COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.548  -1.726   0.318  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.094   1.013  -0.601  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.859   0.043   0.302  1.00  0.00           C  
HETATM    4  N   UNL     1       3.126  -5.715   0.874  1.00  0.00           N1+
HETATM    5  C   UNL     1      -9.816  -0.797  -0.547  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.840   4.441   0.910  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.957   4.030   2.369  1.00  0.00           C  
HETATM    8  O   UNL     1       3.876   1.022  -4.006  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.373   2.823  -0.655  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.138   1.853   0.248  1.00  0.00           C  
HETATM   11  N   UNL     1       9.904   0.876   0.046  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.713   4.552  -0.613  1.00  0.00           C  
HETATM   13  O   UNL     1     -12.343  -3.281   0.847  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.797   5.331   0.332  1.00  0.00           C  
HETATM   15  O   UNL     1     -12.707  -1.444  -0.769  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.930   5.072   1.814  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.125   3.511   1.281  1.00  0.00           N  
HETATM   18  C   UNL     1       0.811   2.575   1.535  1.00  0.00           C  
HETATM   19  O   UNL     1       0.965   2.162   2.668  1.00  0.00           O  
HETATM   20  C   UNL     1     -11.293  -3.553  -1.590  1.00  0.00           C  
HETATM   21  C   UNL     1       1.652   2.051   0.436  1.00  0.00           C  
HETATM   22  C   UNL     1       1.475   2.527  -0.865  1.00  0.00           C  
HETATM   23  C   UNL     1       2.254   2.044  -1.897  1.00  0.00           C  
HETATM   24  C   UNL     1       3.225   1.077  -1.647  1.00  0.00           C  
HETATM   25  C   UNL     1       4.055   0.556  -2.754  1.00  0.00           C  
HETATM   26  C   UNL     1       3.410   0.591  -0.336  1.00  0.00           C  
HETATM   27  C   UNL     1       4.435  -0.433  -0.064  1.00  0.00           C  
HETATM   28  C   UNL     1       4.080  -1.773   0.173  1.00  0.00           C  
HETATM   29  C   UNL     1       2.726  -2.172   0.154  1.00  0.00           C  
HETATM   30  C   UNL     1       2.400  -3.465   0.383  1.00  0.00           C  
HETATM   31  C   UNL     1       3.449  -4.447   0.649  1.00  0.00           C  
HETATM   32  C   UNL     1       1.717  -6.104   0.984  1.00  0.00           C  
HETATM   33  C   UNL     1       4.177  -6.726   1.012  1.00  0.00           C  
HETATM   34  C   UNL     1       4.803  -4.053   0.668  1.00  0.00           C  
HETATM   35  C   UNL     1       5.136  -2.750   0.438  1.00  0.00           C  
HETATM   36  C   UNL     1       5.862  -0.089  -0.036  1.00  0.00           C  
HETATM   37  C   UNL     1       6.277   1.229  -0.269  1.00  0.00           C  
HETATM   38  C   UNL     1       7.604   1.539  -0.241  1.00  0.00           C  
HETATM   39  C   UNL     1       6.812  -1.094   0.228  1.00  0.00           C  
HETATM   40  C   UNL     1       8.159  -0.762   0.252  1.00  0.00           C  
HETATM   41  C   UNL     1       8.553   0.548   0.020  1.00  0.00           C  
HETATM   42  C   UNL     1      10.904  -0.159   0.317  1.00  0.00           C  
HETATM   43  C   UNL     1      10.327   2.257  -0.199  1.00  0.00           C  
HETATM   44  C   UNL     1       2.623   1.088   0.702  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.480   3.608   0.138  1.00  0.00           O  
HETATM   46  O   UNL     1       4.897  -0.290  -2.535  1.00  0.00           O  
HETATM   47  O   UNL     1       6.431  -2.369   0.456  1.00  0.00           O  
HETATM   48  S   UNL     1     -11.901  -2.493  -0.249  1.00  0.00           S  
HETATM   49  H   UNL     1     -10.237  -1.895   1.221  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.525   0.450  -1.340  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.801   1.669  -1.109  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.153  -0.613   0.811  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.428   0.606   1.041  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.246  -1.361  -1.286  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.522  -0.141  -1.055  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.321   4.492   3.124  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.519   3.211   2.818  1.00  0.00           H  
HETATM   58  H   UNL     1       4.443   0.651  -4.696  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.804   2.260  -1.394  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.079   3.480  -1.163  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.707   2.417   0.987  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.431   1.197   0.757  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.385   5.244  -1.121  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.109   4.024  -1.351  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.393   5.786   1.123  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.277   6.110  -0.226  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.372   5.846   1.287  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.488   5.522   2.635  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.247   3.841   0.377  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.562  -4.257  -1.193  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.127  -4.102  -2.027  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.824  -2.935  -2.356  1.00  0.00           H  
HETATM   73  H   UNL     1       0.723   3.277  -1.065  1.00  0.00           H  
HETATM   74  H   UNL     1       2.111   2.417  -2.900  1.00  0.00           H  
HETATM   75  H   UNL     1       1.951  -1.445  -0.042  1.00  0.00           H  
HETATM   76  H   UNL     1       1.364  -3.770   0.369  1.00  0.00           H  
HETATM   77  H   UNL     1       1.336  -6.372  -0.001  1.00  0.00           H  
HETATM   78  H   UNL     1       1.628  -6.960   1.654  1.00  0.00           H  
HETATM   79  H   UNL     1       1.140  -5.269   1.383  1.00  0.00           H  
HETATM   80  H   UNL     1       4.769  -6.515   1.903  1.00  0.00           H  
HETATM   81  H   UNL     1       3.724  -7.712   1.103  1.00  0.00           H  
HETATM   82  H   UNL     1       4.822  -6.702   0.133  1.00  0.00           H  
HETATM   83  H   UNL     1       5.576  -4.781   0.865  1.00  0.00           H  
HETATM   84  H   UNL     1       5.547   1.998  -0.471  1.00  0.00           H  
HETATM   85  H   UNL     1       7.923   2.555  -0.421  1.00  0.00           H  
HETATM   86  H   UNL     1       8.899  -1.522   0.453  1.00  0.00           H  
HETATM   87  H   UNL     1      11.220  -0.615  -0.621  1.00  0.00           H  
HETATM   88  H   UNL     1      11.766   0.289   0.812  1.00  0.00           H  
HETATM   89  H   UNL     1      10.471  -0.922   0.964  1.00  0.00           H  
HETATM   90  H   UNL     1      10.499   2.401  -1.265  1.00  0.00           H  
HETATM   91  H   UNL     1       9.548   2.941   0.139  1.00  0.00           H  
HETATM   92  H   UNL     1      11.248   2.457   0.348  1.00  0.00           H  
HETATM   93  H   UNL     1       2.759   0.721   1.708  1.00  0.00           H  
CONECT    1    5   48   49                                            
CONECT    2   10    3   50   51                                       
CONECT    3    2    5   52   53                                       
CONECT    4   33   31   31   32                                       
CONECT    5    3    1   54   55                                       
CONECT    6   16   14                                                 
CONECT    7   17   16   56   57                                       
CONECT    8   25   58                                                 
CONECT    9   45   10   59   60                                       
CONECT   10    9    2   61   62                                       
CONECT   11   43   42   41                                            
CONECT   12   14   45   63   64                                       
CONECT   13   48   48                                                 
CONECT   14    6   12   65   66                                       
CONECT   15   48   48                                                 
CONECT   16    7    6   67   68                                       
CONECT   17   18    7   69                                            
CONECT   18   21   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   48   70   71   72                                       
CONECT   21   44   44   22   18                                       
CONECT   22   23   23   21   73                                       
CONECT   23   24   22   22   74                                       
CONECT   24   25   26   26   23                                       
CONECT   25   46   46    8   24                                       
CONECT   26   27   24   24   44                                       
CONECT   27   36   28   28   26                                       
CONECT   28   35   27   27   29                                       
CONECT   29   28   30   30   75                                       
CONECT   30   31   29   29   76                                       
CONECT   31   34    4    4   30                                       
CONECT   32    4   77   78   79                                       
CONECT   33    4   80   81   82                                       
CONECT   34   35   35   31   83                                       
CONECT   35   47   34   34   28                                       
CONECT   36   39   39   37   27                                       
CONECT   37   38   38   36   84                                       
CONECT   38   41   37   37   85                                       
CONECT   39   40   47   36   36                                       
CONECT   40   41   41   39   86                                       
CONECT   41   11   40   40   38                                       
CONECT   42   11   87   88   89                                       
CONECT   43   11   90   91   92                                       
CONECT   44   26   21   21   93                                       
CONECT   45   12    9                                                 
CONECT   46   25   25                                                 
CONECT   47   39   35                                                 
CONECT   48    1   15   15   13                                       
CONECT   48   13   20                                                 
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   40                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
