COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   1     -13.953  -6.982  -2.398  1.00  0.00           O  
HETATM    2  C   UNK A   1     -14.604  -5.964  -2.407  1.00  0.00           C  
HETATM    3  O   UNK A   1     -15.530  -5.767  -3.358  1.00  0.00           O  
HETATM    4  C   UNK A   1     -14.379  -4.917  -1.347  1.00  0.00           C  
HETATM    5  C   UNK A   1     -13.282  -5.387  -0.389  1.00  0.00           C  
HETATM    6  C   UNK A   1     -13.054  -4.324   0.687  1.00  0.00           C  
HETATM    7  C   UNK A   1     -12.063  -4.839   1.699  1.00  0.00           C  
HETATM    8  O   UNK A   1     -12.333  -5.953   2.396  1.00  0.00           O  
HETATM    9  O   UNK A   1     -11.026  -4.248   1.883  1.00  0.00           O  
HETATM   10  N   UNK A   1     -12.530  -3.105   0.066  1.00  0.00           N  
HETATM   11  C   UNK A   0     -12.716  -1.911   0.663  1.00  0.00           C  
HETATM   12  O   UNK A   0     -13.318  -1.846   1.717  1.00  0.00           O  
HETATM   13  N   UNK A   1     -12.233  -0.790   0.092  1.00  0.00           N  
HETATM   14  C   UNK A   1     -12.435   0.508   0.741  1.00  0.00           C  
HETATM   15  C   UNK A   1     -13.781   1.061   0.350  1.00  0.00           C  
HETATM   16  O   UNK A   1     -14.499   0.435  -0.394  1.00  0.00           O  
HETATM   17  O   UNK A   1     -14.184   2.249   0.829  1.00  0.00           O  
HETATM   18  C   UNK A   1     -11.337   1.477   0.297  1.00  0.00           C  
HETATM   19  C   UNK A   1      -9.982   0.978   0.802  1.00  0.00           C  
HETATM   20  C   UNK A   1      -8.884   1.947   0.358  1.00  0.00           C  
HETATM   21  C   UNK A   1      -7.529   1.448   0.863  1.00  0.00           C  
HETATM   22  N   UNK A   1      -6.478   2.375   0.438  1.00  0.00           N  
HETATM   23  C   UNK A   1      -5.194   2.137   0.771  1.00  0.00           C  
HETATM   24  O   UNK A   1      -4.908   1.155   1.422  1.00  0.00           O  
HETATM   25  C   UNK A   1      -4.112   3.091   0.333  1.00  0.00           C  
HETATM   26  C   UNK A   1      -4.089   3.170  -1.195  1.00  0.00           C  
HETATM   27  C   UNK A   1      -3.093   4.214  -1.629  1.00  0.00           C  
HETATM   28  C   UNK A   1      -1.800   3.855  -1.852  1.00  0.00           C  
HETATM   29  C   UNK A   1      -0.868   4.826  -2.257  1.00  0.00           C  
HETATM   30  C   UNK A   1       0.475   4.493  -2.497  1.00  0.00           C  
HETATM   31  C   UNK A   1       1.349   5.461  -2.889  1.00  0.00           C  
HETATM   32  C   UNK A   1       0.932   6.780  -3.056  1.00  0.00           C  
HETATM   33  C   UNK A   1      -0.361   7.139  -2.832  1.00  0.00           C  
HETATM   34  C   UNK A   1      -1.293   6.168  -2.427  1.00  0.00           C  
HETATM   35  C   UNK A   1      -2.637   6.501  -2.187  1.00  0.00           C  
HETATM   36  C   UNK A   1      -3.512   5.533  -1.802  1.00  0.00           C  
HETATM   37  N   UNK A   1      -2.815   2.614   0.817  1.00  0.00           N  
HETATM   38  C   UNK A   1      -1.804   3.485   1.006  1.00  0.00           C  
HETATM   39  O   UNK A   1      -1.969   4.667   0.775  1.00  0.00           O  
HETATM   40  C   UNK A   1      -0.494   3.003   1.494  1.00  0.00           C  
HETATM   41  C   UNK A   1      -0.299   1.646   1.754  1.00  0.00           C  
HETATM   42  C   UNK A   1       0.925   1.202   2.209  1.00  0.00           C  
HETATM   43  C   UNK A   1       0.555   3.902   1.691  1.00  0.00           C  
HETATM   44  C   UNK A   1       1.775   3.446   2.146  1.00  0.00           C  
HETATM   45  C   UNK A   1       1.959   2.100   2.408  1.00  0.00           C  
HETATM   46  C   UNK A   1       3.294   1.609   2.905  1.00  0.00           C  
HETATM   47  N   UNK A   1       4.142   1.259   1.763  1.00  0.00           N  
HETATM   48  C   UNK A   1       5.390   0.793   1.968  1.00  0.00           C  
HETATM   49  O   UNK A   1       5.811   0.664   3.098  1.00  0.00           O  
HETATM   50  C   UNK A   1       6.263   0.433   0.793  1.00  0.00           C  
HETATM   51  C   UNK A   1       6.469   1.669  -0.086  1.00  0.00           C  
HETATM   52  S   UNK A   1       7.395   1.203  -1.575  1.00  0.00           S  
HETATM   53  O   UNK A   1       6.604   0.371  -2.414  1.00  0.00           O  
HETATM   54  O   UNK A   1       7.534   2.501  -2.357  1.00  0.00           O  
HETATM   55  O   UNK A   1       8.730   0.850  -1.242  1.00  0.00           O  
HETATM   56  N   UNK A   1       7.561  -0.044   1.277  1.00  0.00           N  
HETATM   57  C   UNK A   1       8.302  -0.871   0.513  1.00  0.00           C  
HETATM   58  O   UNK A   1       7.894  -1.220  -0.575  1.00  0.00           O  
HETATM   59  C   UNK A   1       9.637  -1.362   1.011  1.00  0.00           C  
HETATM   60  C   UNK A   1      10.558  -0.167   1.263  1.00  0.00           C  
HETATM   61  S   UNK A   1      12.165  -0.759   1.862  1.00  0.00           S  
HETATM   62  O   UNK A   1      12.038  -1.315   3.163  1.00  0.00           O  
HETATM   63  O   UNK A   1      12.856  -1.453   0.833  1.00  0.00           O  
HETATM   64  O   UNK A   1      12.981   0.508   2.073  1.00  0.00           O  
HETATM   65  N   UNK A   1      10.240  -2.240   0.005  1.00  0.00           N  
HETATM   66  C   UNK A   1      11.137  -3.175   0.377  1.00  0.00           C  
HETATM   67  O   UNK A   1      11.445  -3.290   1.547  1.00  0.00           O  
HETATM   68  C   UNK A   1      11.745  -4.060  -0.638  1.00  0.00           C  
HETATM   69  C   UNK A   1      12.678  -5.036  -0.263  1.00  0.00           C  
HETATM   70  C   UNK A   1      13.219  -5.839  -1.250  1.00  0.00           C  
HETATM   71  C   UNK A   1      12.823  -5.655  -2.566  1.00  0.00           C  
HETATM   72  F   UNK A   1      13.349  -6.438  -3.534  1.00  0.00           F  
HETATM   73  N   UNK A   1      11.940  -4.727  -2.889  1.00  0.00           N  
HETATM   74  C   UNK A   1      11.394  -3.942  -1.983  1.00  0.00           C  
HETATM   75  H   UNK A   1     -15.641  -6.469  -4.015  1.00  0.00           H  
HETATM   76  H   UNK A   1     -14.074  -3.982  -1.818  1.00  0.00           H  
HETATM   77  H   UNK A   1     -15.303  -4.758  -0.791  1.00  0.00           H  
HETATM   78  H   UNK A   1     -13.588  -6.322   0.082  1.00  0.00           H  
HETATM   79  H   UNK A   1     -12.358  -5.545  -0.946  1.00  0.00           H  
HETATM   80  H   UNK A   1     -13.998  -4.102   1.184  1.00  0.00           H  
HETATM   81  H   UNK A   1     -11.667  -6.245   3.034  1.00  0.00           H  
HETATM   82  H   UNK A   1     -12.049  -3.157  -0.775  1.00  0.00           H  
HETATM   83  H   UNK A   1     -11.752  -0.842  -0.749  1.00  0.00           H  
HETATM   84  H   UNK A   1     -12.394   0.383   1.823  1.00  0.00           H  
HETATM   85  H   UNK A   1     -15.055   2.562   0.550  1.00  0.00           H  
HETATM   86  H   UNK A   1     -11.321   1.533  -0.791  1.00  0.00           H  
HETATM   87  H   UNK A   1     -11.537   2.466   0.709  1.00  0.00           H  
HETATM   88  H   UNK A   1      -9.998   0.922   1.890  1.00  0.00           H  
HETATM   89  H   UNK A   1      -9.782  -0.011   0.390  1.00  0.00           H  
HETATM   90  H   UNK A   1      -8.868   2.003  -0.731  1.00  0.00           H  
HETATM   91  H   UNK A   1      -9.084   2.936   0.770  1.00  0.00           H  
HETATM   92  H   UNK A   1      -7.545   1.391   1.951  1.00  0.00           H  
HETATM   93  H   UNK A   1      -7.329   0.459   0.451  1.00  0.00           H  
HETATM   94  H   UNK A   1      -6.706   3.161  -0.084  1.00  0.00           H  
HETATM   95  H   UNK A   1      -4.312   4.081   0.745  1.00  0.00           H  
HETATM   96  H   UNK A   1      -3.803   2.202  -1.605  1.00  0.00           H  
HETATM   97  H   UNK A   1      -5.081   3.440  -1.560  1.00  0.00           H  
HETATM   98  H   UNK A   1      -1.491   2.829  -1.718  1.00  0.00           H  
HETATM   99  H   UNK A   1       0.813   3.475  -2.372  1.00  0.00           H  
HETATM  100  H   UNK A   1       2.382   5.202  -3.073  1.00  0.00           H  
HETATM  101  H   UNK A   1       1.646   7.528  -3.367  1.00  0.00           H  
HETATM  102  H   UNK A   1      -0.670   8.165  -2.965  1.00  0.00           H  
HETATM  103  H   UNK A   1      -2.974   7.519  -2.312  1.00  0.00           H  
HETATM  104  H   UNK A   1      -4.544   5.791  -1.618  1.00  0.00           H  
HETATM  105  H   UNK A   1      -2.683   1.671   1.001  1.00  0.00           H  
HETATM  106  H   UNK A   1      -1.106   0.944   1.600  1.00  0.00           H  
HETATM  107  H   UNK A   1       1.077   0.152   2.411  1.00  0.00           H  
HETATM  108  H   UNK A   1       0.412   4.953   1.487  1.00  0.00           H  
HETATM  109  H   UNK A   1       2.587   4.141   2.299  1.00  0.00           H  
HETATM  110  H   UNK A   1       3.776   2.394   3.489  1.00  0.00           H  
HETATM  111  H   UNK A   1       3.147   0.729   3.531  1.00  0.00           H  
HETATM  112  H   UNK A   1       3.806   1.363   0.859  1.00  0.00           H  
HETATM  113  H   UNK A   1       5.781  -0.351   0.210  1.00  0.00           H  
HETATM  114  H   UNK A   1       5.500   2.076  -0.373  1.00  0.00           H  
HETATM  115  H   UNK A   1       7.030   2.421   0.470  1.00  0.00           H  
HETATM  116  H   UNK A   1       7.887   0.235   2.147  1.00  0.00           H  
HETATM  117  H   UNK A   1       9.497  -1.916   1.939  1.00  0.00           H  
HETATM  118  H   UNK A   1      10.698   0.386   0.335  1.00  0.00           H  
HETATM  119  H   UNK A   1      10.109   0.486   2.011  1.00  0.00           H  
HETATM  120  H   UNK A   1       9.994  -2.149  -0.929  1.00  0.00           H  
HETATM  121  H   UNK A   1      12.968  -5.157   0.770  1.00  0.00           H  
HETATM  122  H   UNK A   1      13.941  -6.601  -0.998  1.00  0.00           H  
HETATM  123  H   UNK A   1      10.676  -3.194  -2.286  1.00  0.00           H  
HETATM  124  H   UNK A   1       8.014   2.408  -3.191  1.00  0.00           H  
HETATM  125  H   UNK A   1      13.878   0.349   2.397  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   75                                                 
CONECT    4    2    5   76   77                                       
CONECT    5    4    6   78   79                                       
CONECT    6    7    5   10   80                                       
CONECT    7    9    9    8    6                                       
CONECT    8    7   81                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   82                                            
CONECT   11   12   12   10   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   83                                            
CONECT   14   18   13   15   84                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   85                                                 
CONECT   18   19   14   86   87                                       
CONECT   19   18   20   88   89                                       
CONECT   20   19   21   90   91                                       
CONECT   21   22   20   92   93                                       
CONECT   22   23   21   94                                            
CONECT   23   25   22   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   26   37   23   95                                       
CONECT   26   25   27   96   97                                       
CONECT   27   36   26   28   28                                       
CONECT   28   27   27   29   98                                       
CONECT   29   34   28   30   30                                       
CONECT   30   29   29   31   99                                       
CONECT   31   32   32   30  100                                       
CONECT   32   33   31   31  101                                       
CONECT   33   34   34   32  102                                       
CONECT   34   35   33   33   29                                       
CONECT   35   36   36   34  103                                       
CONECT   36   35   35   27  104                                       
CONECT   37   38   25  105                                            
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   43   43                                       
CONECT   41   42   42   40  106                                       
CONECT   42   41   41   45  107                                       
CONECT   43   40   40   44  108                                       
CONECT   44   45   45   43  109                                       
CONECT   45   42   46   44   44                                       
CONECT   46   45   47  110  111                                       
CONECT   47   46   48  112                                            
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   56   51  113                                       
CONECT   51   50   52  114  115                                       
CONECT   52   53   53   51   55                                       
CONECT   52   55   54                                                 
CONECT   53   52   52                                                 
CONECT   54   52  124                                                 
CONECT   55   52   52                                                 
CONECT   56   50   57  116                                            
CONECT   57   59   56   58   58                                       
CONECT   58   57   57                                                 
CONECT   59   60   57   65  117                                       
CONECT   60   61   59  118  119                                       
CONECT   61   63   63   62   62                                       
CONECT   61   60   64                                                 
CONECT   62   61   61                                                 
CONECT   63   61   61                                                 
CONECT   64   61  125                                                 
CONECT   65   59   66  120                                            
CONECT   66   65   68   67   67                                       
CONECT   67   66   66                                                 
CONECT   68   74   66   69   69                                       
CONECT   69   68   68   70  121                                       
CONECT   70   71   71   69  122                                       
CONECT   71   73   72   70   70                                       
CONECT   72   71                                                      
CONECT   73   74   74   71                                            
CONECT   74   73   73   68  123                                       
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    5                                                      
CONECT   80    6                                                      
CONECT   81    8                                                      
CONECT   82   10                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   19                                                      
CONECT   89   19                                                      
CONECT   90   20                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   21                                                      
CONECT   94   22                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   26                                                      
CONECT   98   28                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   33                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   46                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   56                                                      
CONECT  117   59                                                      
CONECT  118   60                                                      
CONECT  119   60                                                      
CONECT  120   65                                                      
CONECT  121   69                                                      
CONECT  122   70                                                      
CONECT  123   74                                                      
CONECT  124   54                                                      
CONECT  125   64                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
