COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.902  -2.894   1.586  1.00  0.00           O  
HETATM    2  P   UNL     1     -12.516  -2.343   0.204  1.00  0.00           P  
HETATM    3  O   UNL     1     -14.028  -1.845   0.448  1.00  0.00           O  
HETATM    4  O   UNL     1     -12.511  -3.426  -0.805  1.00  0.00           O  
HETATM    5  O   UNL     1     -11.625  -1.112  -0.327  1.00  0.00           O  
HETATM    6  C   UNL     1     -10.333  -1.640  -0.636  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.432  -0.515  -1.148  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.163   0.420  -0.090  1.00  0.00           O  
HETATM    9  C   UNL     1      -7.819   0.911  -0.292  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.036  -0.352  -0.731  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.887   0.004  -1.503  1.00  0.00           O  
HETATM   12  C   UNL     1      -8.078  -1.095  -1.602  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.855  -0.825  -2.988  1.00  0.00           O  
HETATM   14  N   UNL     1      -7.276   1.453   0.956  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.676   1.129   2.218  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.979   1.798   3.091  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.090   2.590   2.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.106   3.506   2.854  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.883   3.756   4.197  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.266   2.374   1.068  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.508   3.046   0.208  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.598   3.895   0.636  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.393   4.127   1.919  1.00  0.00           N  
HETATM   24  P   UNL     1      -4.609  -0.628  -0.754  1.00  0.00           P  
HETATM   25  O   UNL     1      -4.430   0.071   0.685  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.813  -2.083  -0.574  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.289  -0.377  -1.641  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.217  -1.059  -0.987  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.925  -0.860  -1.783  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.523   0.519  -1.730  1.00  0.00           O  
HETATM   31  C   UNL     1       0.921   0.538  -1.728  1.00  0.00           C  
HETATM   32  N   UNL     1       1.420   1.803  -1.181  1.00  0.00           N  
HETATM   33  C   UNL     1       0.749   2.637  -0.337  1.00  0.00           C  
HETATM   34  N   UNL     1       1.488   3.669  -0.051  1.00  0.00           N  
HETATM   35  C   UNL     1       2.677   3.563  -0.691  1.00  0.00           C  
HETATM   36  C   UNL     1       2.650   2.361  -1.420  1.00  0.00           C  
HETATM   37  N   UNL     1       3.709   2.023  -2.148  1.00  0.00           N  
HETATM   38  C   UNL     1       4.774   2.795  -2.181  1.00  0.00           C  
HETATM   39  N   UNL     1       4.849   3.930  -1.510  1.00  0.00           N  
HETATM   40  C   UNL     1       3.837   4.353  -0.759  1.00  0.00           C  
HETATM   41  N   UNL     1       3.925   5.543  -0.058  1.00  0.00           N  
HETATM   42  C   UNL     1       1.296  -0.648  -0.803  1.00  0.00           C  
HETATM   43  O   UNL     1       2.600  -1.143  -1.112  1.00  0.00           O  
HETATM   44  C   UNL     1       0.210  -1.692  -1.157  1.00  0.00           C  
HETATM   45  O   UNL     1       0.716  -2.641  -2.098  1.00  0.00           O  
HETATM   46  P   UNL     1       3.466  -1.052   0.243  1.00  0.00           P  
HETATM   47  O   UNL     1       3.648   0.492   0.661  1.00  0.00           O  
HETATM   48  O   UNL     1       2.764  -1.777   1.326  1.00  0.00           O  
HETATM   49  O   UNL     1       4.912  -1.718   0.002  1.00  0.00           O  
HETATM   50  C   UNL     1       5.584  -1.714   1.263  1.00  0.00           C  
HETATM   51  C   UNL     1       6.972  -2.336   1.102  1.00  0.00           C  
HETATM   52  O   UNL     1       7.805  -1.501   0.268  1.00  0.00           O  
HETATM   53  C   UNL     1       9.162  -1.885   0.579  1.00  0.00           C  
HETATM   54  N   UNL     1      10.094  -0.822   0.193  1.00  0.00           N  
HETATM   55  C   UNL     1       9.788   0.495   0.023  1.00  0.00           C  
HETATM   56  N   UNL     1      10.855   1.158  -0.320  1.00  0.00           N  
HETATM   57  C   UNL     1      11.910   0.311  -0.385  1.00  0.00           C  
HETATM   58  C   UNL     1      11.433  -0.970  -0.062  1.00  0.00           C  
HETATM   59  N   UNL     1      12.282  -1.993  -0.058  1.00  0.00           N  
HETATM   60  C   UNL     1      13.551  -1.813  -0.357  1.00  0.00           C  
HETATM   61  N   UNL     1      14.044  -0.629  -0.672  1.00  0.00           N  
HETATM   62  C   UNL     1      13.272   0.452  -0.702  1.00  0.00           C  
HETATM   63  N   UNL     1      13.797   1.689  -1.034  1.00  0.00           N  
HETATM   64  C   UNL     1       9.178  -2.085   2.110  1.00  0.00           C  
HETATM   65  O   UNL     1      10.014  -3.187   2.469  1.00  0.00           O  
HETATM   66  C   UNL     1       7.702  -2.386   2.463  1.00  0.00           C  
HETATM   67  O   UNL     1       7.581  -3.685   3.048  1.00  0.00           O  
HETATM   68  H   UNL     1     -11.924  -2.159   2.214  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.527  -2.611   0.764  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.429  -2.407  -1.404  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.895  -2.077   0.261  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.914  -0.004  -1.981  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.801   1.666  -1.077  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.751  -0.953   0.132  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.039  -2.167  -1.412  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.531  -1.312  -3.480  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.457   0.422   2.459  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.410   3.296   4.869  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.201   4.390   4.465  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.996   4.422  -0.090  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.300   1.015   0.522  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.446  -2.123  -0.927  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.090  -0.657   0.018  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.078  -1.162  -2.819  1.00  0.00           H  
HETATM   85  H   UNL     1       1.309   0.377  -2.734  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.250   2.467   0.038  1.00  0.00           H  
HETATM   87  H   UNL     1       5.619   2.490  -2.780  1.00  0.00           H  
HETATM   88  H   UNL     1       3.180   5.841   0.487  1.00  0.00           H  
HETATM   89  H   UNL     1       4.731   6.080  -0.113  1.00  0.00           H  
HETATM   90  H   UNL     1       1.230  -0.358   0.246  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.140  -2.199  -0.257  1.00  0.00           H  
HETATM   92  H   UNL     1       0.000  -3.264  -2.280  1.00  0.00           H  
HETATM   93  H   UNL     1       4.108   0.927  -0.070  1.00  0.00           H  
HETATM   94  H   UNL     1       5.007  -2.293   1.984  1.00  0.00           H  
HETATM   95  H   UNL     1       5.684  -0.688   1.618  1.00  0.00           H  
HETATM   96  H   UNL     1       6.892  -3.337   0.677  1.00  0.00           H  
HETATM   97  H   UNL     1       9.418  -2.815   0.072  1.00  0.00           H  
HETATM   98  H   UNL     1       8.806   0.926   0.152  1.00  0.00           H  
HETATM   99  H   UNL     1      14.214  -2.665  -0.345  1.00  0.00           H  
HETATM  100  H   UNL     1      14.740   1.774  -1.247  1.00  0.00           H  
HETATM  101  H   UNL     1      13.223   2.470  -1.056  1.00  0.00           H  
HETATM  102  H   UNL     1       9.512  -1.175   2.609  1.00  0.00           H  
HETATM  103  H   UNL     1       9.933  -3.299   3.426  1.00  0.00           H  
HETATM  104  H   UNL     1       7.306  -1.627   3.137  1.00  0.00           H  
HETATM  105  H   UNL     1       8.054  -3.656   3.891  1.00  0.00           H  
CONECT    1    2   68                                                 
CONECT    2    1    3    4    4                                       
CONECT    2    5                                                      
CONECT    3    2   69                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   70   71                                       
CONECT    7    6    8   12   72                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   14   73                                       
CONECT   10    9   11   12   74                                       
CONECT   11   10   24                                                 
CONECT   12    7   10   13   75                                       
CONECT   13   12   76                                                 
CONECT   14    9   15   20                                            
CONECT   15   14   16   16   77                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   23   23                                       
CONECT   19   18   78   79                                            
CONECT   20   14   17   17   21                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   23   80                                       
CONECT   23   18   18   22                                            
CONECT   24   11   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   81                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   82   83                                       
CONECT   29   28   30   44   84                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   42   85                                       
CONECT   32   31   33   36                                            
CONECT   33   32   34   34   86                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   40                                       
CONECT   36   32   35   35   37                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   87                                       
CONECT   39   38   40   40                                            
CONECT   40   35   39   39   41                                       
CONECT   41   40   88   89                                            
CONECT   42   31   43   44   90                                       
CONECT   43   42   46                                                 
CONECT   44   29   42   45   91                                       
CONECT   45   44   92                                                 
CONECT   46   43   47   48   48                                       
CONECT   46   49                                                      
CONECT   47   46   93                                                 
CONECT   48   46   46                                                 
CONECT   49   46   50                                                 
CONECT   50   49   51   94   95                                       
CONECT   51   50   52   66   96                                       
CONECT   52   51   53                                                 
CONECT   53   52   54   64   97                                       
CONECT   54   53   55   58                                            
CONECT   55   54   56   56   98                                       
CONECT   56   55   55   57                                            
CONECT   57   56   58   58   62                                       
CONECT   58   54   57   57   59                                       
CONECT   59   58   60   60                                            
CONECT   60   59   59   61   99                                       
CONECT   61   60   62   62                                            
CONECT   62   57   61   61   63                                       
CONECT   63   62  100  101                                            
CONECT   64   53   65   66  102                                       
CONECT   65   64  103                                                 
CONECT   66   51   64   67  104                                       
CONECT   67   66  105                                                 
CONECT   68    1                                                      
CONECT   69    3                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   12                                                      
CONECT   76   13                                                      
CONECT   77   15                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   22                                                      
CONECT   81   25                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   33                                                      
CONECT   87   38                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   51                                                      
CONECT   97   53                                                      
CONECT   98   55                                                      
CONECT   99   60                                                      
CONECT  100   63                                                      
CONECT  101   63                                                      
CONECT  102   64                                                      
CONECT  103   65                                                      
CONECT  104   66                                                      
CONECT  105   67                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
