COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.168  -1.363  -2.210  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.721   0.027  -1.838  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.463   0.302  -0.686  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.967  -2.313  -2.190  1.00  0.00           C  
HETATM    5  S   UNL     1      -3.576  -2.755  -0.474  1.00  0.00           S  
HETATM    6  N   UNL     1      -4.610   0.974  -2.819  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.181   2.312  -2.359  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.079   2.320  -0.832  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.356   2.006   1.292  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.474   2.156  -0.226  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.752   1.841   1.898  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.639   1.698   3.351  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.770   1.536   4.116  1.00  0.00           C  
HETATM   14  N   UNL     1      -8.943   1.511   3.547  1.00  0.00           N  
HETATM   15  N   UNL     1      -7.664   1.401   5.480  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.836   2.629  -2.955  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.532   2.194  -4.046  1.00  0.00           O  
HETATM   18  N   UNL     1      -1.966   3.409  -2.259  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.662   3.664  -2.903  1.00  0.00           C  
HETATM   20  C   UNL     1       0.433   3.500  -1.888  1.00  0.00           C  
HETATM   21  O   UNL     1       0.314   3.986  -0.782  1.00  0.00           O  
HETATM   22  N   UNL     1       1.561   2.805  -2.210  1.00  0.00           N  
HETATM   23  C   UNL     1       2.556   2.708  -1.117  1.00  0.00           C  
HETATM   24  C   UNL     1       3.380   1.464  -1.301  1.00  0.00           C  
HETATM   25  O   UNL     1       3.971   1.272  -2.342  1.00  0.00           O  
HETATM   26  C   UNL     1       1.831   2.645   0.229  1.00  0.00           C  
HETATM   27  C   UNL     1       0.783   1.562   0.185  1.00  0.00           C  
HETATM   28  O   UNL     1       0.584   0.956  -0.840  1.00  0.00           O  
HETATM   29  O   UNL     1       0.072   1.272   1.286  1.00  0.00           O  
HETATM   30  N   UNL     1       3.459   0.556  -0.292  1.00  0.00           N  
HETATM   31  C   UNL     1       4.341  -0.605  -0.529  1.00  0.00           C  
HETATM   32  C   UNL     1       3.510  -1.857  -0.584  1.00  0.00           C  
HETATM   33  O   UNL     1       2.460  -1.845  -1.191  1.00  0.00           O  
HETATM   34  C   UNL     1       5.357  -0.716   0.610  1.00  0.00           C  
HETATM   35  C   UNL     1       6.115   0.580   0.735  1.00  0.00           C  
HETATM   36  C   UNL     1       7.302   0.868   0.180  1.00  0.00           C  
HETATM   37  C   UNL     1       5.692   1.768   1.481  1.00  0.00           C  
HETATM   38  N   UNL     1       7.677   2.141   0.514  1.00  0.00           N  
HETATM   39  C   UNL     1       6.714   2.719   1.309  1.00  0.00           C  
HETATM   40  C   UNL     1       4.569   2.083   2.250  1.00  0.00           C  
HETATM   41  C   UNL     1       6.592   3.967   1.911  1.00  0.00           C  
HETATM   42  C   UNL     1       4.470   3.315   2.833  1.00  0.00           C  
HETATM   43  C   UNL     1       5.476   4.257   2.665  1.00  0.00           C  
HETATM   44  N   UNL     1       3.906  -2.990   0.026  1.00  0.00           N  
HETATM   45  C   UNL     1       3.120  -4.229   0.074  1.00  0.00           C  
HETATM   46  C   UNL     1       1.671  -3.875   0.208  1.00  0.00           C  
HETATM   47  O   UNL     1       1.371  -2.760   0.578  1.00  0.00           O  
HETATM   48  C   UNL     1       3.607  -5.029   1.296  1.00  0.00           C  
HETATM   49  C   UNL     1       5.019  -4.485   1.579  1.00  0.00           C  
HETATM   50  C   UNL     1       5.171  -3.207   0.741  1.00  0.00           C  
HETATM   51  N   UNL     1       0.682  -4.762  -0.072  1.00  0.00           N  
HETATM   52  C   UNL     1      -0.646  -4.175  -0.338  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.695  -2.776   0.221  1.00  0.00           C  
HETATM   54  O   UNL     1      -0.696  -2.602   1.421  1.00  0.00           O  
HETATM   55  C   UNL     1      -1.733  -5.022   0.321  1.00  0.00           C  
HETATM   56  S   UNL     1      -3.299  -4.783  -0.563  1.00  0.00           S  
HETATM   57  N   UNL     1      -0.736  -1.718  -0.613  1.00  0.00           N  
HETATM   58  H   UNL     1      -5.915  -1.707  -1.495  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.602  -1.349  -3.210  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.208  -3.216  -2.751  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.107  -1.821  -2.643  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.798   0.781  -3.751  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.909   3.058  -2.679  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.442   1.497  -0.507  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.648   3.265  -0.502  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.753   1.128   1.524  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.881   2.894   1.709  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.077   3.034  -0.459  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.949   1.268  -0.643  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.354   2.719   1.665  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.227   0.954   1.480  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.766   1.716   3.774  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.741   1.396   4.087  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.792   1.420   5.903  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.462   1.287   6.019  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.189   3.776  -1.389  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.513   2.955  -3.717  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.644   4.681  -3.297  1.00  0.00           H  
HETATM   79  H   UNL     1       1.700   2.407  -3.083  1.00  0.00           H  
HETATM   80  H   UNL     1       3.207   3.582  -1.139  1.00  0.00           H  
HETATM   81  H   UNL     1       2.549   2.424   1.019  1.00  0.00           H  
HETATM   82  H   UNL     1       1.354   3.604   0.430  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.589   0.570   1.209  1.00  0.00           H  
HETATM   84  H   UNL     1       2.965   0.665   0.536  1.00  0.00           H  
HETATM   85  H   UNL     1       4.867  -0.476  -1.475  1.00  0.00           H  
HETATM   86  H   UNL     1       4.834  -0.924   1.544  1.00  0.00           H  
HETATM   87  H   UNL     1       6.055  -1.526   0.397  1.00  0.00           H  
HETATM   88  H   UNL     1       7.877   0.194  -0.438  1.00  0.00           H  
HETATM   89  H   UNL     1       8.499   2.572   0.230  1.00  0.00           H  
HETATM   90  H   UNL     1       3.783   1.355   2.384  1.00  0.00           H  
HETATM   91  H   UNL     1       7.369   4.707   1.788  1.00  0.00           H  
HETATM   92  H   UNL     1       3.602   3.558   3.427  1.00  0.00           H  
HETATM   93  H   UNL     1       5.383   5.227   3.132  1.00  0.00           H  
HETATM   94  H   UNL     1       3.294  -4.812  -0.833  1.00  0.00           H  
HETATM   95  H   UNL     1       2.953  -4.853   2.150  1.00  0.00           H  
HETATM   96  H   UNL     1       3.649  -6.093   1.061  1.00  0.00           H  
HETATM   97  H   UNL     1       5.124  -4.253   2.639  1.00  0.00           H  
HETATM   98  H   UNL     1       5.769  -5.219   1.283  1.00  0.00           H  
HETATM   99  H   UNL     1       5.984  -3.328   0.025  1.00  0.00           H  
HETATM  100  H   UNL     1       5.376  -2.358   1.394  1.00  0.00           H  
HETATM  101  H   UNL     1       0.838  -5.720  -0.097  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.818  -4.141  -1.413  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.449  -6.074   0.281  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.852  -4.716   1.361  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.807  -1.858  -1.571  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.695  -0.817  -0.257  1.00  0.00           H  
CONECT    1    2    4   58   59                                       
CONECT    2    1    3    3    6                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   60   61                                       
CONECT    5    4   56                                                 
CONECT    6    7   62    2                                            
CONECT    7    6    8   16   63                                       
CONECT    8    7   10   64   65                                       
CONECT    9   10   11   66   67                                       
CONECT   10    8    9   68   69                                       
CONECT   11    9   12   70   71                                       
CONECT   12   11   13   72                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   73                                            
CONECT   15   13   74   75                                            
CONECT   16    7   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   19   76   16                                            
CONECT   19   18   20   77   78                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   23   79   20                                            
CONECT   23   22   24   26   80                                       
CONECT   24   23   25   25   30                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   81   82                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   83                                                 
CONECT   30   31   84   24                                            
CONECT   31   30   32   34   85                                       
CONECT   32   31   33   33   44                                       
CONECT   33   32   32                                                 
CONECT   34   31   35   86   87                                       
CONECT   35   34   36   36   37                                       
CONECT   36   35   35   38   88                                       
CONECT   37   35   39   39   40                                       
CONECT   38   36   39   89                                            
CONECT   39   37   37   38   41                                       
CONECT   40   37   42   42   90                                       
CONECT   41   39   43   43   91                                       
CONECT   42   40   40   43   92                                       
CONECT   43   41   41   42   93                                       
CONECT   44   45   50   32                                            
CONECT   45   44   46   48   94                                       
CONECT   46   45   47   47   51                                       
CONECT   47   46   46                                                 
CONECT   48   45   49   95   96                                       
CONECT   49   48   50   97   98                                       
CONECT   50   44   49   99  100                                       
CONECT   51   52  101   46                                            
CONECT   52   51   53   55  102                                       
CONECT   53   52   54   54   57                                       
CONECT   54   53   53                                                 
CONECT   55   52   56  103  104                                       
CONECT   56   55    5                                                 
CONECT   57  105  106   53                                            
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    6                                                      
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   11                                                      
CONECT   72   12                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   38                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   45                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
CONECT  102   52                                                      
CONECT  103   55                                                      
CONECT  104   55                                                      
CONECT  105   57                                                      
CONECT  106   57                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
