COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.958   4.101   3.606  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.801   1.602  -4.152  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.675   1.273  -5.156  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.754   2.871  -3.788  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.450  -0.744   0.116  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.553  -1.651  -0.681  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.634  -2.587  -1.336  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.429  -3.235  -2.205  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.159  -2.724  -1.265  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.474  -1.988  -0.305  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.083  -2.041  -0.265  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.527   3.533   2.258  1.00  0.00           C  
HETATM   13  C   UNL     1       0.615  -2.859  -1.174  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.095  -3.622  -2.096  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.461  -3.553  -2.142  1.00  0.00           C  
HETATM   16  C   UNL     1       3.046  -3.358  -1.642  1.00  0.00           C  
HETATM   17  C   UNL     1       3.375  -4.689  -0.963  1.00  0.00           C  
HETATM   18  C   UNL     1       2.133  -1.816   0.131  1.00  0.00           C  
HETATM   19  C   UNL     1       3.451  -1.431   0.682  1.00  0.00           C  
HETATM   20  C   UNL     1       4.034  -2.175   1.709  1.00  0.00           C  
HETATM   21  C   UNL     1       3.312  -3.376   2.262  1.00  0.00           C  
HETATM   22  C   UNL     1       3.631  -5.752   2.250  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.648   2.271   3.710  1.00  0.00           C  
HETATM   24  C   UNL     1       2.723  -3.031   3.632  1.00  0.00           C  
HETATM   25  C   UNL     1       5.881  -0.797   1.749  1.00  0.00           C  
HETATM   26  C   UNL     1       5.368   0.000   0.732  1.00  0.00           C  
HETATM   27  C   UNL     1       6.316   1.021  -1.177  1.00  0.00           C  
HETATM   28  C   UNL     1       7.031   2.287  -1.653  1.00  0.00           C  
HETATM   29  C   UNL     1       9.054   3.596  -1.412  1.00  0.00           C  
HETATM   30  C   UNL     1       8.356   4.525  -2.407  1.00  0.00           C  
HETATM   31  C   UNL     1       9.480   3.602  -2.882  1.00  0.00           C  
HETATM   32  C   UNL     1       8.071   2.518   0.521  1.00  0.00           C  
HETATM   33  C   UNL     1       7.355   1.252   0.997  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.540   2.987   4.476  1.00  0.00           C  
HETATM   35  C   UNL     1       4.133  -0.319   0.179  1.00  0.00           C  
HETATM   36  C   UNL     1       0.925  -1.383   0.574  1.00  0.00           C  
HETATM   37  C   UNL     1       0.653  -0.457   1.719  1.00  0.00           C  
HETATM   38  C   UNL     1       0.437   0.992   1.290  1.00  0.00           C  
HETATM   39  C   UNL     1       1.781   1.656   0.976  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.469   1.078   0.065  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.214   1.734   2.465  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.488   2.467   2.452  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.431   0.777   1.795  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.805   0.622   0.342  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.761   1.226  -1.770  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.556   1.304  -2.671  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.182   2.677  -3.231  1.00  0.00           C  
HETATM   48  N   UNL     1      -4.712   2.999   1.545  1.00  0.00           N  
HETATM   49  N   UNL     1      -5.263   1.999   2.332  1.00  0.00           N  
HETATM   50  N   UNL     1      -4.625   0.806  -0.496  1.00  0.00           N  
HETATM   51  N   UNL     1      -4.285  -1.773  -0.513  1.00  0.00           N  
HETATM   52  N   UNL     1       1.959  -2.696  -0.917  1.00  0.00           N  
HETATM   53  N   UNL     1       5.209  -1.839   2.199  1.00  0.00           N  
HETATM   54  N   UNL     1       6.085   1.108   0.272  1.00  0.00           N  
HETATM   55  N   UNL     1       8.301   2.431  -0.928  1.00  0.00           N  
HETATM   56  O   UNL     1      -5.333  -0.212   2.484  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.854   1.543  -2.190  1.00  0.00           O  
HETATM   58  O   UNL     1      -1.454   1.635  -4.473  1.00  0.00           O  
HETATM   59  O   UNL     1       4.230  -4.463   2.399  1.00  0.00           O  
HETATM   60  O   UNL     1      -1.232   2.651   2.009  1.00  0.00           O  
HETATM   61  O   UNL     1      -2.772   1.426   3.000  1.00  0.00           O  
HETATM   62  S   UNL     1      -6.086  -2.697  -1.929  1.00  0.00           S  
HETATM   63  H   UNL     1      -3.095   4.542   4.112  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.714   4.872   3.453  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.822   1.658  -4.531  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.676   0.209  -5.392  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.791   1.865  -6.064  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.729   3.707  -4.486  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.047   3.035  -2.975  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.393  -0.612  -0.428  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.674  -1.212   1.077  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.114  -3.960  -2.942  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.018  -1.375   0.397  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.110   4.342   1.646  1.00  0.00           H  
HETATM   75  H   UNL     1       0.431  -4.271  -2.779  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.998  -4.149  -2.865  1.00  0.00           H  
HETATM   77  H   UNL     1       3.929  -2.719  -1.636  1.00  0.00           H  
HETATM   78  H   UNL     1       2.737  -3.542  -2.671  1.00  0.00           H  
HETATM   79  H   UNL     1       4.184  -5.182  -1.502  1.00  0.00           H  
HETATM   80  H   UNL     1       3.684  -4.505   0.067  1.00  0.00           H  
HETATM   81  H   UNL     1       2.492  -5.328  -0.969  1.00  0.00           H  
HETATM   82  H   UNL     1       2.509  -3.662   1.583  1.00  0.00           H  
HETATM   83  H   UNL     1       2.860  -5.884   3.009  1.00  0.00           H  
HETATM   84  H   UNL     1       3.183  -5.832   1.260  1.00  0.00           H  
HETATM   85  H   UNL     1       4.393  -6.522   2.368  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.882   1.329   4.213  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.546   2.895   3.718  1.00  0.00           H  
HETATM   88  H   UNL     1       3.526  -2.745   4.311  1.00  0.00           H  
HETATM   89  H   UNL     1       2.023  -2.202   3.527  1.00  0.00           H  
HETATM   90  H   UNL     1       2.200  -3.899   4.032  1.00  0.00           H  
HETATM   91  H   UNL     1       6.840  -0.555   2.183  1.00  0.00           H  
HETATM   92  H   UNL     1       5.360   0.928  -1.692  1.00  0.00           H  
HETATM   93  H   UNL     1       6.933   0.150  -1.395  1.00  0.00           H  
HETATM   94  H   UNL     1       7.229   2.212  -2.723  1.00  0.00           H  
HETATM   95  H   UNL     1       6.401   3.155  -1.460  1.00  0.00           H  
HETATM   96  H   UNL     1       9.733   4.050  -0.690  1.00  0.00           H  
HETATM   97  H   UNL     1       7.338   4.273  -2.702  1.00  0.00           H  
HETATM   98  H   UNL     1       8.575   5.591  -2.339  1.00  0.00           H  
HETATM   99  H   UNL     1      10.438   4.060  -3.127  1.00  0.00           H  
HETATM  100  H   UNL     1       9.200   2.741  -3.490  1.00  0.00           H  
HETATM  101  H   UNL     1       7.452   3.389   0.739  1.00  0.00           H  
HETATM  102  H   UNL     1       9.026   2.612   1.036  1.00  0.00           H  
HETATM  103  H   UNL     1       7.985   0.384   0.804  1.00  0.00           H  
HETATM  104  H   UNL     1       7.157   1.327   2.066  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.761   2.278   4.747  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.957   3.423   5.387  1.00  0.00           H  
HETATM  107  H   UNL     1       3.712   0.276  -0.618  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.246  -0.806   2.242  1.00  0.00           H  
HETATM  109  H   UNL     1       1.485  -0.498   2.428  1.00  0.00           H  
HETATM  110  H   UNL     1       2.274   1.114   0.168  1.00  0.00           H  
HETATM  111  H   UNL     1       1.613   2.689   0.671  1.00  0.00           H  
HETATM  112  H   UNL     1       2.412   1.637   1.864  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.417   0.584   0.279  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.651   2.124  -0.180  1.00  0.00           H  
HETATM  115  H   UNL     1       0.014   0.586  -0.779  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.646   1.002   3.148  1.00  0.00           H  
HETATM  117  H   UNL     1       0.561   2.291   2.996  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.534   1.405   0.097  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.741   0.623  -2.424  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.731   3.566  -2.919  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.422   3.782   1.691  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.742   0.625  -0.138  1.00  0.00           H  
CONECT    1   34   12   63   64                                       
CONECT    2   47   46    3   65                                       
CONECT    3    2   58   66   67                                       
CONECT    4   47   58   68   69                                       
CONECT    5   44    6   70   71                                       
CONECT    6   51   51    5   62                                       
CONECT    7    9   51    8    8                                       
CONECT    8    7    7   62   72                                       
CONECT    9   10   10   15    7                                       
CONECT   10   11    9    9   73                                       
CONECT   11   36   13   13   10                                       
CONECT   12   42    1   48   74                                       
CONECT   13   52   11   11   14                                       
CONECT   14   13   15   15   75                                       
CONECT   15   14   14    9   76                                       
CONECT   16   52   17   77   78                                       
CONECT   17   16   79   80   81                                       
CONECT   18   19   36   36   52                                       
CONECT   19   20   35   35   18                                       
CONECT   20   21   53   53   19                                       
CONECT   21   24   59   20   82                                       
CONECT   22   59   83   84   85                                       
CONECT   23   34   49   86   87                                       
CONECT   24   21   88   89   90                                       
CONECT   25   53   26   26   91                                       
CONECT   26   25   25   54   35                                       
CONECT   27   54   28   92   93                                       
CONECT   28   55   27   94   95                                       
CONECT   29   55   31   30   96                                       
CONECT   30   29   31   97   98                                       
CONECT   31   29   30   99  100                                       
CONECT   32   33   55  101  102                                       
CONECT   33   32   54  103  104                                       
CONECT   34    1   23  105  106                                       
CONECT   35   26   19   19  107                                       
CONECT   36   37   18   18   11                                       
CONECT   37   38   36  108  109                                       
CONECT   38   39   40   41   37                                       
CONECT   39   38  110  111  112                                       
CONECT   40   38  113  114  115                                       
CONECT   41   38   60  116  117                                       
CONECT   42   61   61   60   12                                       
CONECT   43   49   56   56   44                                       
CONECT   44   43   50    5  118                                       
CONECT   45   57   57   50   46                                       
CONECT   46   47   45    2  119                                       
CONECT   47    2    4   46  120                                       
CONECT   48   12   49  121                                            
CONECT   49   23   48   43                                            
CONECT   50   45   44  122                                            
CONECT   51    7    6    6                                            
CONECT   52   18   16   13                                            
CONECT   53   20   20   25                                            
CONECT   54   26   33   27                                            
CONECT   55   32   29   28                                            
CONECT   56   43   43                                                 
CONECT   57   45   45                                                 
CONECT   58    4    3                                                 
CONECT   59   22   21                                                 
CONECT   60   41   42                                                 
CONECT   61   42   42                                                 
CONECT   62    6    8                                                 
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    3                                                      
CONECT   67    3                                                      
CONECT   68    4                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    5                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   12                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   39                                                      
CONECT  113   40                                                      
CONECT  114   40                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   41                                                      
CONECT  118   44                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   50                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
