COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.257  -4.151   2.629  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.964  -5.472   2.320  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.150  -5.650   3.270  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.465  -5.457   0.875  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.382  -4.374   0.701  1.00  0.00           O  
HETATM    6  P   UNL     1      -3.108  -4.057  -0.701  1.00  0.00           P  
HETATM    7  O   UNL     1      -4.089  -5.275  -1.085  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.086  -3.895  -1.760  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.963  -2.700  -0.568  1.00  0.00           O  
HETATM   10  P   UNL     1      -4.644  -1.698  -1.628  1.00  0.00           P  
HETATM   11  O   UNL     1      -5.359  -2.483  -2.660  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.503  -0.803  -2.329  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.687  -0.737  -0.866  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.529   0.194  -1.549  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.392   0.942  -0.530  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.576   1.834   0.261  1.00  0.00           O  
HETATM   17  C   UNL     1      -7.494   2.809   0.802  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.774   4.020   1.203  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.569   4.439   0.721  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.224   5.554   1.296  1.00  0.00           N  
HETATM   21  C   UNL     1      -6.182   5.920   2.181  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.351   7.001   3.064  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.393   7.996   3.156  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.451   7.044   3.808  1.00  0.00           N  
HETATM   25  C   UNL     1      -8.369   6.099   3.727  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.254   5.070   2.915  1.00  0.00           N  
HETATM   27  C   UNL     1      -7.191   4.944   2.127  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.467   3.121  -0.357  1.00  0.00           C  
HETATM   29  O   UNL     1      -9.794   3.309   0.140  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.399   1.864  -1.253  1.00  0.00           C  
HETATM   31  O   UNL     1      -9.680   1.238  -1.337  1.00  0.00           O  
HETATM   32  P   UNL     1     -10.410   0.919  -2.736  1.00  0.00           P  
HETATM   33  O   UNL     1      -9.551  -0.170  -3.554  1.00  0.00           O  
HETATM   34  O   UNL     1     -11.884   0.336  -2.452  1.00  0.00           O  
HETATM   35  O   UNL     1     -10.517   2.162  -3.532  1.00  0.00           O  
HETATM   36  C   UNL     1       0.018  -6.631   2.507  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.613  -7.855   2.126  1.00  0.00           O  
HETATM   38  C   UNL     1       1.234  -6.403   1.648  1.00  0.00           C  
HETATM   39  O   UNL     1       1.430  -7.102   0.677  1.00  0.00           O  
HETATM   40  N   UNL     1       2.104  -5.421   1.958  1.00  0.00           N  
HETATM   41  C   UNL     1       3.239  -5.142   1.074  1.00  0.00           C  
HETATM   42  C   UNL     1       4.064  -3.990   1.652  1.00  0.00           C  
HETATM   43  C   UNL     1       5.231  -3.703   0.744  1.00  0.00           C  
HETATM   44  O   UNL     1       5.388  -4.356  -0.267  1.00  0.00           O  
HETATM   45  N   UNL     1       6.101  -2.722   1.054  1.00  0.00           N  
HETATM   46  C   UNL     1       7.236  -2.443   0.170  1.00  0.00           C  
HETATM   47  C   UNL     1       8.061  -1.291   0.748  1.00  0.00           C  
HETATM   48  N   UNL     1       9.196  -1.012  -0.135  1.00  0.00           N  
HETATM   49  C   UNL     1      10.066  -0.030   0.175  1.00  0.00           C  
HETATM   50  O   UNL     1       9.909   0.622   1.185  1.00  0.00           O  
HETATM   51  C   UNL     1      11.233   0.257  -0.734  1.00  0.00           C  
HETATM   52  C   UNL     1      12.058   1.408  -0.156  1.00  0.00           C  
HETATM   53  C   UNL     1      13.226   1.696  -1.064  1.00  0.00           C  
HETATM   54  O   UNL     1      13.382   1.043  -2.074  1.00  0.00           O  
HETATM   55  C   UNL     1      14.176   2.768  -0.725  1.00  0.00           C  
HETATM   56  C   UNL     1      15.422   2.456  -0.182  1.00  0.00           C  
HETATM   57  C   UNL     1      16.310   3.467   0.134  1.00  0.00           C  
HETATM   58  C   UNL     1      15.972   4.791  -0.085  1.00  0.00           C  
HETATM   59  C   UNL     1      14.741   5.120  -0.622  1.00  0.00           C  
HETATM   60  C   UNL     1      13.835   4.117  -0.954  1.00  0.00           C  
HETATM   61  C   UNL     1      12.521   4.464  -1.535  1.00  0.00           C  
HETATM   62  O   UNL     1      11.711   3.589  -1.770  1.00  0.00           O  
HETATM   63  O   UNL     1      12.221   5.749  -1.804  1.00  0.00           O  
HETATM   64  H   UNL     1       0.105  -4.164   3.657  1.00  0.00           H  
HETATM   65  H   UNL     1       0.584  -4.021   1.949  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.958  -3.326   2.502  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.890  -4.873   3.077  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.601  -6.630   3.109  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.805  -5.575   4.301  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.620  -5.330   0.199  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.969  -6.398   0.655  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.785  -5.439  -0.434  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.993  -0.262  -1.711  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.913   0.907  -2.097  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.173  -0.342  -2.246  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.918   0.236   0.112  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.035   2.391   1.651  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.987   3.921  -0.027  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.595   7.953   2.607  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.521   8.737   3.769  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.248   6.174   4.350  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.138   4.003  -0.906  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.882   4.049   0.757  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.033   2.124  -2.247  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.440  -1.012  -3.091  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.382   0.120  -3.252  1.00  0.00           H  
HETATM   87  H   UNL     1       0.318  -6.688   3.554  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.906  -7.876   1.205  1.00  0.00           H  
HETATM   89  H   UNL     1       1.978  -4.899   2.766  1.00  0.00           H  
HETATM   90  H   UNL     1       3.864  -6.032   0.993  1.00  0.00           H  
HETATM   91  H   UNL     1       2.871  -4.865   0.086  1.00  0.00           H  
HETATM   92  H   UNL     1       3.439  -3.101   1.733  1.00  0.00           H  
HETATM   93  H   UNL     1       4.432  -4.267   2.640  1.00  0.00           H  
HETATM   94  H   UNL     1       5.976  -2.200   1.862  1.00  0.00           H  
HETATM   95  H   UNL     1       7.861  -3.332   0.090  1.00  0.00           H  
HETATM   96  H   UNL     1       6.868  -2.166  -0.818  1.00  0.00           H  
HETATM   97  H   UNL     1       7.436  -0.401   0.829  1.00  0.00           H  
HETATM   98  H   UNL     1       8.429  -1.568   1.736  1.00  0.00           H  
HETATM   99  H   UNL     1       9.321  -1.534  -0.943  1.00  0.00           H  
HETATM  100  H   UNL     1      11.858  -0.633  -0.814  1.00  0.00           H  
HETATM  101  H   UNL     1      10.865   0.533  -1.722  1.00  0.00           H  
HETATM  102  H   UNL     1      11.433   2.298  -0.075  1.00  0.00           H  
HETATM  103  H   UNL     1      12.426   1.132   0.832  1.00  0.00           H  
HETATM  104  H   UNL     1      15.693   1.426  -0.008  1.00  0.00           H  
HETATM  105  H   UNL     1      17.274   3.222   0.555  1.00  0.00           H  
HETATM  106  H   UNL     1      16.674   5.572   0.167  1.00  0.00           H  
HETATM  107  H   UNL     1      14.484   6.156  -0.790  1.00  0.00           H  
HETATM  108  H   UNL     1      11.349   5.927  -2.184  1.00  0.00           H  
CONECT    1    2   64   65   66                                       
CONECT    2    1    4   36    3                                       
CONECT    3    2   67   68   69                                       
CONECT    4    2    5   70   71                                       
CONECT    5    4    6                                                 
CONECT    6    5    8    8    7                                       
CONECT    6    9                                                      
CONECT    7    6   72                                                 
CONECT    8    6    6                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   11   13                                       
CONECT   10   12                                                      
CONECT   11   10   10                                                 
CONECT   12   10   73                                                 
CONECT   13   10   14                                                 
CONECT   14   13   15   74   75                                       
CONECT   15   14   30   16   76                                       
CONECT   16   15   17                                                 
CONECT   17   16   28   18   77                                       
CONECT   18   17   19   27                                            
CONECT   19   18   20   20   78                                       
CONECT   20   19   19   21                                            
CONECT   21   20   27   27   22                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   79   80                                            
CONECT   24   22   22   25                                            
CONECT   25   24   26   26   81                                       
CONECT   26   25   25   27                                            
CONECT   27   18   21   21   26                                       
CONECT   28   17   30   29   82                                       
CONECT   29   28   83                                                 
CONECT   30   15   28   31   84                                       
CONECT   31   30   32                                                 
CONECT   32   31   35   35   33                                       
CONECT   32   34                                                      
CONECT   33   32   85                                                 
CONECT   34   32   86                                                 
CONECT   35   32   32                                                 
CONECT   36    2   37   38   87                                       
CONECT   37   36   88                                                 
CONECT   38   36   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   89                                            
CONECT   41   40   42   90   91                                       
CONECT   42   41   43   92   93                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   94                                            
CONECT   46   45   47   95   96                                       
CONECT   47   46   48   97   98                                       
CONECT   48   47   49   99                                            
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52  100  101                                       
CONECT   52   51   53  102  103                                       
CONECT   53   52   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   60   60   56                                       
CONECT   56   55   57   57  104                                       
CONECT   57   56   56   58  105                                       
CONECT   58   57   59   59  106                                       
CONECT   59   58   58   60  107                                       
CONECT   60   55   55   59   61                                       
CONECT   61   60   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63   61  108                                                 
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    7                                                      
CONECT   73   12                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   17                                                      
CONECT   78   19                                                      
CONECT   79   23                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   51                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   52                                                      
CONECT  104   56                                                      
CONECT  105   57                                                      
CONECT  106   58                                                      
CONECT  107   59                                                      
CONECT  108   63                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
