COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.654  -2.266  -0.690  1.00  0.00           C  
HETATM    2  O   UNL     1       3.358  -1.983  -0.160  1.00  0.00           O  
HETATM    3  C   UNL     1       5.659  -2.391   0.458  1.00  0.00           C  
HETATM    4  O   UNL     1       5.746  -1.146   1.154  1.00  0.00           O  
HETATM    5  C   UNL     1       7.033  -2.754  -0.115  1.00  0.00           C  
HETATM    6  C   UNL     1       6.911  -4.049  -0.924  1.00  0.00           C  
HETATM    7  O   UNL     1       6.516  -5.117  -0.060  1.00  0.00           O  
HETATM    8  C   UNL     1       5.857  -3.860  -2.018  1.00  0.00           C  
HETATM    9  C   UNL     1       5.686  -5.168  -2.793  1.00  0.00           C  
HETATM   10  O   UNL     1       4.790  -4.961  -3.886  1.00  0.00           O  
HETATM   11  O   UNL     1       4.612  -3.494  -1.421  1.00  0.00           O  
HETATM   12  O   UNL     1       0.540  -3.807  -0.305  1.00  0.00           O  
HETATM   13  C   UNL     1       0.662  -2.604   0.455  1.00  0.00           C  
HETATM   14  C   UNL     1       1.023  -1.446  -0.477  1.00  0.00           C  
HETATM   15  N   UNL     1       1.127  -0.208   0.299  1.00  0.00           N  
HETATM   16  C   UNL     1       2.363  -1.736  -1.156  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.647  -2.308   1.140  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.637  -3.163   1.061  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.946  -2.866   1.746  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.084  -2.943   0.726  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.413  -2.642   1.422  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.551  -2.718   0.402  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.880  -2.418   1.098  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.018  -2.494   0.078  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.347  -2.193   0.774  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.486  -2.269  -0.246  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.815  -1.969   0.450  1.00  0.00           C  
HETATM   28  C   UNL     1     -13.953  -2.045  -0.570  1.00  0.00           C  
HETATM   29  C   UNL     1     -15.282  -1.744   0.126  1.00  0.00           C  
HETATM   30  C   UNL     1     -16.420  -1.820  -0.894  1.00  0.00           C  
HETATM   31  C   UNL     1     -17.749  -1.520  -0.198  1.00  0.00           C  
HETATM   32  C   UNL     1       0.273  14.714  -0.019  1.00  0.00           C  
HETATM   33  C   UNL     1       0.165  13.422  -0.830  1.00  0.00           C  
HETATM   34  C   UNL     1       0.427  12.223   0.084  1.00  0.00           C  
HETATM   35  C   UNL     1       0.318  10.930  -0.726  1.00  0.00           C  
HETATM   36  C   UNL     1       0.580   9.731   0.188  1.00  0.00           C  
HETATM   37  C   UNL     1       0.472   8.438  -0.623  1.00  0.00           C  
HETATM   38  C   UNL     1       0.733   7.240   0.291  1.00  0.00           C  
HETATM   39  C   UNL     1       0.625   5.947  -0.520  1.00  0.00           C  
HETATM   40  C   UNL     1       0.887   4.748   0.394  1.00  0.00           C  
HETATM   41  C   UNL     1       0.778   3.455  -0.417  1.00  0.00           C  
HETATM   42  C   UNL     1       1.040   2.256   0.497  1.00  0.00           C  
HETATM   43  C   UNL     1       0.933   0.983  -0.302  1.00  0.00           C  
HETATM   44  O   UNL     1       0.673   1.029  -1.485  1.00  0.00           O  
HETATM   45  S   UNL     1       8.785  -1.709   1.288  1.00  0.00           S  
HETATM   46  O   UNL     1       7.961  -2.945   0.955  1.00  0.00           O  
HETATM   47  O   UNL     1       7.872  -0.748   2.036  1.00  0.00           O  
HETATM   48  O   UNL     1       9.777  -2.125   2.216  1.00  0.00           O  
HETATM   49  O   UNL     1       9.093  -1.086   0.048  1.00  0.00           O  
HETATM   50  H   UNL     1       4.959  -1.458  -1.355  1.00  0.00           H  
HETATM   51  H   UNL     1       5.333  -3.172   1.144  1.00  0.00           H  
HETATM   52  H   UNL     1       4.909  -0.852   1.539  1.00  0.00           H  
HETATM   53  H   UNL     1       7.382  -1.951  -0.763  1.00  0.00           H  
HETATM   54  H   UNL     1       7.872  -4.286  -1.380  1.00  0.00           H  
HETATM   55  H   UNL     1       6.419  -5.969  -0.507  1.00  0.00           H  
HETATM   56  H   UNL     1       6.179  -3.073  -2.700  1.00  0.00           H  
HETATM   57  H   UNL     1       6.654  -5.495  -3.173  1.00  0.00           H  
HETATM   58  H   UNL     1       5.280  -5.933  -2.130  1.00  0.00           H  
HETATM   59  H   UNL     1       4.634  -5.750  -4.423  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.080  -3.744  -1.045  1.00  0.00           H  
HETATM   61  H   UNL     1       1.444  -2.725   1.204  1.00  0.00           H  
HETATM   62  H   UNL     1       0.248  -1.335  -1.236  1.00  0.00           H  
HETATM   63  H   UNL     1       1.334  -0.245   1.246  1.00  0.00           H  
HETATM   64  H   UNL     1       2.658  -0.878  -1.759  1.00  0.00           H  
HETATM   65  H   UNL     1       2.264  -2.613  -1.795  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.770  -1.391   1.697  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.514  -4.080   0.503  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.116  -3.598   2.536  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.912  -1.866   2.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.914  -2.211  -0.064  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.118  -3.943   0.294  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.583  -3.374   2.212  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.379  -1.642   1.854  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.381  -1.987  -0.388  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.585  -3.718  -0.030  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.050  -3.149   1.888  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.846  -1.417   1.530  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.848  -1.762  -0.712  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.052  -3.494  -0.354  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.518  -2.924   1.564  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.313  -1.193   1.206  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.315  -1.538  -1.036  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.520  -3.269  -0.678  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.985  -2.700   1.240  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.780  -0.968   0.882  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.782  -1.313  -1.360  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.987  -3.045  -1.002  1.00  0.00           H  
HETATM   88  H   UNL     1     -15.452  -2.476   0.916  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.248  -0.744   0.558  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.250  -1.089  -1.684  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.454  -2.820  -1.326  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.715  -0.519   0.234  1.00  0.00           H  
HETATM   93  H   UNL     1     -18.560  -1.574  -0.925  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.919  -2.251   0.591  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.463  14.702   0.785  1.00  0.00           H  
HETATM   96  H   UNL     1       1.274  14.794   0.407  1.00  0.00           H  
HETATM   97  H   UNL     1       0.087  15.568  -0.670  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.836  13.342  -1.255  1.00  0.00           H  
HETATM   99  H   UNL     1       0.901  13.434  -1.633  1.00  0.00           H  
HETATM  100  H   UNL     1       1.427  12.302   0.510  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.310  12.211   0.888  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.682  10.851  -1.152  1.00  0.00           H  
HETATM  103  H   UNL     1       1.055  10.942  -1.530  1.00  0.00           H  
HETATM  104  H   UNL     1       1.580   9.810   0.613  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.157   9.719   0.991  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.529   8.359  -1.049  1.00  0.00           H  
HETATM  107  H   UNL     1       1.208   8.450  -1.427  1.00  0.00           H  
HETATM  108  H   UNL     1       1.734   7.319   0.716  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.003   7.227   1.094  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.375   5.867  -0.946  1.00  0.00           H  
HETATM  111  H   UNL     1       1.362   5.959  -1.324  1.00  0.00           H  
HETATM  112  H   UNL     1       1.887   4.827   0.819  1.00  0.00           H  
HETATM  113  H   UNL     1       0.150   4.736   1.197  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.222   3.376  -0.843  1.00  0.00           H  
HETATM  115  H   UNL     1       1.515   3.467  -1.220  1.00  0.00           H  
HETATM  116  H   UNL     1       2.040   2.335   0.923  1.00  0.00           H  
HETATM  117  H   UNL     1       0.303   2.244   1.300  1.00  0.00           H  
HETATM  118  H   UNL     1       8.301   0.079   2.297  1.00  0.00           H  
CONECT    1    2   11    3   50                                       
CONECT    2   16    1                                                 
CONECT    3    1    4    5   51                                       
CONECT    4    3   52                                                 
CONECT    5    3    6   46   53                                       
CONECT    6    8    5    7   54                                       
CONECT    7    6   55                                                 
CONECT    8   11    9    6   56                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   59                                                 
CONECT   11    1    8                                                 
CONECT   12   13   60                                                 
CONECT   13   17   14   12   61                                       
CONECT   14   15   13   16   62                                       
CONECT   15   43   14   63                                            
CONECT   16   14    2   64   65                                       
CONECT   17   18   18   13   66                                       
CONECT   18   17   17   19   67                                       
CONECT   19   18   20   68   69                                       
CONECT   20   21   19   70   71                                       
CONECT   21   22   20   72   73                                       
CONECT   22   23   21   74   75                                       
CONECT   23   22   24   76   77                                       
CONECT   24   23   25   78   79                                       
CONECT   25   26   24   80   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   26   28   84   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   30   88   89                                       
CONECT   30   29   31   90   91                                       
CONECT   31   30   92   93   94                                       
CONECT   32   33   95   96   97                                       
CONECT   33   32   34   98   99                                       
CONECT   34   33   35  100  101                                       
CONECT   35   34   36  102  103                                       
CONECT   36   35   37  104  105                                       
CONECT   37   36   38  106  107                                       
CONECT   38   37   39  108  109                                       
CONECT   39   38   40  110  111                                       
CONECT   40   39   41  112  113                                       
CONECT   41   40   42  114  115                                       
CONECT   42   41   43  116  117                                       
CONECT   43   44   44   42   15                                       
CONECT   44   43   43                                                 
CONECT   45   46   49   49   48                                       
CONECT   45   48   47                                                 
CONECT   46    5   45                                                 
CONECT   47   45  118                                                 
CONECT   48   45   45                                                 
CONECT   49   45   45                                                 
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   37                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   40                                                      
CONECT  113   40                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   42                                                      
CONECT  118   47                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
