22
COMPND  biph1.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.450   1.180   0.517                
C                   2.823   1.178   0.778                
 C                   3.511  -0.024   0.917                
 C                   2.798  -1.214   0.789                
 C                   1.425  -1.190   0.527                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.006   2.182   0.425                
 H                   3.369   2.132   0.875                
 H                   4.595  -0.035   1.123                
 H                   3.324  -2.177   0.895                
 H                   0.961  -2.182   0.445                
22
 COMPND  biph2.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.541   1.070   0.034                
C                   2.914   1.067   0.291                
 C                   3.511  -0.025   0.916                
 C                   2.706  -1.103   1.275                
 C                   1.334  -1.080   1.010                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.174   1.979  -0.463                
 H                   3.534   1.931  -0.002                
 H                   4.596  -0.036   1.123                
 H                   3.159  -1.977   1.771                
 H                   0.793  -1.980   1.333                
22
 COMPND  biph3.pdb                                                               
 C                  -2.723   1.157  -0.694                
 C                  -3.511   0.043  -0.420                
 C                  -2.900  -1.084   0.120                
 C                  -1.351   1.134  -0.430                
 C                  -0.695   0.016   0.116                
 C                  -1.526  -1.087   0.378                
 C                   0.695   0.002   0.381                
 C                   1.574   0.967  -0.142                
 C                   2.947   0.963   0.113                
  C                   3.511  -0.025   0.916                
  C                   2.673  -1.000   1.453                
  C                   1.302  -0.977   1.186                
  H                  -3.187   2.062  -1.123                
  H                  -4.595   0.054  -0.627                
  H                  -3.505  -1.978   0.344                
  H                  -0.822   2.064  -0.682                
  H                  -1.145  -2.026   0.804                
  H                   1.233   1.790  -0.787                
  H                   3.594   1.744  -0.323                
  H                   4.596  -0.036   1.122                
  H                   3.100  -1.791   2.091                
  H                   0.733  -1.790   1.658                
22
COMPND  biph4.pdb                                                               
 C                  -2.723   1.157  -0.694                
 C                  -3.511   0.043  -0.420                
 C                  -2.900  -1.084   0.120                
 C                  -1.351   1.134  -0.430                
 C                  -0.695   0.016   0.116                
 C                  -1.526  -1.087   0.378                
 C                   0.695   0.002   0.381                
 C                   1.602   0.835  -0.298                
 C                   2.976   0.829  -0.045                
  C                   3.511  -0.025   0.916                
  C                   2.644  -0.866   1.611                
  C                   1.273  -0.845   1.342                
  H                  -3.187   2.062  -1.123                
  H                  -4.595   0.054  -0.627                
  H                  -3.505  -1.978   0.344                
  H                  -0.822   2.064  -0.682                
  H                  -1.145  -2.026   0.804                
  H                   1.286   1.546  -1.075                
  H                   3.645   1.503  -0.606                
  H                   4.596  -0.036   1.122                
  H                   3.048  -1.550   2.375                
  H                   0.681  -1.547   1.945                
22
COMPND  biph5.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.623   0.702  -0.411                
C                   2.996   0.695  -0.159                
 C                   3.511  -0.026   0.916                
 C                   2.624  -0.732   1.725                
 C                   1.253  -0.712   1.455                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.323   1.300  -1.283                
 H                   3.682   1.261  -0.812                
 H                   4.596  -0.037   1.122                
 H                   3.011  -1.309   2.581                
 H                   0.644  -1.302   2.153                
22
COMPND  biph6.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.640   0.535  -0.513                
C                   3.014   0.526  -0.262                
 C                   3.511  -0.026   0.916                
 C                   2.606  -0.564   1.828                
 C                   1.235  -0.545   1.557                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.356   0.994  -1.471                
 H                   3.715   0.958  -0.997                
 H                   4.595  -0.037   1.123                
 H                   2.979  -1.007   2.766                
 H                   0.611  -0.995   2.341                
22
COMPND  biph7.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.654   0.314  -0.600                
C                   3.029   0.303  -0.348                
 C                   3.511  -0.026   0.916                
 C                   2.592  -0.341   1.914                
 C                   1.221  -0.324   1.643                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.382   0.587  -1.628                
 H                   3.740   0.555  -1.152                
 H                   4.595  -0.037   1.123                
 H                   2.953  -0.605   2.922                
 H                   0.585  -0.588   2.500                
22
COMPND  biph8.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.660  -0.003  -0.642                
C                   3.034  -0.017  -0.392                
 C                   3.511  -0.027   0.916                
 C                   2.587  -0.022   1.958                
 C                   1.216  -0.008   1.686                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.391   0.004  -1.708                
 H                   3.749  -0.021  -1.231                
 H                   4.595  -0.038   1.123                
 H                   2.943  -0.030   3.000                
 H                   0.575  -0.006   2.579                
22
COMPND  biph9.pdb                                                               
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.654  -0.209  -0.625                
C                   3.028  -0.225  -0.375                
 C                   3.511  -0.027   0.917                
 C                   2.592   0.186   1.941                
 C                   1.221   0.198   1.669                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.382  -0.375  -1.677                
 H                   3.740  -0.395  -1.200                
 H                   4.595  -0.038   1.123                
 H                   2.953   0.344   2.971                
 H                   0.585   0.373   2.548                
22
 COMPND  biph10.pdb                                                              
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.644  -0.389  -0.580                
C                   3.018  -0.407  -0.329                
 C                   3.511  -0.027   0.917                
 C                   2.602   0.367   1.896                
 C                   1.232   0.378   1.624                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.363  -0.707  -1.594                
 H                   3.721  -0.723  -1.118                
 H                   4.595  -0.038   1.124                
 H                   2.972   0.671   2.889                
 H                   0.604   0.705   2.465                
22
COMPND  biph11.pdb                                                              
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.615  -0.666  -0.445                
C                   2.989  -0.687  -0.193                
 C                   3.511  -0.027   0.917                
 C                   2.631   0.647   1.761                
 C                   1.260   0.655   1.490                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.310  -1.217  -1.347                
 H                   3.669  -1.227  -0.873                
 H                   4.595  -0.039   1.124                
 H                   3.023   1.175   2.645                
 H                   0.656   1.215   2.218                
22
 COMPND  biph12.pdb                                                              
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.591  -0.819  -0.325                
C                   2.964  -0.841  -0.071                
 C                   3.511  -0.028   0.917                
 C                   2.655   0.802   1.640                
 C                   1.284   0.808   1.370                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.265  -1.500  -1.125                
 H                   3.625  -1.505  -0.655                
 H                   4.595  -0.039   1.125                
 H                   3.068   1.454   2.427                
 H                   0.700   1.498   1.997                
22
COMPND  biph13.pdb                                                              
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.564  -0.944  -0.190                
C                   2.937  -0.967   0.065                
 C                   3.511  -0.028   0.918                
 C                   2.683   0.928   1.503                
 C                   1.311   0.933   1.235                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.215  -1.729  -0.876                
 H                   3.575  -1.732  -0.408                
 H                   4.595  -0.039   1.125                
 H                   3.117   1.680   2.182                
 H                   0.751   1.727   1.748                
22
 COMPND  biph14.pdb                                                              
 C                  -2.723   1.157  -0.694                
 C                  -3.511   0.043  -0.420                
 C                  -2.900  -1.084   0.120                
 C                  -1.351   1.134  -0.430                
 C                  -0.695   0.016   0.116                
 C                  -1.526  -1.087   0.378                
 C                   0.695   0.002   0.381                
 C                   1.518  -1.087   0.045                
 C                   2.890  -1.112   0.302                
  C                   3.511  -0.027   0.918                
  C                   2.729   1.072   1.267                
  C                   1.358   1.076   1.000                
  H                  -3.187   2.062  -1.123                
  H                  -4.595   0.054  -0.627                
  H                  -3.505  -1.978   0.344                
  H                  -0.822   2.064  -0.682                
  H                  -1.145  -2.026   0.804                
  H                   1.130  -1.992  -0.444                
  H                   3.491  -1.992   0.019                
  H                   4.595  -0.039   1.125                
  H                   3.200   1.940   1.756                
  H                   0.836   1.990   1.316                
22
COMPND  biph15.pdb                                                              
C                  -2.723   1.157  -0.694                
C                  -3.511   0.043  -0.420                
C                  -2.900  -1.084   0.120                
C                  -1.351   1.134  -0.430                
C                  -0.695   0.016   0.116                
C                  -1.526  -1.087   0.378                
C                   0.695   0.002   0.381                
C                   1.471  -1.166   0.286                
C                   2.843  -1.191   0.546                
 C                   3.510  -0.027   0.919                
 C                   2.776   1.152   1.024                
 C                   1.404   1.155   0.759                
 H                  -3.187   2.062  -1.123                
 H                  -4.595   0.054  -0.627                
 H                  -3.505  -1.978   0.344                
 H                  -0.822   2.064  -0.682                
 H                  -1.145  -2.026   0.804                
 H                   1.044  -2.138   0.000                
 H                   3.406  -2.136   0.457                
 H                   4.595  -0.038   1.126                
 H                   3.286   2.084   1.318                
 H                   0.922   2.136   0.872                
        


