COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -16.987  -8.842  -0.837  1.00  0.00           C  
HETATM    2  C   UNL     1     -16.442  -7.436  -1.094  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.018  -7.332  -0.545  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.473  -5.926  -0.802  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.049  -5.823  -0.253  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.503  -4.417  -0.510  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.079  -4.313   0.039  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.534  -2.907  -0.219  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.110  -2.803   0.331  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.565  -1.397   0.073  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.141  -1.294   0.623  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.596   0.113   0.365  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.171   0.216   0.914  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.627   1.622   0.657  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.202   1.726   1.206  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.345   0.848   0.474  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.703   3.165   1.062  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.561   4.042   1.794  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.279   3.268   1.611  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.830   4.731   1.593  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.958   5.252   0.269  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.563   6.620   0.141  1.00  0.00           C  
HETATM   23  O   UNL     1       0.855   6.721   0.289  1.00  0.00           O  
HETATM   24  C   UNL     1       1.597   5.957  -0.663  1.00  0.00           C  
HETATM   25  C   UNL     1       3.094   6.119  -0.392  1.00  0.00           C  
HETATM   26  O   UNL     1       3.412   5.551   0.881  1.00  0.00           O  
HETATM   27  C   UNL     1       1.277   6.453  -2.075  1.00  0.00           C  
HETATM   28  O   UNL     1       1.684   7.816  -2.206  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.231   6.343  -2.317  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.549   6.872  -3.606  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.970   7.142  -1.239  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.380   6.988  -1.411  1.00  0.00           O  
HETATM   33  N   UNL     1      -0.375   2.470   0.778  1.00  0.00           N  
HETATM   34  C   UNL     1       0.772   1.990   1.298  1.00  0.00           C  
HETATM   35  O   UNL     1       1.056   2.219   2.454  1.00  0.00           O  
HETATM   36  C   UNL     1       1.701   1.169   0.441  1.00  0.00           C  
HETATM   37  C   UNL     1       2.920   0.752   1.266  1.00  0.00           C  
HETATM   38  C   UNL     1       3.864  -0.082   0.397  1.00  0.00           C  
HETATM   39  C   UNL     1       5.082  -0.500   1.222  1.00  0.00           C  
HETATM   40  C   UNL     1       6.026  -1.333   0.353  1.00  0.00           C  
HETATM   41  C   UNL     1       7.245  -1.750   1.178  1.00  0.00           C  
HETATM   42  C   UNL     1       8.188  -2.584   0.309  1.00  0.00           C  
HETATM   43  C   UNL     1       9.407  -3.001   1.134  1.00  0.00           C  
HETATM   44  C   UNL     1      10.351  -3.835   0.265  1.00  0.00           C  
HETATM   45  C   UNL     1      11.569  -4.252   1.090  1.00  0.00           C  
HETATM   46  C   UNL     1      12.499  -5.073   0.234  1.00  0.00           C  
HETATM   47  C   UNL     1      12.351  -6.447   0.174  1.00  0.00           C  
HETATM   48  C   UNL     1      13.202  -7.201  -0.611  1.00  0.00           C  
HETATM   49  C   UNL     1      14.204  -6.580  -1.338  1.00  0.00           C  
HETATM   50  F   UNL     1      15.037  -7.316  -2.106  1.00  0.00           F  
HETATM   51  C   UNL     1      14.351  -5.204  -1.278  1.00  0.00           C  
HETATM   52  C   UNL     1      13.495  -4.452  -0.496  1.00  0.00           C  
HETATM   53  H   UNL     1     -18.002  -8.916  -1.228  1.00  0.00           H  
HETATM   54  H   UNL     1     -16.352  -9.575  -1.335  1.00  0.00           H  
HETATM   55  H   UNL     1     -16.996  -9.038   0.235  1.00  0.00           H  
HETATM   56  H   UNL     1     -16.433  -7.240  -2.166  1.00  0.00           H  
HETATM   57  H   UNL     1     -17.077  -6.703  -0.596  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.027  -7.528   0.527  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.382  -8.065  -1.043  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.464  -5.731  -1.875  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.108  -5.194  -0.305  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.057  -6.018   0.819  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.413  -6.555  -0.751  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.495  -4.221  -1.583  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.139  -3.684  -0.013  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.088  -4.509   1.111  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.444  -5.046  -0.459  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.525  -2.711  -1.291  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.170  -2.174   0.279  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.119  -2.999   1.403  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.475  -3.536  -0.167  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.556  -1.201  -0.999  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.200  -0.664   0.571  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.150  -1.489   1.695  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.505  -2.026   0.125  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.587   0.308  -0.707  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.231   0.845   0.863  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.180   0.020   1.987  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.536  -0.516   0.417  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.618   1.818  -0.415  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.262   2.355   1.155  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.197   1.444   2.259  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.300   1.041  -0.473  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.708   3.447   0.009  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.665   3.804   2.725  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.256   2.894   2.634  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.454   5.311   2.273  1.00  0.00           H  
HETATM   88  H   UNL     1       0.211   4.795   1.910  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.052   7.213   0.914  1.00  0.00           H  
HETATM   90  H   UNL     1       1.324   4.905  -0.576  1.00  0.00           H  
HETATM   91  H   UNL     1       3.662   5.608  -1.170  1.00  0.00           H  
HETATM   92  H   UNL     1       3.351   7.178  -0.391  1.00  0.00           H  
HETATM   93  H   UNL     1       4.347   5.618   1.119  1.00  0.00           H  
HETATM   94  H   UNL     1       1.808   5.842  -2.805  1.00  0.00           H  
HETATM   95  H   UNL     1       1.511   8.197  -3.078  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.534   5.297  -2.266  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.490   6.835  -3.826  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.705   8.197  -1.321  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.911   7.468  -0.761  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.603   2.287  -0.147  1.00  0.00           H  
HETATM  101  H   UNL     1       1.179   0.280   0.088  1.00  0.00           H  
HETATM  102  H   UNL     1       2.027   1.762  -0.413  1.00  0.00           H  
HETATM  103  H   UNL     1       3.442   1.641   1.619  1.00  0.00           H  
HETATM  104  H   UNL     1       2.594   0.158   2.121  1.00  0.00           H  
HETATM  105  H   UNL     1       3.342  -0.971   0.044  1.00  0.00           H  
HETATM  106  H   UNL     1       4.189   0.511  -0.458  1.00  0.00           H  
HETATM  107  H   UNL     1       5.604   0.390   1.575  1.00  0.00           H  
HETATM  108  H   UNL     1       4.757  -1.093   2.077  1.00  0.00           H  
HETATM  109  H   UNL     1       5.504  -2.223   0.000  1.00  0.00           H  
HETATM  110  H   UNL     1       6.352  -0.740  -0.502  1.00  0.00           H  
HETATM  111  H   UNL     1       7.766  -0.861   1.531  1.00  0.00           H  
HETATM  112  H   UNL     1       6.919  -2.344   2.033  1.00  0.00           H  
HETATM  113  H   UNL     1       7.666  -3.473  -0.044  1.00  0.00           H  
HETATM  114  H   UNL     1       8.514  -1.991  -0.546  1.00  0.00           H  
HETATM  115  H   UNL     1       9.929  -2.112   1.487  1.00  0.00           H  
HETATM  116  H   UNL     1       9.081  -3.595   1.989  1.00  0.00           H  
HETATM  117  H   UNL     1       9.829  -4.724  -0.088  1.00  0.00           H  
HETATM  118  H   UNL     1      10.676  -3.242  -0.590  1.00  0.00           H  
HETATM  119  H   UNL     1      12.091  -3.363   1.443  1.00  0.00           H  
HETATM  120  H   UNL     1      11.243  -4.846   1.944  1.00  0.00           H  
HETATM  121  H   UNL     1      11.569  -6.931   0.742  1.00  0.00           H  
HETATM  122  H   UNL     1      13.087  -8.273  -0.657  1.00  0.00           H  
HETATM  123  H   UNL     1      15.132  -4.719  -1.845  1.00  0.00           H  
HETATM  124  H   UNL     1      13.607  -3.379  -0.452  1.00  0.00           H  
CONECT    1    2   53   54   55                                       
CONECT    2    3    1   56   57                                       
CONECT    3    4    2   58   59                                       
CONECT    4    5    3   60   61                                       
CONECT    5    6    4   62   63                                       
CONECT    6    7    5   64   65                                       
CONECT    7    8    6   66   67                                       
CONECT    8    9    7   68   69                                       
CONECT    9    8   10   70   71                                       
CONECT   10    9   11   72   73                                       
CONECT   11   12   10   74   75                                       
CONECT   12   11   13   76   77                                       
CONECT   13   12   14   78   79                                       
CONECT   14   13   15   80   81                                       
CONECT   15   14   16   17   82                                       
CONECT   16   15   83                                                 
CONECT   17   15   19   18   84                                       
CONECT   18   17   85                                                 
CONECT   19   33   20   17   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   31   89                                       
CONECT   23   24   22                                                 
CONECT   24   25   27   23   90                                       
CONECT   25   26   24   91   92                                       
CONECT   26   25   93                                                 
CONECT   27   24   29   28   94                                       
CONECT   28   27   95                                                 
CONECT   29   27   30   31   96                                       
CONECT   30   29   97                                                 
CONECT   31   29   22   32   98                                       
CONECT   32   31   99                                                 
CONECT   33   34   19  100                                            
CONECT   34   36   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   37   34  101  102                                       
CONECT   37   38   36  103  104                                       
CONECT   38   39   37  105  106                                       
CONECT   39   40   38  107  108                                       
CONECT   40   41   39  109  110                                       
CONECT   41   42   40  111  112                                       
CONECT   42   43   41  113  114                                       
CONECT   43   44   42  115  116                                       
CONECT   44   45   43  117  118                                       
CONECT   45   44   46  119  120                                       
CONECT   46   47   45   52   52                                       
CONECT   47   48   48   46  121                                       
CONECT   48   47   47   49  122                                       
CONECT   49   48   50   51   51                                       
CONECT   50   49                                                      
CONECT   51   49   49   52  123                                       
CONECT   52   46   46   51  124                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   22                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   38                                                      
CONECT  107   39                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   43                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   51                                                      
CONECT  124   52                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
