COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.067  -0.273   1.905  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.206  -0.931   0.692  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.094  -1.450   0.058  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.843  -1.314   0.631  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.702  -0.659   1.841  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.811  -0.138   2.479  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.426  -1.977  -0.180  1.00  0.00           S  
HETATM    8  O   UNL     1      -2.449  -2.191   0.829  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.900  -3.009  -1.035  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.826  -0.791  -1.167  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.363  -0.623  -2.520  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.029   0.750  -2.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.493   0.969  -4.079  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.235   0.814  -1.698  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.759   0.091  -0.688  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.404  -0.459  -1.135  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.319  -0.414  -2.561  1.00  0.00           O  
HETATM   18  C   UNL     1       0.716   0.391  -0.531  1.00  0.00           C  
HETATM   19  N   UNL     1       2.013  -0.204  -0.861  1.00  0.00           N  
HETATM   20  C   UNL     1       2.828  -0.633   0.124  1.00  0.00           C  
HETATM   21  O   UNL     1       2.466  -0.572   1.282  1.00  0.00           O  
HETATM   22  O   UNL     1       4.043  -1.130  -0.176  1.00  0.00           O  
HETATM   23  C   UNL     1       4.866  -1.574   0.935  1.00  0.00           C  
HETATM   24  C   UNL     1       4.629  -3.069   1.214  1.00  0.00           C  
HETATM   25  O   UNL     1       5.859  -3.756   0.942  1.00  0.00           O  
HETATM   26  C   UNL     1       6.938  -2.818   1.113  1.00  0.00           C  
HETATM   27  O   UNL     1       8.004  -3.173   0.221  1.00  0.00           O  
HETATM   28  C   UNL     1       7.818  -2.547  -1.052  1.00  0.00           C  
HETATM   29  C   UNL     1       6.533  -1.696  -0.972  1.00  0.00           C  
HETATM   30  C   UNL     1       6.361  -1.475   0.568  1.00  0.00           C  
HETATM   31  C   UNL     1       0.646   1.809  -1.102  1.00  0.00           C  
HETATM   32  C   UNL     1       1.606   2.717  -0.333  1.00  0.00           C  
HETATM   33  C   UNL     1       1.565   4.125  -0.930  1.00  0.00           C  
HETATM   34  C   UNL     1       2.526   5.034  -0.160  1.00  0.00           C  
HETATM   35  C   UNL     1       3.947   4.477  -0.263  1.00  0.00           C  
HETATM   36  C   UNL     1       3.988   3.069   0.334  1.00  0.00           C  
HETATM   37  C   UNL     1       3.569   3.126   1.804  1.00  0.00           C  
HETATM   38  C   UNL     1       2.147   3.683   1.908  1.00  0.00           C  
HETATM   39  C   UNL     1       1.186   2.774   1.138  1.00  0.00           C  
HETATM   40  C   UNL     1       3.028   2.161  -0.436  1.00  0.00           C  
HETATM   41  C   UNL     1       2.106   5.091   1.310  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.158   0.243   2.528  1.00  0.00           O  
HETATM   43  C   UNL     1      -9.420   0.066   1.880  1.00  0.00           C  
HETATM   44  H   UNL     1      -8.182  -1.038   0.244  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.201  -1.963  -0.886  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.724  -0.554   2.287  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.700   0.375   3.423  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.552  -0.696  -3.244  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.099  -1.402  -2.718  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.313   1.525  -2.365  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.209   0.193  -4.352  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.968   1.947  -4.163  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.634   0.923  -4.749  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.894   0.748  -0.665  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.762   1.756  -1.848  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.907  -0.017  -1.913  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.901   1.090  -1.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.790   0.140   0.401  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.300  -1.490  -0.797  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.403   0.475  -2.932  1.00  0.00           H  
HETATM   61  H   UNL     1       0.599   0.430   0.552  1.00  0.00           H  
HETATM   62  H   UNL     1       2.286  -0.290  -1.788  1.00  0.00           H  
HETATM   63  H   UNL     1       4.652  -0.982   1.825  1.00  0.00           H  
HETATM   64  H   UNL     1       4.349  -3.210   2.258  1.00  0.00           H  
HETATM   65  H   UNL     1       3.840  -3.447   0.565  1.00  0.00           H  
HETATM   66  H   UNL     1       7.268  -2.744   2.149  1.00  0.00           H  
HETATM   67  H   UNL     1       8.671  -1.908  -1.278  1.00  0.00           H  
HETATM   68  H   UNL     1       7.711  -3.307  -1.826  1.00  0.00           H  
HETATM   69  H   UNL     1       6.667  -0.744  -1.486  1.00  0.00           H  
HETATM   70  H   UNL     1       5.682  -2.241  -1.380  1.00  0.00           H  
HETATM   71  H   UNL     1       6.846  -0.573   0.941  1.00  0.00           H  
HETATM   72  H   UNL     1       0.928   1.791  -2.155  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.371   2.189  -1.005  1.00  0.00           H  
HETATM   74  H   UNL     1       1.864   4.084  -1.977  1.00  0.00           H  
HETATM   75  H   UNL     1       0.553   4.522  -0.856  1.00  0.00           H  
HETATM   76  H   UNL     1       2.497   6.037  -0.585  1.00  0.00           H  
HETATM   77  H   UNL     1       4.247   4.436  -1.310  1.00  0.00           H  
HETATM   78  H   UNL     1       4.632   5.124   0.285  1.00  0.00           H  
HETATM   79  H   UNL     1       5.001   2.672   0.260  1.00  0.00           H  
HETATM   80  H   UNL     1       3.598   2.123   2.230  1.00  0.00           H  
HETATM   81  H   UNL     1       4.253   3.773   2.353  1.00  0.00           H  
HETATM   82  H   UNL     1       1.848   3.723   2.955  1.00  0.00           H  
HETATM   83  H   UNL     1       0.174   3.171   1.211  1.00  0.00           H  
HETATM   84  H   UNL     1       1.216   1.771   1.563  1.00  0.00           H  
HETATM   85  H   UNL     1       3.057   1.157  -0.010  1.00  0.00           H  
HETATM   86  H   UNL     1       3.327   2.120  -1.483  1.00  0.00           H  
HETATM   87  H   UNL     1       2.791   5.738   1.859  1.00  0.00           H  
HETATM   88  H   UNL     1       1.094   5.487   1.384  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.205   0.525   2.482  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.393   0.538   0.898  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.623  -0.998   1.767  1.00  0.00           H  
CONECT    1    2   42    6    6                                       
CONECT    2    3    3    1   44                                       
CONECT    3    2    2    4   45                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   46                                       
CONECT    6    1    1    5   47                                       
CONECT    7    8    8    4    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   15   11                                            
CONECT   11   10   12   48   49                                       
CONECT   12   11   13   14   50                                       
CONECT   13   12   51   52   53                                       
CONECT   14   12   54   55   56                                       
CONECT   15   10   16   57   58                                       
CONECT   16   18   15   17   59                                       
CONECT   17   16   60                                                 
CONECT   18   31   19   16   61                                       
CONECT   19   18   20   62                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   30   22   24   63                                       
CONECT   24   23   25   64   65                                       
CONECT   25   26   24                                                 
CONECT   26   30   27   25   66                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   67   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   23   26   71                                       
CONECT   31   32   18   72   73                                       
CONECT   32   39   40   33   31                                       
CONECT   33   34   32   74   75                                       
CONECT   34   41   35   33   76                                       
CONECT   35   36   34   77   78                                       
CONECT   36   37   35   40   79                                       
CONECT   37   38   36   80   81                                       
CONECT   38   37   41   39   82                                       
CONECT   39   38   32   83   84                                       
CONECT   40   36   32   85   86                                       
CONECT   41   38   34   87   88                                       
CONECT   42    1   43                                                 
CONECT   43   42   89   90   91                                       
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
