COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.420   1.454  -2.249  1.00  0.00           C  
HETATM    2  C   UNL     1       8.089  -0.131   0.620  1.00  0.00           C  
HETATM    3  C   UNL     1       9.275   0.632   1.247  1.00  0.00           C  
HETATM    4  C   UNL     1       2.822   0.615   1.559  1.00  0.00           C  
HETATM    5  C   UNL     1       2.867   2.063   2.050  1.00  0.00           C  
HETATM    6  C   UNL     1       2.447   1.361  -0.777  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.377  -0.779  -1.757  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.558   0.380  -2.772  1.00  0.00           C  
HETATM    9  C   UNL     1       1.141  -0.679  -1.438  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.659   5.762   1.815  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.475   5.873   0.796  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.075   5.330  -0.552  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.974   5.665  -1.744  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.962   4.247  -1.169  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.324   2.459  -1.409  1.00  0.00           C  
HETATM   16  C   UNL     1       3.343   0.548   0.122  1.00  0.00           C  
HETATM   17  C   UNL     1       5.755   0.289   0.352  1.00  0.00           C  
HETATM   18  C   UNL     1       8.675  -0.745  -0.676  1.00  0.00           C  
HETATM   19  C   UNL     1       3.697  -0.257   2.460  1.00  0.00           C  
HETATM   20  C   UNL     1       1.380   0.107   1.602  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.186  -3.001  -1.538  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.517  -4.258  -2.065  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.329  -4.524  -3.536  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.158  -4.974   0.018  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.661  -5.972   0.871  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.823  -5.712   2.195  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.495  -4.460   2.726  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.004  -3.467   1.926  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.825  -3.704   0.554  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.186  -5.304   4.838  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.170   3.805  -0.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.332   1.432   0.002  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.437  -0.093   0.060  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.657   0.771   0.387  1.00  0.00           C  
HETATM   35  C   UNL     1      10.556  -0.020   0.697  1.00  0.00           C  
HETATM   36  C   UNL     1      10.104  -1.156  -0.244  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.349  -5.684  -3.723  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.243   2.083  -1.379  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.675  -4.886  -4.165  1.00  0.00           C  
HETATM   40  N   UNL     1      -1.305   3.202  -1.958  1.00  0.00           N  
HETATM   41  N   UNL     1       1.429   0.767  -1.430  1.00  0.00           N  
HETATM   42  N   UNL     1       4.705   1.086   0.070  1.00  0.00           N  
HETATM   43  N   UNL     1      -1.989  -5.206  -1.289  1.00  0.00           N  
HETATM   44  N   UNL     1      -1.344  -2.750  -0.253  1.00  0.00           N  
HETATM   45  N   UNL     1      -3.048   2.848   0.558  1.00  0.00           N  
HETATM   46  O   UNL     1      -0.041   2.599  -0.238  1.00  0.00           O  
HETATM   47  O   UNL     1       2.643   2.550  -0.912  1.00  0.00           O  
HETATM   48  O   UNL     1       5.573  -0.875   0.648  1.00  0.00           O  
HETATM   49  O   UNL     1       7.007   0.784   0.305  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.695  -2.037  -2.355  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.668  -4.228   4.053  1.00  0.00           O  
HETATM   52  O   UNL     1      -4.251   4.312  -0.596  1.00  0.00           O  
HETATM   53  O   UNL     1      -5.082   3.418   1.766  1.00  0.00           O  
HETATM   54  O   UNL     1      -3.888   1.304   2.242  1.00  0.00           O  
HETATM   55  S   UNL     1      -4.395   2.257   1.318  1.00  0.00           S  
HETATM   56  H   UNL     1       0.902   1.956  -3.088  1.00  0.00           H  
HETATM   57  H   UNL     1       7.743  -0.916   1.292  1.00  0.00           H  
HETATM   58  H   UNL     1       9.238   1.682   0.959  1.00  0.00           H  
HETATM   59  H   UNL     1       9.246   0.540   2.332  1.00  0.00           H  
HETATM   60  H   UNL     1       2.244   2.685   1.407  1.00  0.00           H  
HETATM   61  H   UNL     1       2.496   2.112   3.073  1.00  0.00           H  
HETATM   62  H   UNL     1       3.895   2.425   2.019  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.976  -0.612  -0.862  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.583   0.751  -2.755  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.279   0.061  -3.776  1.00  0.00           H  
HETATM   66  H   UNL     1       1.353  -1.115  -0.462  1.00  0.00           H  
HETATM   67  H   UNL     1       1.725  -1.177  -2.212  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.946   6.151   2.781  1.00  0.00           H  
HETATM   69  H   UNL     1       0.300   5.281   1.689  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.434   6.354   0.921  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.002   5.265  -0.733  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.854   6.278  -1.553  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.492   5.821  -2.709  1.00  0.00           H  
HETATM   74  H   UNL     1       3.350  -0.489  -0.214  1.00  0.00           H  
HETATM   75  H   UNL     1       8.099  -1.617  -0.984  1.00  0.00           H  
HETATM   76  H   UNL     1       8.710  -0.002  -1.473  1.00  0.00           H  
HETATM   77  H   UNL     1       4.725   0.105   2.429  1.00  0.00           H  
HETATM   78  H   UNL     1       3.326  -0.209   3.484  1.00  0.00           H  
HETATM   79  H   UNL     1       3.665  -1.289   2.110  1.00  0.00           H  
HETATM   80  H   UNL     1       1.360  -0.952   1.346  1.00  0.00           H  
HETATM   81  H   UNL     1       0.975   0.246   2.605  1.00  0.00           H  
HETATM   82  H   UNL     1       0.776   0.665   0.886  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.931  -3.631  -4.018  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.919  -6.943   0.474  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.211  -6.481   2.846  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.755  -2.504   2.347  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.168  -5.589   4.460  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.510  -6.157   4.775  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.274  -4.986   5.877  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.442  -0.633  -0.887  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.943  -0.601   0.888  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.966   0.831   1.431  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.465   0.799  -0.344  1.00  0.00           H  
HETATM   94  H   UNL     1      11.140   0.714   0.143  1.00  0.00           H  
HETATM   95  H   UNL     1      11.149  -0.428   1.517  1.00  0.00           H  
HETATM   96  H   UNL     1      10.083  -2.107   0.288  1.00  0.00           H  
HETATM   97  H   UNL     1      10.762  -1.217  -1.111  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.747  -6.577  -3.241  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.213  -5.876  -4.788  1.00  0.00           H  
HETATM  100  H   UNL     1       0.610  -5.426  -3.275  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.992   2.871  -1.459  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.250   2.511  -1.515  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.423   1.331  -2.148  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.073  -5.779  -3.683  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.373  -4.060  -4.032  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.539  -5.078  -5.230  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.576   3.046  -2.876  1.00  0.00           H  
HETATM  108  H   UNL     1       4.851   2.015  -0.166  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.171   2.504   0.790  1.00  0.00           H  
CONECT    1    8   41   15   56                                       
CONECT    2   49    3   18   57                                       
CONECT    3    2   35   58   59                                       
CONECT    4    5   19   16   20                                       
CONECT    5    4   60   61   62                                       
CONECT    6   16   41   47   47                                       
CONECT    7    9    8   50   63                                       
CONECT    8    7    1   64   65                                       
CONECT    9    7   41   66   67                                       
CONECT   10   11   11   68   69                                       
CONECT   11   10   10   12   70                                       
CONECT   12   11   14   13   71                                       
CONECT   13   14   12   72   73                                       
CONECT   14   31   40   12   13                                       
CONECT   15   46   46    1   40                                       
CONECT   16    4    6   42   74                                       
CONECT   17   48   48   42   49                                       
CONECT   18    2   36   75   76                                       
CONECT   19    4   77   78   79                                       
CONECT   20    4   80   81   82                                       
CONECT   21   44   50   22   22                                       
CONECT   22   21   21   43   23                                       
CONECT   23   22   39   37   83                                       
CONECT   24   29   25   43   43                                       
CONECT   25   26   26   24   84                                       
CONECT   26   27   25   25   85                                       
CONECT   27   51   28   28   26                                       
CONECT   28   27   27   29   86                                       
CONECT   29   28   44   44   24                                       
CONECT   30   51   87   88   89                                       
CONECT   31   45   52   52   14                                       
CONECT   32   38   33   34   55                                       
CONECT   33   32   34   90   91                                       
CONECT   34   33   32   92   93                                       
CONECT   35    3   36   94   95                                       
CONECT   36   18   35   96   97                                       
CONECT   37   23   98   99  100                                       
CONECT   38   32  101  102  103                                       
CONECT   39   23  104  105  106                                       
CONECT   40   15   14  107                                            
CONECT   41    9    1    6                                            
CONECT   42   16   17  108                                            
CONECT   43   24   24   22                                            
CONECT   44   29   29   21                                            
CONECT   45   55   31  109                                            
CONECT   46   15   15                                                 
CONECT   47    6    6                                                 
CONECT   48   17   17                                                 
CONECT   49   17    2                                                 
CONECT   50    7   21                                                 
CONECT   51   30   27                                                 
CONECT   52   31   31                                                 
CONECT   53   55   55                                                 
CONECT   54   55   55                                                 
CONECT   55   32   54   54   45                                       
CONECT   55   53   53                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   16                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   23                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   28                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   37                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   42                                                      
CONECT  109   45                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
