COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.788  -3.757  -2.562  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.392  -4.872  -1.592  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.585  -3.385  -3.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.932  -4.241  -3.456  1.00  0.00           C  
HETATM    5  S   UNL     1      -5.329  -2.302  -1.623  1.00  0.00           S  
HETATM    6  O   UNL     1      -5.569  -1.239  -2.534  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.362  -2.698  -0.730  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.847  -1.910  -0.654  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.068  -0.601   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.163  -0.800   1.158  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.502   0.526   1.788  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.378   1.388   1.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.689   2.605   1.732  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.125   2.959   2.944  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.251   2.096   3.577  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.943   0.878   3.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.787  -0.195   0.790  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.753  -0.076   1.997  1.00  0.00           O  
HETATM   19  N   UNL     1      -1.678   0.037   0.059  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.433   0.432   0.722  1.00  0.00           C  
HETATM   21  C   UNL     1       0.315  -0.818   1.190  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.495  -1.521   2.249  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.367  -2.558   2.055  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.496  -1.253   3.569  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.349  -2.100   4.164  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.874  -2.885   3.263  1.00  0.00           C  
HETATM   27  C   UNL     1       0.430   1.200  -0.246  1.00  0.00           C  
HETATM   28  O   UNL     1       0.042   1.398  -1.378  1.00  0.00           O  
HETATM   29  N   UNL     1       1.631   1.667   0.146  1.00  0.00           N  
HETATM   30  C   UNL     1       2.470   2.414  -0.795  1.00  0.00           C  
HETATM   31  C   UNL     1       2.058   3.888  -0.786  1.00  0.00           C  
HETATM   32  C   UNL     1       0.631   4.022  -1.321  1.00  0.00           C  
HETATM   33  C   UNL     1       0.174   5.477  -1.196  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.253   5.611  -1.731  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.288   5.189  -3.202  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.831   3.735  -3.326  1.00  0.00           C  
HETATM   37  C   UNL     1       0.596   3.601  -2.791  1.00  0.00           C  
HETATM   38  C   UNL     1       3.937   2.292  -0.378  1.00  0.00           C  
HETATM   39  O   UNL     1       4.105   2.826   0.937  1.00  0.00           O  
HETATM   40  C   UNL     1       4.349   0.818  -0.387  1.00  0.00           C  
HETATM   41  C   UNL     1       5.852   0.707  -0.128  1.00  0.00           C  
HETATM   42  C   UNL     1       6.159   1.159   1.301  1.00  0.00           C  
HETATM   43  C   UNL     1       5.385   0.284   2.289  1.00  0.00           C  
HETATM   44  C   UNL     1       7.659   1.025   1.568  1.00  0.00           C  
HETATM   45  C   UNL     1       6.289  -0.724  -0.307  1.00  0.00           C  
HETATM   46  O   UNL     1       5.459  -1.601  -0.420  1.00  0.00           O  
HETATM   47  N   UNL     1       7.601  -1.029  -0.343  1.00  0.00           N  
HETATM   48  C   UNL     1       8.025  -2.426  -0.468  1.00  0.00           C  
HETATM   49  C   UNL     1       9.554  -2.495  -0.484  1.00  0.00           C  
HETATM   50  C   UNL     1       9.997  -3.954  -0.615  1.00  0.00           C  
HETATM   51  C   UNL     1      11.525  -4.023  -0.632  1.00  0.00           C  
HETATM   52  H   UNL     1      -3.578  -4.527  -0.955  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.250  -5.137  -0.974  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.067  -5.746  -2.156  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.260  -4.259  -3.994  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.867  -2.590  -4.121  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.770  -3.040  -2.793  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.789  -4.506  -2.837  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.214  -3.447  -4.147  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.607  -5.115  -4.020  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.652  -2.714   0.055  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.994  -1.801  -1.323  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.371   0.179  -0.590  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.052  -1.214   0.681  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.809  -1.488   1.926  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.818   1.111   0.208  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.373   3.279   1.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.368   3.910   3.395  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.810   2.373   4.523  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.262   0.202   3.498  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.705  -0.058  -0.906  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.663   1.061   1.582  1.00  0.00           H  
HETATM   73  H   UNL     1       0.466  -1.489   0.344  1.00  0.00           H  
HETATM   74  H   UNL     1       1.281  -0.530   1.603  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.581  -2.980   1.208  1.00  0.00           H  
HETATM   76  H   UNL     1       0.089  -0.490   4.062  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.594  -3.667   3.453  1.00  0.00           H  
HETATM   78  H   UNL     1       1.941   1.509   1.052  1.00  0.00           H  
HETATM   79  H   UNL     1       2.342   2.007  -1.798  1.00  0.00           H  
HETATM   80  H   UNL     1       2.102   4.271   0.234  1.00  0.00           H  
HETATM   81  H   UNL     1       2.738   4.459  -1.418  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.035   3.381  -0.743  1.00  0.00           H  
HETATM   83  H   UNL     1       0.199   5.777  -0.149  1.00  0.00           H  
HETATM   84  H   UNL     1       0.840   6.118  -1.774  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.919   4.970  -1.154  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.578   6.647  -1.642  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.305   5.285  -3.583  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.622   5.830  -3.779  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.497   3.094  -2.749  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.856   3.434  -4.374  1.00  0.00           H  
HETATM   91  H   UNL     1       1.262   4.241  -3.369  1.00  0.00           H  
HETATM   92  H   UNL     1       0.922   2.564  -2.880  1.00  0.00           H  
HETATM   93  H   UNL     1       3.805   0.285   0.393  1.00  0.00           H  
HETATM   94  H   UNL     1       4.114   0.381  -1.357  1.00  0.00           H  
HETATM   95  H   UNL     1       6.390   1.342  -0.833  1.00  0.00           H  
HETATM   96  H   UNL     1       5.859   2.200   1.426  1.00  0.00           H  
HETATM   97  H   UNL     1       5.741  -0.744   2.220  1.00  0.00           H  
HETATM   98  H   UNL     1       5.541   0.655   3.302  1.00  0.00           H  
HETATM   99  H   UNL     1       4.322   0.317   2.049  1.00  0.00           H  
HETATM  100  H   UNL     1       8.212   1.629   0.848  1.00  0.00           H  
HETATM  101  H   UNL     1       7.881   1.370   2.578  1.00  0.00           H  
HETATM  102  H   UNL     1       7.954  -0.020   1.468  1.00  0.00           H  
HETATM  103  H   UNL     1       8.265  -0.324  -0.285  1.00  0.00           H  
HETATM  104  H   UNL     1       7.644  -2.998   0.377  1.00  0.00           H  
HETATM  105  H   UNL     1       7.633  -2.843  -1.396  1.00  0.00           H  
HETATM  106  H   UNL     1       9.934  -1.922  -1.330  1.00  0.00           H  
HETATM  107  H   UNL     1       9.946  -2.078   0.443  1.00  0.00           H  
HETATM  108  H   UNL     1       9.616  -4.526   0.230  1.00  0.00           H  
HETATM  109  H   UNL     1       9.604  -4.371  -1.543  1.00  0.00           H  
HETATM  110  H   UNL     1      11.906  -3.450  -1.477  1.00  0.00           H  
HETATM  111  H   UNL     1      11.917  -3.606   0.296  1.00  0.00           H  
HETATM  112  H   UNL     1      11.840  -5.062  -0.725  1.00  0.00           H  
HETATM  113  H   UNL     1       4.561   2.848  -1.078  1.00  0.00           H  
HETATM  114  H   UNL     1       3.635   2.334   1.624  1.00  0.00           H  
CONECT    1    2    3    4    5                                       
CONECT    2    1   52   53   54                                       
CONECT    3    1   55   56   57                                       
CONECT    4    1   58   59   60                                       
CONECT    5    1    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   61   62                                       
CONECT    9    8   10   17   63                                       
CONECT   10    9   11   64   65                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   66                                       
CONECT   13   12   14   14   67                                       
CONECT   14   13   13   15   68                                       
CONECT   15   14   16   16   69                                       
CONECT   16   11   15   15   70                                       
CONECT   17    9   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   71                                            
CONECT   20   19   21   27   72                                       
CONECT   21   20   22   73   74                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   26   75                                            
CONECT   24   22   22   25   76                                       
CONECT   25   24   26   26                                            
CONECT   26   23   25   25   77                                       
CONECT   27   20   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   78                                            
CONECT   30   29   31   38   79                                       
CONECT   31   30   32   80   81                                       
CONECT   32   31   33   37   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85   86                                       
CONECT   35   34   36   87   88                                       
CONECT   36   35   37   89   90                                       
CONECT   37   32   36   91   92                                       
CONECT   38   30   39   40  113                                       
CONECT   39   38  114                                                 
CONECT   40   38   41   93   94                                       
CONECT   41   40   42   45   95                                       
CONECT   42   41   43   44   96                                       
CONECT   43   42   97   98   99                                       
CONECT   44   42  100  101  102                                       
CONECT   45   41   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48  103                                            
CONECT   48   47   49  104  105                                       
CONECT   49   48   50  106  107                                       
CONECT   50   49   51  108  109                                       
CONECT   51   50  110  111  112                                       
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   44                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
CONECT  109   50                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
