COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.942  -1.294  -0.597  1.00  0.00           O  
HETATM    2  C   UNL     1       6.143  -0.522  -0.106  1.00  0.00           C  
HETATM    3  O   UNL     1       6.495   0.758   0.119  1.00  0.00           O  
HETATM    4  C   UNL     1       7.844   1.146  -0.250  1.00  0.00           C  
HETATM    5  C   UNL     1       8.055   2.603   0.072  1.00  0.00           C  
HETATM    6  S   UNL     1       7.741   3.959  -1.008  1.00  0.00           S  
HETATM    7  C   UNL     1       8.257   5.052   0.202  1.00  0.00           C  
HETATM    8  N   UNL     1       8.608   4.408   1.263  1.00  0.00           N  
HETATM    9  C   UNL     1       8.507   3.094   1.230  1.00  0.00           C  
HETATM   10  N   UNL     1       4.903  -0.945   0.209  1.00  0.00           N  
HETATM   11  C   UNL     1       4.518  -2.336  -0.041  1.00  0.00           C  
HETATM   12  C   UNL     1       4.956  -3.206   1.139  1.00  0.00           C  
HETATM   13  C   UNL     1       6.483  -3.218   1.225  1.00  0.00           C  
HETATM   14  C   UNL     1       6.921  -4.088   2.405  1.00  0.00           C  
HETATM   15  C   UNL     1       2.999  -2.424  -0.204  1.00  0.00           C  
HETATM   16  C   UNL     1       2.575  -1.656  -1.457  1.00  0.00           C  
HETATM   17  C   UNL     1       1.056  -1.743  -1.620  1.00  0.00           C  
HETATM   18  C   UNL     1       0.646  -1.082  -2.937  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.833  -1.276  -3.156  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.731  -0.343  -2.675  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.087  -0.521  -2.876  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.545  -1.632  -3.558  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.646  -2.566  -4.040  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.290  -2.385  -3.844  1.00  0.00           C  
HETATM   25  N   UNL     1       0.405  -1.054  -0.503  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.845  -1.398  -0.136  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.431  -2.278  -0.730  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.515  -0.689   1.013  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.689  -0.886   2.285  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.370  -0.166   3.451  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.585  -2.379   2.599  1.00  0.00           C  
HETATM   32  N   UNL     1      -2.858  -1.241   1.211  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.815  -0.492   1.794  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.565   0.641   2.154  1.00  0.00           O  
HETATM   35  N   UNL     1      -5.050  -1.001   1.977  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.351  -2.367   1.542  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.091  -0.187   2.610  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.838   0.584   1.553  1.00  0.00           C  
HETATM   39  N   UNL     1      -6.418   1.741   1.083  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.143   2.307   0.178  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.830   3.627  -0.478  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.678   3.424  -1.986  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.968   4.613  -0.208  1.00  0.00           C  
HETATM   44  S   UNL     1      -8.512   1.342  -0.169  1.00  0.00           S  
HETATM   45  C   UNL     1      -7.979   0.147   1.010  1.00  0.00           C  
HETATM   46  H   UNL     1       8.561   0.543   0.307  1.00  0.00           H  
HETATM   47  H   UNL     1       7.989   0.985  -1.319  1.00  0.00           H  
HETATM   48  H   UNL     1       8.289   6.126   0.092  1.00  0.00           H  
HETATM   49  H   UNL     1       8.776   2.466   2.066  1.00  0.00           H  
HETATM   50  H   UNL     1       4.265  -0.328   0.601  1.00  0.00           H  
HETATM   51  H   UNL     1       5.002  -2.689  -0.952  1.00  0.00           H  
HETATM   52  H   UNL     1       4.543  -2.801   2.062  1.00  0.00           H  
HETATM   53  H   UNL     1       4.592  -4.224   0.994  1.00  0.00           H  
HETATM   54  H   UNL     1       6.896  -3.624   0.301  1.00  0.00           H  
HETATM   55  H   UNL     1       6.847  -2.201   1.369  1.00  0.00           H  
HETATM   56  H   UNL     1       6.558  -5.106   2.260  1.00  0.00           H  
HETATM   57  H   UNL     1       8.009  -4.096   2.466  1.00  0.00           H  
HETATM   58  H   UNL     1       6.508  -3.682   3.328  1.00  0.00           H  
HETATM   59  H   UNL     1       2.704  -3.469  -0.301  1.00  0.00           H  
HETATM   60  H   UNL     1       2.514  -1.990   0.670  1.00  0.00           H  
HETATM   61  H   UNL     1       2.870  -0.611  -1.360  1.00  0.00           H  
HETATM   62  H   UNL     1       3.060  -2.090  -2.331  1.00  0.00           H  
HETATM   63  H   UNL     1       0.752  -2.790  -1.628  1.00  0.00           H  
HETATM   64  H   UNL     1       0.870  -0.016  -2.894  1.00  0.00           H  
HETATM   65  H   UNL     1       1.198  -1.537  -3.759  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.374   0.526  -2.141  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.789   0.209  -2.500  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.604  -1.772  -3.715  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.004  -3.435  -4.573  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.588  -3.114  -4.220  1.00  0.00           H  
HETATM   71  H   UNL     1       0.874  -0.350  -0.028  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.590   0.375   0.789  1.00  0.00           H  
HETATM   73  H   UNL     1       0.309  -0.475   2.137  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.781  -0.306   4.358  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.444   0.899   3.227  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.368  -0.577   3.599  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.100  -2.892   1.769  1.00  0.00           H  
HETATM   78  H   UNL     1       0.004  -2.520   3.506  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.583  -2.790   2.747  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.057  -2.146   0.924  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.143  -3.061   2.356  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.403  -2.436   1.265  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.732  -2.620   0.682  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.784  -0.836   3.145  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.631   0.510   3.310  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.901   4.024  -0.069  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.607   3.027  -2.395  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.451   4.379  -2.461  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.867   2.721  -2.178  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.077   4.758   0.867  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.742   5.568  -0.683  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.898   4.216  -0.617  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.486  -0.776   1.253  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   10    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   46   47                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    5                                                 
CONECT    7    8    8    6   48                                       
CONECT    8    7    7    9                                            
CONECT    9    8    5    5   49                                       
CONECT   10    2   11   50                                            
CONECT   11   10   15   12   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   56   57   58                                       
CONECT   15   16   11   59   60                                       
CONECT   16   17   15   61   62                                       
CONECT   17   18   25   16   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   66                                       
CONECT   21   22   20   20   67                                       
CONECT   22   23   23   21   68                                       
CONECT   23   22   22   24   69                                       
CONECT   24   23   19   19   70                                       
CONECT   25   26   17   71                                            
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   32   29   26   72                                       
CONECT   29   31   28   30   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   29   77   78   79                                       
CONECT   32   33   28   80                                            
CONECT   33   35   34   34   32                                       
CONECT   34   33   33                                                 
CONECT   35   37   33   36                                            
CONECT   36   35   81   82   83                                       
CONECT   37   38   35   84   85                                       
CONECT   38   37   45   45   39                                       
CONECT   39   38   40   40                                            
CONECT   40   39   39   44   41                                       
CONECT   41   42   40   43   86                                       
CONECT   42   41   87   88   89                                       
CONECT   43   41   90   91   92                                       
CONECT   44   45   40                                                 
CONECT   45   38   38   44   93                                       
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   43                                                      
CONECT   93   45                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
