COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.913  -6.676   6.424  1.00  0.00           O  
HETATM    2  O   UNL     1       9.800  -1.926   4.030  1.00  0.00           O  
HETATM    3  C   UNL     1       8.781  -4.645   6.864  1.00  0.00           C  
HETATM    4  C   UNL     1       8.072  -5.960   7.161  1.00  0.00           C  
HETATM    5  C   UNL     1       6.748  -5.781   6.466  1.00  0.00           C  
HETATM    6  C   UNL     1       6.629  -4.406   5.794  1.00  0.00           C  
HETATM    7  C   UNL     1       5.207  -3.771   5.665  1.00  0.00           C  
HETATM    8  C   UNL     1       4.671  -3.457   7.111  1.00  0.00           C  
HETATM    9  C   UNL     1       5.651  -2.582   7.912  1.00  0.00           C  
HETATM   10  C   UNL     1       7.039  -3.205   8.003  1.00  0.00           C  
HETATM   11  C   UNL     1       7.666  -3.589   6.624  1.00  0.00           C  
HETATM   12  C   UNL     1       8.259  -2.311   5.902  1.00  0.00           C  
HETATM   13  C   UNL     1       8.520  -2.495   4.362  1.00  0.00           C  
HETATM   14  C   UNL     1       7.444  -1.885   3.391  1.00  0.00           C  
HETATM   15  C   UNL     1       6.051  -2.585   3.455  1.00  0.00           C  
HETATM   16  C   UNL     1       5.262  -2.464   4.779  1.00  0.00           C  
HETATM   17  C   UNL     1       4.248  -4.784   4.975  1.00  0.00           C  
HETATM   18  C   UNL     1       3.274  -2.828   7.182  1.00  0.00           C  
HETATM   19  C   UNL     1       9.520  -1.780   6.627  1.00  0.00           C  
HETATM   20  C   UNL     1       7.936  -2.033   1.926  1.00  0.00           C  
HETATM   21  C   UNL     1       7.280  -0.398   3.626  1.00  0.00           C  
HETATM   22  C   UNL     1       7.069   0.495   2.653  1.00  0.00           C  
HETATM   23  O   UNL     1       3.927  -2.062   4.430  1.00  0.00           O  
HETATM   24  C   UNL     1       3.834  -0.911   3.701  1.00  0.00           C  
HETATM   25  O   UNL     1       4.612   0.031   3.754  1.00  0.00           O  
HETATM   26  C   UNL     1       2.608  -1.009   2.828  1.00  0.00           C  
HETATM   27  S   UNL     1       2.395   0.479   1.823  1.00  0.00           S  
HETATM   28  C   UNL     1       0.866  -0.006   0.939  1.00  0.00           C  
HETATM   29  C   UNL     1       1.083  -1.285   0.124  1.00  0.00           C  
HETATM   30  C   UNL     1       1.897  -1.050  -1.151  1.00  0.00           C  
HETATM   31  C   UNL     1       1.221   1.271  -1.245  1.00  0.00           C  
HETATM   32  C   UNL     1       0.382   1.127   0.027  1.00  0.00           C  
HETATM   33  N   UNL     1       1.308   0.005  -1.974  1.00  0.00           N  
HETATM   34  H   UNL     1      10.180  -2.508   3.359  1.00  0.00           H  
HETATM   35  H   UNL     1       9.451  -4.375   7.687  1.00  0.00           H  
HETATM   36  H   UNL     1       9.399  -4.768   5.967  1.00  0.00           H  
HETATM   37  H   UNL     1       7.906  -6.103   8.232  1.00  0.00           H  
HETATM   38  H   UNL     1       8.617  -6.810   6.745  1.00  0.00           H  
HETATM   39  H   UNL     1       7.018  -4.622   4.795  1.00  0.00           H  
HETATM   40  H   UNL     1       4.592  -4.415   7.644  1.00  0.00           H  
HETATM   41  H   UNL     1       5.268  -2.453   8.933  1.00  0.00           H  
HETATM   42  H   UNL     1       5.716  -1.572   7.494  1.00  0.00           H  
HETATM   43  H   UNL     1       7.692  -2.530   8.564  1.00  0.00           H  
HETATM   44  H   UNL     1       6.947  -4.090   8.644  1.00  0.00           H  
HETATM   45  H   UNL     1       7.536  -1.501   6.026  1.00  0.00           H  
HETATM   46  H   UNL     1       8.635  -3.560   4.136  1.00  0.00           H  
HETATM   47  H   UNL     1       6.162  -3.635   3.162  1.00  0.00           H  
HETATM   48  H   UNL     1       5.431  -2.160   2.651  1.00  0.00           H  
HETATM   49  H   UNL     1       5.640  -1.628   5.364  1.00  0.00           H  
HETATM   50  H   UNL     1       3.426  -5.054   5.644  1.00  0.00           H  
HETATM   51  H   UNL     1       3.823  -4.352   4.064  1.00  0.00           H  
HETATM   52  H   UNL     1       4.786  -5.698   4.704  1.00  0.00           H  
HETATM   53  H   UNL     1       3.232  -2.073   7.972  1.00  0.00           H  
HETATM   54  H   UNL     1       3.020  -2.348   6.232  1.00  0.00           H  
HETATM   55  H   UNL     1       2.520  -3.592   7.395  1.00  0.00           H  
HETATM   56  H   UNL     1      10.213  -1.327   5.911  1.00  0.00           H  
HETATM   57  H   UNL     1       9.248  -1.023   7.368  1.00  0.00           H  
HETATM   58  H   UNL     1      10.040  -2.595   7.140  1.00  0.00           H  
HETATM   59  H   UNL     1       7.103  -2.290   1.265  1.00  0.00           H  
HETATM   60  H   UNL     1       8.380  -1.098   1.573  1.00  0.00           H  
HETATM   61  H   UNL     1       8.690  -2.822   1.852  1.00  0.00           H  
HETATM   62  H   UNL     1       7.340  -0.049   4.653  1.00  0.00           H  
HETATM   63  H   UNL     1       6.960   1.548   2.888  1.00  0.00           H  
HETATM   64  H   UNL     1       7.002   0.196   1.613  1.00  0.00           H  
HETATM   65  H   UNL     1       1.725  -1.132   3.461  1.00  0.00           H  
HETATM   66  H   UNL     1       2.710  -1.870   2.161  1.00  0.00           H  
HETATM   67  H   UNL     1       0.113  -0.194   1.713  1.00  0.00           H  
HETATM   68  H   UNL     1       0.099  -1.682  -0.163  1.00  0.00           H  
HETATM   69  H   UNL     1       1.557  -2.065   0.733  1.00  0.00           H  
HETATM   70  H   UNL     1       2.939  -0.808  -0.911  1.00  0.00           H  
HETATM   71  H   UNL     1       1.917  -1.978  -1.733  1.00  0.00           H  
HETATM   72  H   UNL     1       0.752   2.017  -1.895  1.00  0.00           H  
HETATM   73  H   UNL     1       2.225   1.643  -1.012  1.00  0.00           H  
HETATM   74  H   UNL     1       0.351   2.082   0.566  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.655   0.912  -0.267  1.00  0.00           H  
HETATM   76  H   UNL     1       1.876   0.137  -2.810  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2   13   34                                                 
CONECT    3   11    4   35   36                                       
CONECT    4    3    5   37   38                                       
CONECT    5    1    1    4    6                                       
CONECT    6    5   11    7   39                                       
CONECT    7    6    8   16   17                                       
CONECT    8    7    9   18   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11    3    6   10   12                                       
CONECT   12   11   19   13   45                                       
CONECT   13    2   12   14   46                                       
CONECT   14   13   21   15   20                                       
CONECT   15   14   16   47   48                                       
CONECT   16    7   15   23   49                                       
CONECT   17    7   50   51   52                                       
CONECT   18    8   53   54   55                                       
CONECT   19   12   56   57   58                                       
CONECT   20   14   59   60   61                                       
CONECT   21   14   22   22   62                                       
CONECT   22   21   21   63   64                                       
CONECT   23   16   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   65   66                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   32   67                                       
CONECT   29   28   30   68   69                                       
CONECT   30   29   33   70   71                                       
CONECT   31   32   33   72   73                                       
CONECT   32   28   31   74   75                                       
CONECT   33   30   31   76                                            
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
