COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       5.098   0.470  -1.780  1.00  0.00           C  
HETATM    2  C   UNK     1       7.522   0.661  -1.204  1.00  0.00           C  
HETATM    3  C   UNK     1       5.088  -3.362  -0.035  1.00  0.00           C  
HETATM    4  C   UNK     1       3.603  -1.627   0.952  1.00  0.00           C  
HETATM    5  C   UNK     1       1.168  -1.781   0.693  1.00  0.00           C  
HETATM    6  C   UNK     1      -1.953   0.391  -1.688  1.00  0.00           C  
HETATM    7  C   UNK     1       0.514   0.450  -2.105  1.00  0.00           C  
HETATM    8  C   UNK     1       4.060   1.013   2.134  1.00  0.00           C  
HETATM    9  C   UNK     1       5.090   3.014   1.048  1.00  0.00           C  
HETATM   10  C   UNK     1       6.280   3.905   1.381  1.00  0.00           C  
HETATM   11  C   UNK     1       6.932   3.305   2.637  1.00  0.00           C  
HETATM   12  C   UNK     1       6.299   1.914   2.785  1.00  0.00           C  
HETATM   13  C   UNK     1       5.252   2.421  -0.341  1.00  0.00           C  
HETATM   14  C   UNK     1       6.474   0.898  -2.294  1.00  0.00           C  
HETATM   15  C   UNK     1       6.834   0.077  -3.534  1.00  0.00           C  
HETATM   16  C   UNK     1       5.084  -1.008  -1.508  1.00  0.00           C  
HETATM   17  C   UNK     1       3.801  -2.554  -0.218  1.00  0.00           C  
HETATM   18  C   UNK     1       4.938  -4.294   1.169  1.00  0.00           C  
HETATM   19  C   UNK     1       5.352  -4.191  -1.293  1.00  0.00           C  
HETATM   20  C   UNK     1       0.080  -0.759   0.482  1.00  0.00           C  
HETATM   21  C   UNK     1      -2.155  -0.143  -0.268  1.00  0.00           C  
HETATM   22  C   UNK     1      -0.641   1.128  -1.766  1.00  0.00           C  
HETATM   23  C   UNK     1       1.717   1.126  -2.177  1.00  0.00           C  
HETATM   24  C   UNK     1       1.765   2.482  -1.909  1.00  0.00           C  
HETATM   25  C   UNK     1       0.610   3.161  -1.570  1.00  0.00           C  
HETATM   26  C   UNK     1      -0.594   2.484  -1.498  1.00  0.00           C  
HETATM   27  C   UNK     1      -3.519  -0.773  -0.157  1.00  0.00           C  
HETATM   28  C   UNK     1      -5.950  -0.616  -0.173  1.00  0.00           C  
HETATM   29  C   UNK     1      -6.340  -1.460  -1.389  1.00  0.00           C  
HETATM   30  C   UNK     1      -7.646  -2.161  -1.117  1.00  0.00           C  
HETATM   31  C   UNK     1      -6.958   0.488   0.015  1.00  0.00           C  
HETATM   32  C   UNK     1      -8.553   1.801   1.153  1.00  0.00           C  
HETATM   33  C   UNK     1      -9.922   1.254   1.470  1.00  0.00           C  
HETATM   34  C   UNK     1      -8.609   2.564  -0.180  1.00  0.00           C  
HETATM   35  C   UNK     1       0.687  -2.840   1.687  1.00  0.00           C  
HETATM   36  C   UNK     1       1.793  -3.875   1.904  1.00  0.00           C  
HETATM   37  C   UNK     1       0.346  -2.171   3.020  1.00  0.00           C  
HETATM   38  C   UNK     1       4.302  -0.324   2.789  1.00  0.00           C  
HETATM   39  N   UNK     1       5.065   1.903   2.004  1.00  0.00           N  
HETATM   40  N   UNK     1       4.809   1.132  -0.481  1.00  0.00           N  
HETATM   41  N   UNK     1       3.908  -1.689  -1.427  1.00  0.00           N  
HETATM   42  N   UNK     1       2.363  -1.119   1.224  1.00  0.00           N  
HETATM   43  N   UNK     1      -1.128  -1.145   0.027  1.00  0.00           N  
HETATM   44  N   UNK     1      -4.623  -0.035  -0.387  1.00  0.00           N  
HETATM   45  N   UNK     1      -7.609   0.708   1.089  1.00  0.00           N  
HETATM   46  N   UNK     1       4.615  -1.294   1.707  1.00  0.00           N  
HETATM   47  O   UNK     1       2.954   1.290   1.721  1.00  0.00           O  
HETATM   48  O   UNK     1      -8.156  -2.084  -0.024  1.00  0.00           O  
HETATM   49  O   UNK     1      -8.242  -2.869  -2.088  1.00  0.00           O  
HETATM   50  O   UNK     1     -10.159   0.082   1.298  1.00  0.00           O  
HETATM   51  O   UNK     1     -10.877   2.070   1.945  1.00  0.00           O  
HETATM   52  O   UNK     1      -3.623  -1.944   0.139  1.00  0.00           O  
HETATM   53  O   UNK     1       0.292   0.411   0.722  1.00  0.00           O  
HETATM   54  O   UNK     1       6.132  -1.600  -1.359  1.00  0.00           O  
HETATM   55  O   UNK     1       5.738   3.044  -1.260  1.00  0.00           O  
HETATM   56  S   UNK     1      -7.405   1.674  -1.217  1.00  0.00           S  
HETATM   57  H   UNK     1       4.330   0.724  -2.511  1.00  0.00           H  
HETATM   58  H   UNK     1       7.633  -0.410  -1.034  1.00  0.00           H  
HETATM   59  H   UNK     1       8.476   1.080  -1.520  1.00  0.00           H  
HETATM   60  H   UNK     1       7.201   1.144  -0.281  1.00  0.00           H  
HETATM   61  H   UNK     1       5.923  -2.682   0.134  1.00  0.00           H  
HETATM   62  H   UNK     1       1.408  -2.257  -0.257  1.00  0.00           H  
HETATM   63  H   UNK     1      -1.944  -0.442  -2.391  1.00  0.00           H  
HETATM   64  H   UNK     1      -2.767   1.070  -1.939  1.00  0.00           H  
HETATM   65  H   UNK     1       0.477  -0.610  -2.310  1.00  0.00           H  
HETATM   66  H   UNK     1       4.160   3.575   1.095  1.00  0.00           H  
HETATM   67  H   UNK     1       6.991   3.906   0.554  1.00  0.00           H  
HETATM   68  H   UNK     1       5.942   4.922   1.584  1.00  0.00           H  
HETATM   69  H   UNK     1       8.010   3.219   2.500  1.00  0.00           H  
HETATM   70  H   UNK     1       6.709   3.919   3.510  1.00  0.00           H  
HETATM   71  H   UNK     1       6.983   1.154   2.406  1.00  0.00           H  
HETATM   72  H   UNK     1       6.075   1.720   3.834  1.00  0.00           H  
HETATM   73  H   UNK     1       6.452   1.956  -2.553  1.00  0.00           H  
HETATM   74  H   UNK     1       6.775  -0.985  -3.296  1.00  0.00           H  
HETATM   75  H   UNK     1       6.135   0.308  -4.338  1.00  0.00           H  
HETATM   76  H   UNK     1       7.847   0.323  -3.851  1.00  0.00           H  
HETATM   77  H   UNK     1       2.948  -3.226  -0.313  1.00  0.00           H  
HETATM   78  H   UNK     1       5.854  -4.870   1.299  1.00  0.00           H  
HETATM   79  H   UNK     1       4.749  -3.703   2.065  1.00  0.00           H  
HETATM   80  H   UNK     1       4.102  -4.974   0.999  1.00  0.00           H  
HETATM   81  H   UNK     1       5.365  -3.536  -2.164  1.00  0.00           H  
HETATM   82  H   UNK     1       6.315  -4.694  -1.201  1.00  0.00           H  
HETATM   83  H   UNK     1       4.564  -4.935  -1.410  1.00  0.00           H  
HETATM   84  H   UNK     1      -2.075   0.679   0.444  1.00  0.00           H  
HETATM   85  H   UNK     1       2.620   0.596  -2.442  1.00  0.00           H  
HETATM   86  H   UNK     1       2.706   3.010  -1.965  1.00  0.00           H  
HETATM   87  H   UNK     1       0.647   4.219  -1.361  1.00  0.00           H  
HETATM   88  H   UNK     1      -1.496   3.014  -1.233  1.00  0.00           H  
HETATM   89  H   UNK     1      -5.932  -1.247   0.716  1.00  0.00           H  
HETATM   90  H   UNK     1      -6.449  -0.813  -2.260  1.00  0.00           H  
HETATM   91  H   UNK     1      -5.563  -2.200  -1.581  1.00  0.00           H  
HETATM   92  H   UNK     1      -8.251   2.488   1.943  1.00  0.00           H  
HETATM   93  H   UNK     1      -9.607   2.511  -0.616  1.00  0.00           H  
HETATM   94  H   UNK     1      -8.306   3.602  -0.042  1.00  0.00           H  
HETATM   95  H   UNK     1      -0.200  -3.333   1.291  1.00  0.00           H  
HETATM   96  H   UNK     1       2.702  -3.372   2.232  1.00  0.00           H  
HETATM   97  H   UNK     1       1.478  -4.589   2.665  1.00  0.00           H  
HETATM   98  H   UNK     1       1.986  -4.401   0.969  1.00  0.00           H  
HETATM   99  H   UNK     1      -0.380  -1.376   2.852  1.00  0.00           H  
HETATM  100  H   UNK     1      -0.076  -2.911   3.700  1.00  0.00           H  
HETATM  101  H   UNK     1       1.251  -1.750   3.457  1.00  0.00           H  
HETATM  102  H   UNK     1       5.143  -0.253   3.478  1.00  0.00           H  
HETATM  103  H   UNK     1       3.408  -0.642   3.325  1.00  0.00           H  
HETATM  104  H   UNK     1       4.331   0.676   0.229  1.00  0.00           H  
HETATM  105  H   UNK     1       3.206  -1.619  -2.093  1.00  0.00           H  
HETATM  106  H   UNK     1       2.274  -0.322   1.769  1.00  0.00           H  
HETATM  107  H   UNK     1      -1.318  -2.087  -0.105  1.00  0.00           H  
HETATM  108  H   UNK     1      -4.538   0.881  -0.694  1.00  0.00           H  
HETATM  109  H   UNK     1      -9.078  -3.301  -1.866  1.00  0.00           H  
HETATM  110  H   UNK     1     -11.738   1.674   2.133  1.00  0.00           H  
CONECT    1   14   16   40   57                                       
CONECT    2   14   58   59   60                                       
CONECT    3   17   18   19   61                                       
CONECT    4   17   42   46   46                                       
CONECT    5   20   35   42   62                                       
CONECT    6   21   22   63   64                                       
CONECT    7   22   22   23   65                                       
CONECT    8   38   39   47   47                                       
CONECT    9   10   13   39   66                                       
CONECT   10    9   11   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   39   71   72                                       
CONECT   13    9   40   55   55                                       
CONECT   14    1    2   15   73                                       
CONECT   15   14   74   75   76                                       
CONECT   16    1   41   54   54                                       
CONECT   17    3    4   41   77                                       
CONECT   18    3   78   79   80                                       
CONECT   19    3   81   82   83                                       
CONECT   20    5   43   53   53                                       
CONECT   21    6   27   43   84                                       
CONECT   22    6    7    7   26                                       
CONECT   23    7   24   24   85                                       
CONECT   24   23   23   25   86                                       
CONECT   25   24   26   26   87                                       
CONECT   26   22   25   25   88                                       
CONECT   27   21   44   52   52                                       
CONECT   28   29   31   44   89                                       
CONECT   29   28   30   90   91                                       
CONECT   30   29   48   48   49                                       
CONECT   31   28   45   45   56                                       
CONECT   32   33   45   92   34                                       
CONECT   33   32   50   50   51                                       
CONECT   34   56   93   94   32                                       
CONECT   35    5   36   37   95                                       
CONECT   36   35   96   97   98                                       
CONECT   37   35   99  100  101                                       
CONECT   38    8   46  102  103                                       
CONECT   39    8    9   12                                            
CONECT   40    1   13  104                                            
CONECT   41   16   17  105                                            
CONECT   42    4    5  106                                            
CONECT   43   20   21  107                                            
CONECT   44   27   28  108                                            
CONECT   45   31   31   32                                            
CONECT   46    4    4   38                                            
CONECT   47    8    8                                                 
CONECT   48   30   30                                                 
CONECT   49   30  109                                                 
CONECT   50   33   33                                                 
CONECT   51   33  110                                                 
CONECT   52   27   27                                                 
CONECT   53   20   20                                                 
CONECT   54   16   16                                                 
CONECT   55   13   13                                                 
CONECT   56   31   34                                                 
CONECT   57    1                                                      
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   21                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   32                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   44                                                      
CONECT  109   49                                                      
CONECT  110   51                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
