COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.606   0.540  -4.326  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.353   0.112  -3.902  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.094  -1.245  -3.807  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.088  -2.181  -4.130  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.470  -3.309  -5.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.756  -3.012  -5.931  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.126  -1.691  -6.125  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.205  -0.679  -5.866  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.916   0.017  -5.111  1.00  0.00           C  
HETATM   10  N   UNL     1      -5.235   1.383  -5.244  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.314  -2.675  -4.803  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.534  -2.313  -5.223  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.895  -0.969  -5.408  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.634  -0.379  -4.641  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.370  -1.758  -4.525  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.673   2.069  -4.035  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.978   3.537  -4.339  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.757   4.395  -4.693  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.870   4.547  -3.539  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.754   5.457  -3.794  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.141   6.937  -3.925  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.115   7.500  -2.879  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.532   7.822  -1.498  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.098   6.626  -0.786  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.905   6.875   0.640  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.300   5.657   1.352  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.179   4.400   1.330  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.742  -3.654  -4.056  1.00  0.00           C  
HETATM   29  S   UNL     1      -2.182  -4.379  -2.450  1.00  0.00           S  
HETATM   30  C   UNL     1      -2.000  -6.140  -2.882  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.182  -7.048  -1.669  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.545  -7.042  -1.164  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.902  -6.467   0.043  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.135  -5.897   0.817  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.381  -6.595   0.351  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.266  -5.725  -0.547  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.918  -4.227  -0.513  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.957  -3.723   0.820  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.747  -3.443  -1.438  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.137  -3.289  -1.003  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.910  -2.320  -1.903  1.00  0.00           C  
HETATM   42  S   UNL     1      -8.126  -0.689  -2.151  1.00  0.00           S  
HETATM   43  C   UNL     1      -8.071  -0.077  -0.437  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.738   1.271  -0.071  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.083   0.042  -0.066  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.825  -1.123  -0.143  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.215  -1.050  -0.229  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.342   1.251  -0.356  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.101   2.430  -0.388  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.476   3.665  -0.341  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.090   3.727  -0.259  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.876   2.578  -0.146  1.00  0.00           C  
HETATM   53  N   UNL     1      -5.229   0.158  -0.292  1.00  0.00           N  
HETATM   54  C   UNL     1      -5.937   1.302  -0.284  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.297   2.556  -0.216  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.150   1.357  -0.154  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.890   0.167  -0.231  1.00  0.00           C  
HETATM   58  N   UNL     1      -3.184   3.794   0.003  1.00  0.00           N  
HETATM   59  H   UNL     1      -2.765   1.612  -4.413  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.582   0.836  -3.660  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.108  -1.576  -3.490  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.200  -4.355  -5.339  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.464  -3.812  -6.126  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.124  -1.446  -6.473  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.521   0.351  -6.024  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.585   1.895  -5.833  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.930   1.982  -3.238  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.596   1.603  -3.673  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.689   3.589  -5.175  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.488   3.980  -3.474  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.212   3.970  -5.542  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.134   5.374  -5.007  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.497   3.635  -3.279  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.200   5.140  -4.686  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.049   5.358  -2.960  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.598   7.083  -4.913  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.226   7.542  -3.930  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.506   8.445  -3.282  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.989   6.847  -2.773  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.690   8.515  -1.605  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.314   8.337  -0.926  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.783   5.882  -0.909  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.860   7.135   1.112  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.223   7.723   0.779  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.132   5.935   2.399  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.314   5.433   0.926  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.768   3.682   2.050  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.192   4.653   1.662  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.250  -4.196  -4.861  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.668  -3.794  -4.220  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.997  -6.292  -3.295  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.736  -6.389  -3.654  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.972  -8.082  -1.963  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.481  -6.785  -0.869  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.256  -7.506  -1.723  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.669  -7.648   0.242  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.535  -6.334   1.404  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.208  -6.089  -1.580  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.298  -5.876  -0.209  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.886  -4.103  -0.851  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.012  -2.758   0.747  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.721  -3.858  -2.368  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.190  -2.934   0.031  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.651  -4.257  -1.031  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.031  -2.767  -2.897  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.917  -2.163  -1.502  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.573  -0.797   0.218  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.097   0.032  -0.066  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.125   2.167  -0.003  1.00  0.00           H  
HETATM  110  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.329  -2.088  -0.135  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.778  -1.979  -0.287  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.185   2.386  -0.456  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.063   4.578  -0.375  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.634   4.713  -0.241  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.316   3.867  -0.519  1.00  0.00           H  
CONECT    1    2    2   14   59                                       
CONECT    2    1    1    3   60                                       
CONECT    3    2    4    4   61                                       
CONECT    4    3    3   15   28                                       
CONECT    5    6    6   12   62                                       
CONECT    6    5    5    7   63                                       
CONECT    7    6    8    8   64                                       
CONECT    8    7    7   13   65                                       
CONECT    9   10   13   13   14                                       
CONECT   10    9   16   66                                            
CONECT   11   12   12   15                                            
CONECT   12    5   11   11   13                                       
CONECT   13    8    9    9   12                                       
CONECT   14    1    9   15   15                                       
CONECT   15    4   11   14   14                                       
CONECT   16   10   17   67   68                                       
CONECT   17   16   18   69   70                                       
CONECT   18   17   19   71   72                                       
CONECT   19   18   20   73                                            
CONECT   20   19   21   74   75                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   22   24   80   81                                       
CONECT   24   23   25   82                                            
CONECT   25   24   26   83   84                                       
CONECT   26   25   27   85   86                                       
CONECT   27   26   58   87   88                                       
CONECT   28    4   29   89   90                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   91   92                                       
CONECT   31   30   32   93   94                                       
CONECT   32   31   33   95                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   96   97                                       
CONECT   36   35   37   98   99                                       
CONECT   37   36   38   39  100                                       
CONECT   38   37  101                                                 
CONECT   39   37   40  102                                            
CONECT   40   39   41  103  104                                       
CONECT   41   40   42  105  106                                       
CONECT   42   41   43                                                 
CONECT   43   42   48  107  108                                       
CONECT   44   45   45   56  109                                       
CONECT   45   44   44   46  110                                       
CONECT   46   45   47   47  111                                       
CONECT   47   46   46   57  112                                       
CONECT   48   43   49   49   54                                       
CONECT   49   48   48   50  113                                       
CONECT   50   49   51   51  114                                       
CONECT   51   50   50   55  115                                       
CONECT   52   55   55   56   58                                       
CONECT   53   54   54   57                                            
CONECT   54   48   53   53   55                                       
CONECT   55   51   52   52   54                                       
CONECT   56   44   52   57   57                                       
CONECT   57   47   53   56   56                                       
CONECT   58   27   52  116                                            
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66   10                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   58                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
