124  O   
  1    5.130035    0.659516   10.390396  H   
  1    6.254072    0.583136   11.401636  H   
  8   12.160881    0.804100  -10.021364  O   
  1   12.101679   -0.137089  -10.185347  H   
  1   11.556496    0.959737   -9.295603  H   
  8    0.419340  -11.278603   -9.186661  O   
  1    1.336161  -11.522236   -9.058939  H   
  1   -0.040660  -12.113316   -9.275469  H   
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  1    6.015122   -9.465954   -0.608385  H   
  1    4.872641   -8.520155   -0.304912  H   
  8    6.546672   -6.312434   -6.392911  O   
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  1    6.398476   -6.344584   -7.338023  H   
  8    8.519623   -2.395346   -5.597691  O   
  1    9.083267   -2.798632   -6.257916  H   
  1    8.157930   -3.133693   -5.107534  H   
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  1    1.904552   -7.502025    7.859540  H   
  1    2.970052   -6.495065    7.481872  H   
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  1    9.972429  -10.793829   -2.642300  H   
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  1    5.643064   -6.388595  -11.626148  H   
  1    6.942990   -5.903065  -11.020885  H   
  8    2.012054   -4.349933   12.231667  O   
  1    2.711787   -4.446751   12.877602  H   
  1    1.446611   -3.666298   12.591040  H   
  8   11.462788   -8.442255   -8.094640  O   
  1   11.834484   -7.564459   -8.007772  H   
  1   11.650831   -8.694105   -8.998764  H   
  8   11.122274   -3.754550   11.419157  O   
  1   11.234022   -4.699191   11.312401  H   
  1   10.185263   -3.640139   11.577749  H   
  8    9.513054   -5.874436   -5.372411  O   
  1    9.207806   -6.249467   -6.198491  H   
  1   10.167534   -6.496100   -5.053943  H   
  8    1.431800   -2.642386   10.107611  O   
  1    1.790177   -3.230846   10.772076  H   
  1    1.007411   -3.223360    9.476267  H   
  8    5.876088   12.534788   -3.812278  O   
  1    6.441179   11.852583   -4.174908  H   
  1    4.986491   12.222673   -3.977911  H   
  8    7.014393   10.923899   -5.486495  O   
  1    7.575251   11.190491   -6.214918  H   
  1    7.125454    9.974669   -5.433025  H   
  8    7.896399   -8.883751   -5.026947  O   
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  1    8.142527   -8.131365   -5.565061  H   
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  1    5.037764   -9.595818   -7.004447  H   
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  1    8.706612  -10.782116    9.762262  H   
  8    1.428342   -9.049164   -2.469359  O   
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  1    1.219869   -8.980309   -1.537678  H   
  8   -1.150057   11.080078    3.708342  O   
  1   -1.151765   11.400957    4.610155  H   
  1   -1.191630   11.871716    3.171860  H   
  8    4.885344   -2.724743   10.719219  O   
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  1    4.598207   -2.571988   11.619469  H   
  8   -7.902504   -0.592452   -3.833143  O   
  1   -7.767240   -0.670218   -4.777542  H   
  1   -7.569673    0.277826   -3.613894  H   
  8    6.759568  -12.171167    0.857897  O   
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  1    7.513007  -12.227839    1.445562  H   
  8    7.361548  -10.423553   11.238384  O   
  1    6.981297  -11.199282   11.650555  H   
  1    7.575283   -9.843773   11.969414  H   
  8    0.029771   -3.745329   -5.066948  O   
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  1   -0.160867   -4.293833   -4.306007  H   
  8    6.285332   -1.490659   -3.092977  O   
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  1    6.036582   -0.569081   -3.021916  H   
  8   -1.058311   -1.003746   -5.604369  O   
  1   -1.476066   -1.152449   -6.452662  H   
  1   -1.376990   -1.717242   -5.051558  H   
  8   10.361336   -1.919628   -8.900776  O   
  1    9.524696   -2.077129   -9.338337  H   
  1   10.305071   -2.421409   -8.087584  H   
  8   -1.662987   -4.190910   -2.219746  O   
  1   -1.847095   -5.024337   -2.653028  H   
  1   -2.083984   -3.534006   -2.774246  H   
  8   -2.131028   -7.416951    0.012641  O   
  1   -2.302329   -6.476518    0.062369  H   
  1   -1.974126   -7.680582    0.919345  H   
  8    3.792007   -5.283082   -7.109637  O   
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  1    4.658387   -4.887612   -7.013608  H   
  8    4.479216   -8.075483   -6.063346  O   
  1    4.301304   -8.496981   -5.222560  H   
  1    3.648803   -7.666693   -6.307345  H   
  8    0.322287   -3.071321  -10.989111  O   
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  1    0.624305   -3.057015  -10.080921  H   
  8   10.324905   -3.700570   -6.822371  O   
  1    9.910278   -4.438236   -6.374974  H   
  1   10.987188   -3.387682   -6.206161  H   
  8    1.209705    0.089173   -4.519081  O   
  1    1.693341   -0.583026   -4.999161  H   
  1    0.312709    0.018800   -4.845691  H   
  8    5.149417   -3.366800   -4.926105  O   
  1    5.453184   -2.681897   -4.330400  H   
  1    5.835764   -4.033297   -4.895418  H   
  8    6.174835   -1.805347   -6.943055  O   
  1    5.919947   -2.347195   -6.196285  H   
  1    7.130951   -1.779504   -6.905573  H   
  8    8.569469    1.530970   -0.396002  O   
  1    9.484461    1.596333   -0.669405  H   
  1    8.163267    2.333511   -0.723357  H   
  8   10.289858    3.991164   -4.603825  O   
  1    9.396397    4.332679   -4.567404  H   
  1   10.319727    3.323584   -3.918496  H   
  8  -11.652479    7.786662  -10.171402  O   
  1  -11.586977    8.569143  -10.718817  H   
  1  -12.469336    7.369712  -10.445499  H   
  8    7.630531   -4.688534   -0.380085  O   
  1    6.781295   -4.310376   -0.608178  H   
  1    7.976531   -4.109394    0.298969  H   
  8   -8.643122   10.651903  -10.929766  O   
  1   -8.412327   11.580828  -10.921829  H   
  1   -8.959679   10.475691  -10.043779  H   
  8   -2.900980    6.840807  -11.447113  O   
  1   -2.307204    7.475962  -11.046812  H   
  1   -3.549021    6.656448  -10.767197  H   
  8   -5.886746    9.221703   -3.539647  O   
  1   -6.498896    9.369463   -2.818763  H   
  1   -5.671212    8.290720   -3.484457  H   
  8   -4.950676    7.667919    0.898200  O   
  1   -4.843995    7.424072    1.817651  H   
  1   -4.741393    6.870099    0.412488  H   
  8   -4.139580    9.328772   -8.667747  O   
  1   -4.751565    9.307158   -9.403435  H   
  1   -4.315139    8.520653   -8.185717  H   
  8   11.533764    4.417333   -7.285407  O   
  1   11.414503    4.047511   -6.410626  H   
  1   11.975882    5.252796   -7.134530  H   
  8   -6.429039    1.644097  -10.025846  O   
  1   -5.624538    1.130549   -9.953186  H   
  1   -7.031825    1.078775  -10.508848  H   
  8  -10.968941    5.382143   -5.496922  O   
  1  -10.903412    5.755598   -6.375823  H   
  1  -10.162220    5.654583   -5.059646  H   
  8   -4.366715    9.669250   10.177774  O   
  1   -3.490726    9.287291   10.232359  H   
  1   -4.214259   10.589798    9.964268  H   
  8   -2.307554    8.168627   -4.477249  O   
  1   -2.696781    9.035875   -4.364946  H   
  1   -2.933014    7.570143   -4.068779  H   
  8    8.804756   12.061268   -7.638739  O   
  1    9.376051   11.883753   -8.385960  H   
  1    9.236910   12.775648   -7.170618  H   
  8    4.638375    7.174547   12.316219  O   
  1    4.182429    7.225039   13.156336  H   
  1    4.131584    6.543075   11.805693  H   
  8   -6.231452    9.519602  -10.717396  O   
  1   -7.120296    9.803232  -10.503517  H   
  1   -6.344827    8.659670  -11.122232  H   
  8    3.410481   11.275011   -4.109610  O   
  1    2.714783   11.719217   -3.624930  H   
  1    3.949060   10.863743   -3.433575  H   
  8  -11.352739    6.428309   -1.661913  O   
  1  -12.106485    6.296037   -2.236894  H   
  1  -11.605413    7.160575   -1.099619  H   
  8   11.452587    6.437724   11.221342  O   
  1   11.200012    6.695333   10.334732  H   
  1   12.339466    6.090241   11.126822  H   
  8   -2.060157    6.123124   -7.970642  O   
  1   -1.304858    5.577787   -8.190565  H   
  1   -1.706962    6.801349   -7.394885  H   
  8   -4.231905    4.061234   -7.043321  O   
  1   -3.728796    3.251922   -6.953166  H   
  1   -3.582804    4.721557   -7.285964  H   
  8   -4.571094    6.795835   -3.204021  O   
  1   -4.341137    6.588416   -2.298300  H   
  1   -4.656607    5.943489   -3.631133  H   
  8   -7.328893    7.229364  -11.662838  O   
  1   -7.177979    6.435661  -12.176153  H   
  1   -8.246038    7.171231  -11.395075  H   
  8   -6.419856   -8.355055   -1.170978  O   
  1   -5.530182   -8.643400   -0.967089  H   
  1   -6.575885   -8.669489   -2.061492  H   
  8   -6.690098   12.226509    8.869835  O   
  1   -7.313651   12.309969    8.148413  H   
  1   -7.205224   12.412094    9.654968  H   
  8   -3.622088   10.018139    3.457039  O   
  1   -2.729764   10.361586    3.411960  H   
  1   -4.180071   10.795397    3.429538  H   
  8  -11.399725    3.026641   -8.668085  O   
  1  -11.941555    3.297259   -7.926857  H   
  1  -11.634071    2.110230   -8.814726  H   
  8   -4.298830    2.301324   -2.121559  O   
  1   -4.169922    2.100583   -1.194565  H   
  1   -3.555511    2.858626   -2.352046  H   
  8   -8.095186    8.959084   -5.205921  O   
  1   -7.284941    8.984955   -4.696935  H   
  1   -8.791256    8.953419   -4.548892  H   
  8   -1.850608    8.262566   -9.545462  O   
  1   -2.509436    8.811121   -9.119711  H   
  1   -1.893171    7.428993   -9.076870  H   
  8   -7.010110    3.378224   -8.095026  O   
  1   -6.187159    3.556982   -7.640023  H   
  1   -6.759696    2.826486   -8.836046  H   
  8    0.846705    4.167332   -6.986117  O   
  1    1.405851    4.774140   -6.500967  H   
  1    0.528674    4.677400   -7.731047  H   
  8   -9.666368    0.595367  -10.938225  O   
  1  -10.553083    0.316332  -10.709953  H   
  1   -9.281044   -0.163796  -11.375751  H   
  8  -11.025068    2.418613   -5.426321  O   
  1  -10.193491    2.108140   -5.784538  H   
  1  -10.869850    3.341319   -5.224444  H   
  8   -2.052238    0.523717  -11.648457  O   
  1   -2.757390    1.125003  -11.888142  H   
  1   -2.181626    0.362496  -10.713846  H   
  8   -0.563384    8.021688   -6.713263  O   
  1   -0.967591    8.037682   -5.845742  H   
  1   -0.084386    8.848465   -6.770121  H   
  8    1.698338    8.341923   -3.560903  O   
  1    1.106580    7.680423   -3.202470  H   
  1    1.169698    9.138739   -3.604002  H   
  8   -6.559530    5.017110   11.767607  O   
  1   -5.863677    4.373020   11.898630  H   
  1   -6.343233    5.438205   10.935665  H   
  8   -9.212461    5.021436   -8.341612  O   
  1   -9.916628    4.388086   -8.202871  H   
  1   -8.408264    4.515343   -8.225998  H   
  8   11.156975    1.769789   -1.419596  O   
  1   11.090683    1.120432   -2.119719  H   
  1   12.051620    2.103635   -1.485836  H   
  8   -5.441306    3.768402   -4.371636  O   
  1   -4.749043    3.832361   -5.029599  H   
  1   -5.048617    3.265306   -3.658249  H   
  8    0.834437    7.835425   -9.679304  O   
  1    1.163972    8.726702   -9.564140  H   
  1   -0.091099    7.889114   -9.441120  H   
  8   -9.898352    4.330846   -0.105537  O   
  1  -10.572872    4.980164   -0.304637  H   
  1  -10.272369    3.499248   -0.396720  H   
  8   -6.858284    1.116157   11.560314  O   
  1   -6.602092    0.354195   11.040688  H   
  1   -7.242155    1.721311   10.925755  H   
  8   12.177332    7.102906   -7.629033  O   
  1   12.555780    7.248038   -8.496181  H   
  1   11.271179    7.400562   -7.709779  H   
  8   10.746399    4.418539    0.671435  O   
  1   10.982088    3.580597    1.069599  H   
  1   11.050835    5.075697    1.297289  H   
  8   -2.182033    6.351472   10.714769  O   
  1   -2.621007    6.443095   11.560427  H   
  1   -1.905465    7.239961   10.490429  H   
  8    0.992192   11.243622   -7.202478  O   
  1    1.615767   10.517702   -7.181890  H   
  1    0.461958   11.126949   -6.414145  H   
  8   -7.075162    1.928902   -3.079080  O   
  1   -6.485588    2.351739   -2.454707  H   
  1   -7.287930    2.615564   -3.711106  H   
  8   -9.886959    5.862711  -10.902838  O   
  1   -9.609638    5.458141  -10.080860  H   
  1  -10.529243    6.522343  -10.640945  H   
  8   -7.995870    6.285160   -6.044490  O   
  1   -8.192137    7.186507   -5.788983  H   
  1   -8.457096    6.165187   -6.874616  H   
  8   -9.248898   10.321154   -8.138647  O   
  1   -8.748768    9.802519   -7.508473  H   
  1   -9.149134   11.224670   -7.838755  H   
  8  -11.953888    3.986163  -11.287964  O   
  1  -11.441475    4.793779  -11.250294  H   
  1  -11.822035    3.578152  -10.432175  H   
  8    3.502034    7.414169  -10.117958  O   
  1    2.572745    7.603010  -10.248310  H   
  1    3.718184    7.835579   -9.286137  H   
  8  -11.703979   11.753220   -9.041693  O   
  1  -10.969856   11.233334   -8.714563  H   
  1  -11.330048   12.277462   -9.749914  H   
  8   11.129850    2.767727    3.036330  O   
  1   10.444092    2.107990    2.932819  H   
  1   11.867590    2.428619    2.529400  H   
  8    0.399155    5.001900   -9.620796  O   
  1    1.075225    4.408770   -9.948450  H   
  1    0.326231    5.678133  -10.294312  H   
  8   -2.445177    3.978025   -3.391988  O   
  1   -1.901093    4.310248   -2.677962  H   
  1   -1.829304    3.539224   -3.978832  H   
  8   -8.352703  -11.714539   11.022795  O   
  1   -9.238205  -11.352535   10.990084  H   
  1   -8.043585  -11.513155   11.906042  H   
  8   -3.765735   10.730093   -4.076336  O   
  1   -3.883348   11.678120   -4.015961  H   
  1   -4.626722   10.367674   -3.867568  H   
  8   -8.407082  -11.236814  -10.696735  O   
  1   -8.981197  -10.761883  -10.095848  H   
  1   -7.521864  -11.027031  -10.399059  H   
  8   -4.857532    6.018111   -9.700285  O   
  1   -5.652973    5.939863  -10.226955  H   
  1   -5.141596    6.461547   -8.900970  H   
  8   -2.650059   10.565466  -11.681623  O   
  1   -2.292150   11.206339  -12.295963  H   
  1   -2.852174    9.801769  -12.222132  H   
  8   -3.638371  -11.421282   -4.046836  O   
  1   -3.106522  -10.676470   -3.766440  H   
  1   -3.612650  -11.388065   -5.003114  H   
  8   -0.976579   11.439060   -9.578415  O   
  1   -1.501477   11.011753  -10.255262  H   
  1   -1.297747   11.068823   -8.756218  H   
  8   -3.088489    1.756343   -6.073572  O   
  1   -2.262768    1.768734   -5.589563  H   
  1   -3.583488    1.034950   -5.685244  H   
  8   -2.576262   10.951000   -7.249121  O   
  1   -3.185262   10.317284   -7.628273  H   
  1   -3.099005   11.743748   -7.128614  H   
  8    2.232683    1.782899   -8.288998  O   
  1    2.074765    2.710680   -8.114307  H   
  1    3.080305    1.763228   -8.733278  H   
  8    3.069875  -12.124413   -9.530121  O   
  1    3.584271  -12.305405   -8.743439  H   
  1    2.768357  -12.984434   -9.822836  H   
  8    1.382491    3.160120  -11.713810  O   
  1    1.907274    2.389170  -11.498234  H   
  1    0.477398    2.880228  -11.577068  H   
  8    6.344509   10.085062   -0.146129  O   
  1    5.786252    9.967154   -0.914686  H   
  1    7.219651    9.838030   -0.445016  H   
  8    4.789877    4.844673   -6.704022  O   
  1    4.506826    3.993251   -6.370565  H   
  1    4.478445    4.863601   -7.608943  H   
  8   -0.308077    2.670206   -4.829782  O   
  1    0.216453    3.177997   -5.448855  H   
  1    0.249581    1.928669   -4.594468  H   
  8   11.948334   -2.946218   -4.759972  O   
  1   12.165676   -2.151554   -4.272630  H   
  1   12.725185   -3.499135   -4.676204  H   
  8    3.860055    4.792186   -9.466351  O   
  1    4.314084    4.483410  -10.250408  H   
  1    3.495702    5.640655   -9.718498  H   
  8    7.628873    8.844511   -9.396084  O   
  1    6.941219    9.027157  -10.036400  H   
  1    7.179029    8.389896   -8.683907  H   
  8   11.841377    6.237879   -3.879094  O   
  1   12.588783    6.131098   -4.467493  H   
  1   11.425249    5.376057   -3.860865  H   
  8    2.936846  -12.002289   -6.411921  O   
  1    3.106292  -12.489691   -5.605720  H   
  1    2.063982  -12.285238   -6.684461  H   
  8   10.823778    6.796212  -10.870375  O   
  1   10.317476    7.608134  -10.896290  H   
  1   10.881704    6.520209  -11.785086  H   
  8    8.651245   10.965509   11.413507  O   
  1    7.890085   11.300959   11.887156  H   
  1    8.917347   10.189081   11.906031  H   
  8    7.446293    3.608227   -1.570808  O   
  1    6.669627    3.276718   -1.120118  H   
  1    7.727753    4.356809   -1.044845  H   
  8    0.129543   -0.121613   -8.567934  O   
  1   -0.791194    0.093010   -8.717644  H   
  1    0.492724    0.658524   -8.148746  H   
  8   -3.403158    3.576979  -10.686134  O   
  1   -3.635419    4.115585   -9.929703  H   
  1   -3.082618    4.201975  -11.336416  H   
  8    9.596991    4.655017   -9.663139  O   
  1   10.161283    4.493625   -8.906994  H   
  1    9.893597    5.496998  -10.008575  H   
  8    7.305060    4.073931   -4.151476  O   
  1    6.412182    4.328749   -4.384006  H   
  1    7.236473    3.752467   -3.252484  H   
  8   10.205845    8.286089   -5.179923  O   
  1   10.624430    8.783960   -5.882164  H   
  1   10.897604    7.715569   -4.844950  H   
  8   -0.637486   11.946012   11.596992  O   
  1   -0.712655   12.394703   10.754818  H   
  1   -0.056541   11.205360   11.423304  H   
  8    6.091496    7.911704    1.279315  O   
  1    6.322097    7.301145    0.579120  H   
  1    6.065639    8.767956    0.852236  H   
  8    0.385538    5.364751   12.064869  O   
  1    0.878906    4.624358   12.417910  H   
  1   -0.074171    5.006597   11.305510  H   
  8  -10.948666   11.176260    8.146509  O   
  1  -10.640774   10.659275    8.890930  H   
  1  -11.679253   11.687212    8.494942  H   
  8   -1.521353    3.471900    9.962711  O   
  1   -1.680758    4.377999   10.226919  H   
  1   -2.364094    3.168581    9.625044  H   
  8    7.997608    1.562885   -4.417301  O   
  1    7.489466    1.240629   -3.672872  H   
  1    7.751805    2.484753   -4.494595  H   
  8    4.737729    5.299459   -4.023323  O   
  1    3.884010    4.999118   -3.711565  H   
  1    4.679318    5.240492   -4.976918  H   
  8    7.604066    7.940642   -5.749943  O   
  1    8.558336    8.014139   -5.735750  H   
  1    7.434693    7.094070   -6.163297  H   
  8    1.270702   -0.292024  -11.380045  O   
  1    1.060727   -0.049077  -10.478313  H   
  1    0.960518   -1.193663  -11.464100  H   
  8    9.894346   -3.231790   -2.438217  O   
  1   10.689270   -2.881016   -2.839818  H   
  1    9.528131   -2.495638   -1.948115  H   
  8    7.556393    4.592620  -12.285059  O   
  1    7.649216    5.521474  -12.496832  H   
  1    8.333256    4.386163  -11.765358  H   
  8    4.480894   -1.022100  -11.679993  O   
  1    5.302814   -0.877367  -12.148746  H   
  1    4.341860   -0.215002  -11.184519  H   
  8    9.905699    8.410524   -8.224125  O   
  1   10.423660    9.023932   -8.745354  H   
  1    8.996832    8.653540   -8.400579  H   
  8   -5.560177    7.459674   -7.149438  O   
  1   -6.242434    6.850504   -6.867177  H   
  1   -5.974502    8.321411   -7.104968  H   
  8    6.835659    6.196675   -0.611031  O   
  1    7.693108    6.559763   -0.389264  H   
  1    6.569460    6.672988   -1.397476  H   
  8    5.113083    3.280753  -11.575621  O   
  1    6.059198    3.420533  -11.615099  H   
  1    4.771861    3.728261  -12.349918  H   
  8    3.822537    2.442705   -5.949153  O   
  1    4.580441    1.918935   -6.208920  H   
  1    3.121000    2.156179   -6.533944  H   
  8   -0.817652   10.854897   -5.066564  O   
  1   -0.866502   11.556585   -4.417349  H   
  1   -1.678074   10.855665   -5.485973  H   
  8   12.087040   -0.297546   -3.810426  O   
  1   12.921928    0.161846   -3.900720  H   
  1   11.548849    0.039758   -4.526533  H   
  8    8.121994    4.123210    1.434082  O   
  1    8.227577    4.853435    2.043882  H   
  1    8.990604    4.003732    1.050056  H   
  8    4.341677    4.901348    0.197280  O   
  1    4.020609    5.344851    0.982425  H   
  1    5.249926    5.191338    0.112303  H   
  8  -11.418377    2.194529    9.549950  O   
  1  -11.140694    2.577296   10.382185  H   
  1  -12.075863    2.803312    9.213308  H   
  8    2.665102    4.264242   -1.998829  O   
  1    3.413472    4.453154   -1.432715  H   
  1    2.696662    3.316612   -2.130103  H   
  8    9.177094    8.784361  -11.843405  O   
  1    8.667936    8.934671  -11.046915  H   
  1    8.662563    8.148649  -12.340761  H   
  8  -12.313541   11.368553   -2.456351  O   
  1  -12.497919   10.462368   -2.209233  H   
  1  -12.971228   11.883379   -1.988770  H   
  8    3.127409    1.928698   -3.298671  O   
  1    2.596723    1.167295   -3.532909  H   
  1    3.345838    2.336027   -4.136886  H   
  8    7.590881    5.702615   -7.460978  O   
  1    6.735326    5.275409   -7.419117  H   
  1    7.926143    5.483721   -8.330412  H   
  8    5.778726    9.511679  -11.301123  O   
  1    4.964624    9.838444  -10.918114  H   
  1    5.502629    8.805273  -11.885069  H   
  8    3.569004    8.749847   -5.587149  O   
  1    3.130450    8.514656   -4.769476  H   
  1    4.131384    9.488497   -5.353996  H   
  8    4.764684    8.616392   -7.998965  O   
  1    5.189555    9.473577   -8.029731  H   
  1    4.536921    8.494375   -7.077299  H   
  8    6.236818    7.732555   -3.225727  O   
  1    5.725089    6.944069   -3.406434  H   
  1    6.792158    7.840436   -3.997862  H   
  8    1.983956   10.419247  -10.149473  O   
  1    1.173738   10.795673   -9.805841  H   
  1    1.859140   10.406609  -11.098415  H   
  8   -1.315765    4.856662   -0.992624  O   
  1   -0.630062    4.742152   -0.334649  H   
  1   -1.039505    5.622239   -1.496414  H   
  8   11.731239    4.066721    8.639832  O   
  1   12.004269    3.932330    7.732295  H   
  1   12.485535    4.481468    9.058464  H   
  8    6.191830    0.777223   -6.242264  O   
  1    6.949152    0.977257   -5.692099  H   
  1    6.240538   -0.168311   -6.383067  H   
  8   -3.784369   12.205774    9.143583  O   
  1   -3.818744   12.961311    9.730278  H   
  1   -4.666695   12.146019    8.777298  H   
  8    9.467688    9.685337   -2.757809  O   
  1    9.476496   10.623371   -2.948193  H   
  1    9.734875    9.271376   -3.578467  H   
  8    1.629529  -11.872604   -3.006790  O   
  1    1.469368  -10.946201   -2.826908  H   
  1    1.954751  -12.225183   -2.178449  H   
  8    5.150324   11.323177   -7.977603  O   
  1    5.230780   11.494568   -7.039316  H   
  1    5.767097   11.930492   -8.386248  H   
  8    6.580420   12.023790  -11.778555  O   
  1    6.294781   11.146740  -11.522772  H   
  1    6.913080   12.413204  -10.969898  H   
  8   11.191259  -10.501331    0.274186  O   
  1   10.383825  -10.173557    0.670224  H   
  1   11.811583   -9.777370    0.359684  H   
  8   10.591581   11.025848   -9.571753  O   
  1   11.497250   11.247622   -9.355394  H   
  1   10.574448   10.993147  -10.528240  H   
  8    6.731412    1.005282   -8.894007  O   
  1    7.594852    1.417271   -8.925133  H   
  1    6.524364    0.952122   -7.960981  H   
  8    8.614904    8.245182   -0.465303  O   
  1    9.117378    8.627541    0.254107  H   
  1    8.977673    8.650032   -1.253166  H   
$add label     1.37852    8.82015  0.   0.150000  15
$500 TIP4P Water
$add label     1.35350    8.35688  0.   0.150000  24
$try "cut sp 3.5 1 to 22"
