COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.228   1.311   2.263  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.709   1.829   4.075  1.00  0.00           C  
HETATM    3  C   UNL     1       0.769   0.256   1.777  1.00  0.00           C  
HETATM    4  C   UNL     1       1.377   0.713   0.448  1.00  0.00           C  
HETATM    5  C   UNL     1       0.250   0.956  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.727   1.985   0.016  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.888   2.188  -0.959  1.00  0.00           C  
HETATM    8  O   UNL     1      -0.841   0.866   3.475  1.00  0.00           O  
HETATM    9  O   UNL     1       0.092  -0.989   1.590  1.00  0.00           O  
HETATM   10  O   UNL     1       2.253  -0.300  -0.050  1.00  0.00           O  
HETATM   11  O   UNL     1       0.800   1.452  -1.782  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.232   1.512   1.266  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.738   3.231  -0.477  1.00  0.00           O  
HETATM   14  C   UNL     1       3.608  -0.160   0.383  1.00  0.00           C  
HETATM   15  C   UNL     1       4.496  -1.134  -0.396  1.00  0.00           C  
HETATM   16  C   UNL     1       4.056  -2.569  -0.091  1.00  0.00           C  
HETATM   17  C   UNL     1       4.125  -2.802   1.421  1.00  0.00           C  
HETATM   18  C   UNL     1       3.251  -1.764   2.130  1.00  0.00           C  
HETATM   19  C   UNL     1       3.362  -1.952   3.644  1.00  0.00           C  
HETATM   20  O   UNL     1       5.858  -0.958  -0.002  1.00  0.00           O  
HETATM   21  O   UNL     1       4.926  -3.487  -0.757  1.00  0.00           O  
HETATM   22  O   UNL     1       3.648  -4.115   1.724  1.00  0.00           O  
HETATM   23  O   UNL     1       3.695  -0.451   1.779  1.00  0.00           O  
HETATM   24  O   UNL     1       2.461  -1.060   4.302  1.00  0.00           O  
HETATM   25  C   UNL     1       6.569   0.007  -0.781  1.00  0.00           C  
HETATM   26  C   UNL     1       7.970   0.202  -0.197  1.00  0.00           C  
HETATM   27  C   UNL     1       8.746   1.192  -1.071  1.00  0.00           C  
HETATM   28  C   UNL     1       8.783   0.665  -2.509  1.00  0.00           C  
HETATM   29  C   UNL     1       7.351   0.452  -3.004  1.00  0.00           C  
HETATM   30  C   UNL     1       7.381  -0.131  -4.418  1.00  0.00           C  
HETATM   31  C   UNL     1       7.690  -0.110   2.204  1.00  0.00           C  
HETATM   32  C   UNL     1       7.580   0.434   3.605  1.00  0.00           C  
HETATM   33  N   UNL     1       7.864   0.731   1.165  1.00  0.00           N  
HETATM   34  O   UNL     1      10.080   1.325  -0.576  1.00  0.00           O  
HETATM   35  O   UNL     1       9.442   1.616  -3.349  1.00  0.00           O  
HETATM   36  O   UNL     1       6.676  -0.455  -2.129  1.00  0.00           O  
HETATM   37  O   UNL     1       6.047  -0.222  -4.924  1.00  0.00           O  
HETATM   38  O   UNL     1       7.621  -1.306   2.010  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.860   3.503  -1.319  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.780   2.411  -1.254  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.270   2.139   0.061  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.219   0.941   0.014  1.00  0.00           C  
HETATM   43  S   UNL     1      -5.295  -0.544  -0.471  1.00  0.00           S  
HETATM   44  C   UNL     1      -6.021   3.365   0.588  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.462   3.117   1.924  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.081   4.574   0.576  1.00  0.00           C  
HETATM   47  O   UNL     1      -5.794   5.739   0.997  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.554   4.783  -0.848  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.644   5.084  -1.721  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.569  -1.835  -0.470  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.906  -3.207  -0.619  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.990  -4.286  -0.678  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.944  -3.974  -1.836  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.529  -2.572  -1.640  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.343  -2.536  -0.345  1.00  0.00           C  
HETATM   56  O   UNL     1      -5.052  -3.448   0.502  1.00  0.00           O  
HETATM   57  O   UNL     1      -7.719  -4.300   0.551  1.00  0.00           O  
HETATM   58  O   UNL     1      -7.228  -4.024  -3.071  1.00  0.00           O  
HETATM   59  O   UNL     1      -7.466  -1.620  -1.562  1.00  0.00           O  
HETATM   60  O   UNL     1     -10.013  -1.278  -0.240  1.00  0.00           O  
HETATM   61  H   UNL     1       0.296   2.250   2.445  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.512   2.077   3.381  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.135   1.415   4.989  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.144   2.730   4.313  1.00  0.00           H  
HETATM   65  H   UNL     1       1.559   0.133   2.517  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.322  -1.336   2.392  1.00  0.00           H  
HETATM   67  H   UNL     1       1.935   1.637   0.601  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.277   0.021  -0.751  1.00  0.00           H  
HETATM   69  H   UNL     1       0.140   1.633  -2.466  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.209   2.932   0.168  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.459   1.263  -1.042  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.496   2.462  -1.939  1.00  0.00           H  
HETATM   73  H   UNL     1       3.944   0.861   0.203  1.00  0.00           H  
HETATM   74  H   UNL     1       4.397  -0.942  -1.465  1.00  0.00           H  
HETATM   75  H   UNL     1       3.033  -2.720  -0.437  1.00  0.00           H  
HETATM   76  H   UNL     1       5.156  -2.703   1.759  1.00  0.00           H  
HETATM   77  H   UNL     1       2.214  -1.891   1.823  1.00  0.00           H  
HETATM   78  H   UNL     1       3.109  -2.981   3.902  1.00  0.00           H  
HETATM   79  H   UNL     1       4.382  -1.738   3.963  1.00  0.00           H  
HETATM   80  H   UNL     1       4.709  -4.417  -0.602  1.00  0.00           H  
HETATM   81  H   UNL     1       3.659  -4.329   2.667  1.00  0.00           H  
HETATM   82  H   UNL     1       2.477  -1.125   5.267  1.00  0.00           H  
HETATM   83  H   UNL     1       6.032   0.955  -0.763  1.00  0.00           H  
HETATM   84  H   UNL     1       8.493  -0.754  -0.177  1.00  0.00           H  
HETATM   85  H   UNL     1       8.251   2.163  -1.051  1.00  0.00           H  
HETATM   86  H   UNL     1       9.323  -0.281  -2.537  1.00  0.00           H  
HETATM   87  H   UNL     1       6.824   1.406  -3.015  1.00  0.00           H  
HETATM   88  H   UNL     1       7.971   0.517  -5.066  1.00  0.00           H  
HETATM   89  H   UNL     1       7.828  -1.124  -4.392  1.00  0.00           H  
HETATM   90  H   UNL     1       6.534   0.641   3.833  1.00  0.00           H  
HETATM   91  H   UNL     1       7.968  -0.300   4.311  1.00  0.00           H  
HETATM   92  H   UNL     1       8.158   1.355   3.683  1.00  0.00           H  
HETATM   93  H   UNL     1       7.918   1.687   1.320  1.00  0.00           H  
HETATM   94  H   UNL     1      10.631   1.933  -1.087  1.00  0.00           H  
HETATM   95  H   UNL     1       9.498   1.349  -4.276  1.00  0.00           H  
HETATM   96  H   UNL     1       5.990  -0.585  -5.819  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.520   3.631  -2.347  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.432   1.914   0.721  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.009   1.131  -0.713  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.661   0.788   0.999  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.883   3.566  -0.048  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.946   3.853   2.322  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.246   4.394   1.252  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.259   6.544   1.012  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.842   5.609  -0.855  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.383   5.229  -2.641  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.123  -1.799   0.468  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.318  -3.230  -1.536  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.528  -5.260  -0.839  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.750  -4.707  -1.852  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.175  -2.328  -2.483  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.078  -3.340  -0.355  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.675  -2.664   0.507  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.341  -2.801   0.601  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.175  -4.486   1.328  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.826  -4.883  -3.258  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.550  -1.184   0.559  1.00  0.00           H  
CONECT    1   12    8    3   61                                       
CONECT    2    8   62   63   64                                       
CONECT    3    1    9    4   65                                       
CONECT    4    5    3   10   67                                       
CONECT    5    6   11    4   68                                       
CONECT    6    7    5   12   70                                       
CONECT    7   13    6   71   72                                       
CONECT    8    1    2                                                 
CONECT    9    3   66                                                 
CONECT   10    4   14                                                 
CONECT   11    5   69                                                 
CONECT   12    6    1                                                 
CONECT   13   39    7                                                 
CONECT   14   10   23   15   73                                       
CONECT   15   14   16   20   74                                       
CONECT   16   17   21   15   75                                       
CONECT   17   18   22   16   76                                       
CONECT   18   23   19   17   77                                       
CONECT   19   18   24   78   79                                       
CONECT   20   15   25                                                 
CONECT   21   16   80                                                 
CONECT   22   17   81                                                 
CONECT   23   14   18                                                 
CONECT   24   19   82                                                 
CONECT   25   20   36   26   83                                       
CONECT   26   25   27   33   84                                       
CONECT   27   28   34   26   85                                       
CONECT   28   29   35   27   86                                       
CONECT   29   36   30   28   87                                       
CONECT   30   29   37   88   89                                       
CONECT   31   33   38   38   32                                       
CONECT   32   31   90   91   92                                       
CONECT   33   26   31   93                                            
CONECT   34   27   94                                                 
CONECT   35   28   95                                                 
CONECT   36   25   29                                                 
CONECT   37   30   96                                                 
CONECT   38   31   31                                                 
CONECT   39   40   48   13   97                                       
CONECT   40   41   39                                                 
CONECT   41   42   40   44   98                                       
CONECT   42   43   41   99  100                                       
CONECT   43   50   42                                                 
CONECT   44   41   45   46  101                                       
CONECT   45   44  102                                                 
CONECT   46   44   47   48  103                                       
CONECT   47   46  104                                                 
CONECT   48   46   49   39  105                                       
CONECT   49   48  106                                                 
CONECT   50   51   59   43  107                                       
CONECT   51   56   52   50  108                                       
CONECT   52   51   57   53  109                                       
CONECT   53   52   58   54  110                                       
CONECT   54   53   55   59  111                                       
CONECT   55   54   60  112  113                                       
CONECT   56   51  114                                                 
CONECT   57   52  115                                                 
CONECT   58   53  116                                                 
CONECT   59   54   50                                                 
CONECT   60   55  117                                                 
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    2                                                      
CONECT   65    3                                                      
CONECT   66    9                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69   11                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    7                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   39                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   42                                                      
CONECT  101   44                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   47                                                      
CONECT  105   48                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   55                                                      
CONECT  113   55                                                      
CONECT  114   56                                                      
CONECT  115   57                                                      
CONECT  116   58                                                      
CONECT  117   60                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
