COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.346   4.670   1.227  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.342   4.639   0.278  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.299   3.739   0.403  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.266   2.865   1.473  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.269   2.897   2.423  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.309   3.799   2.300  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.153   0.008   0.352  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.319  -0.358   0.920  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.499   0.580   0.892  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.132   1.882   1.607  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.420  -1.443   1.454  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.637  -0.046   1.570  1.00  0.00           N  
HETATM   13  C   UNL     1       2.269  -0.110   0.269  1.00  0.00           C  
HETATM   14  N   UNL     1       3.459  -0.743   0.273  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.255  -2.844  -1.591  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.316  -2.758  -0.619  1.00  0.00           C  
HETATM   17  C   UNL     1       0.896  -1.880  -0.795  1.00  0.00           C  
HETATM   18  C   UNL     1       0.993  -0.904   0.380  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.405  -3.989  -0.843  1.00  0.00           S  
HETATM   20  N   UNL     1      -1.883  -5.031   1.727  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.545  -4.232   0.646  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.484  -3.465   0.483  1.00  0.00           N  
HETATM   23  O   UNL     1       2.225   1.098   0.177  1.00  0.00           O  
HETATM   24  C   UNL     1       4.700   0.028   0.166  1.00  0.00           C  
HETATM   25  C   UNL     1       5.010   0.292  -1.309  1.00  0.00           C  
HETATM   26  C   UNL     1       5.848  -0.762   0.795  1.00  0.00           C  
HETATM   27  C   UNL     1       7.116   0.093   0.795  1.00  0.00           C  
HETATM   28  C   UNL     1       8.265  -0.697   1.425  1.00  0.00           C  
HETATM   29  C   UNL     1       9.561   0.109   1.313  1.00  0.00           C  
HETATM   30  C   UNL     1      10.683  -0.624   2.051  1.00  0.00           C  
HETATM   31  C   UNL     1       9.938   0.265  -0.162  1.00  0.00           C  
HETATM   32  O   UNL     1       6.077  -1.953   0.040  1.00  0.00           O  
HETATM   33  O   UNL     1       6.887   1.284   1.551  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.246  -1.259  -2.972  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.771  -1.863  -1.790  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.712  -1.835  -0.684  1.00  0.00           C  
HETATM   37  S   UNL     1      -5.176   0.225   1.025  1.00  0.00           S  
HETATM   38  N   UNL     1      -5.289  -0.437  -0.489  1.00  0.00           N  
HETATM   39  C   UNL     1      -4.976   0.351  -1.694  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.092   0.136  -2.715  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.023  -0.560   1.853  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.279   1.630   0.840  1.00  0.00           O  
HETATM   43  C   UNL     1       4.168   1.361  -3.411  1.00  0.00           C  
HETATM   44  C   UNL     1       3.923   1.188  -1.907  1.00  0.00           C  
HETATM   45  C   UNL     1       3.969   2.565  -1.243  1.00  0.00           C  
HETATM   46  C   UNL     1       3.101   3.531  -1.997  1.00  0.00           C  
HETATM   47  C   UNL     1       2.670   3.333  -3.202  1.00  0.00           C  
HETATM   48  C   UNL     1       2.975   2.108  -4.013  1.00  0.00           C  
HETATM   49  H   UNL     1      -6.159   5.374   1.131  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.370   5.319  -0.561  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.515   3.715  -0.339  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.241   2.216   3.262  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.094   3.823   3.042  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.073   0.875  -0.075  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.766   0.796  -0.142  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.950   1.678   2.663  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.231   2.301   1.158  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.488  -0.619   2.339  1.00  0.00           H  
HETATM   59  H   UNL     1       3.494  -1.710   0.347  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.298  -2.355  -2.553  1.00  0.00           H  
HETATM   61  H   UNL     1       0.808  -1.321  -1.726  1.00  0.00           H  
HETATM   62  H   UNL     1       1.792  -2.500  -0.827  1.00  0.00           H  
HETATM   63  H   UNL     1       0.992  -1.461   1.316  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.702  -5.551   1.709  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.301  -5.071   2.502  1.00  0.00           H  
HETATM   66  H   UNL     1       4.583   0.978   0.688  1.00  0.00           H  
HETATM   67  H   UNL     1       5.977   0.788  -1.394  1.00  0.00           H  
HETATM   68  H   UNL     1       5.039  -0.654  -1.849  1.00  0.00           H  
HETATM   69  H   UNL     1       5.588  -1.027   1.820  1.00  0.00           H  
HETATM   70  H   UNL     1       7.376   0.358  -0.230  1.00  0.00           H  
HETATM   71  H   UNL     1       8.382  -1.647   0.903  1.00  0.00           H  
HETATM   72  H   UNL     1       8.044  -0.885   2.476  1.00  0.00           H  
HETATM   73  H   UNL     1       9.416   1.093   1.757  1.00  0.00           H  
HETATM   74  H   UNL     1      11.606  -0.050   1.971  1.00  0.00           H  
HETATM   75  H   UNL     1      10.414  -0.736   3.102  1.00  0.00           H  
HETATM   76  H   UNL     1      10.828  -1.609   1.607  1.00  0.00           H  
HETATM   77  H   UNL     1       9.138   0.788  -0.688  1.00  0.00           H  
HETATM   78  H   UNL     1      10.861   0.840  -0.242  1.00  0.00           H  
HETATM   79  H   UNL     1      10.083  -0.719  -0.606  1.00  0.00           H  
HETATM   80  H   UNL     1       6.304  -1.675  -0.858  1.00  0.00           H  
HETATM   81  H   UNL     1       6.661   1.006   2.449  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.046  -2.897  -2.002  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.653  -1.313  -1.463  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.855  -2.440  -0.979  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.136  -2.223   0.242  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.911   1.409  -1.437  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.026   0.014  -2.110  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.842   0.650  -3.642  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.025   0.537  -2.318  1.00  0.00           H  
HETATM   90  H   UNL     1       5.079   1.937  -3.570  1.00  0.00           H  
HETATM   91  H   UNL     1       4.263   0.383  -3.882  1.00  0.00           H  
HETATM   92  H   UNL     1       2.945   0.735  -1.745  1.00  0.00           H  
HETATM   93  H   UNL     1       3.616   2.490  -0.214  1.00  0.00           H  
HETATM   94  H   UNL     1       4.997   2.927  -1.244  1.00  0.00           H  
HETATM   95  H   UNL     1       2.814   4.446  -1.501  1.00  0.00           H  
HETATM   96  H   UNL     1       2.054   4.097  -3.651  1.00  0.00           H  
HETATM   97  H   UNL     1       3.211   2.401  -5.036  1.00  0.00           H  
HETATM   98  H   UNL     1       2.104   1.452  -4.019  1.00  0.00           H  
CONECT    1    2    6    6   49                                       
CONECT    2    1    3    3   50                                       
CONECT    3    2    2    4   51                                       
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6   52                                       
CONECT    6    1    1    5   53                                       
CONECT    7    8   18   54                                            
CONECT    8    7    9   11   11                                       
CONECT    9    8   10   12   55                                       
CONECT   10    4    9   56   57                                       
CONECT   11    8    8                                                 
CONECT   12    9   37   58                                            
CONECT   13   14   18   23   23                                       
CONECT   14   13   24   59                                            
CONECT   15   16   16   19   60                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   61   62                                       
CONECT   18    7   13   17   63                                       
CONECT   19   15   21                                                 
CONECT   20   21   64   65                                            
CONECT   21   19   20   22   22                                       
CONECT   22   16   21   21                                            
CONECT   23   13   13                                                 
CONECT   24   14   25   26   66                                       
CONECT   25   24   44   67   68                                       
CONECT   26   24   27   32   69                                       
CONECT   27   26   28   33   70                                       
CONECT   28   27   29   71   72                                       
CONECT   29   28   30   31   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   29   77   78   79                                       
CONECT   32   26   80                                                 
CONECT   33   27   81                                                 
CONECT   34   35   40                                                 
CONECT   35   34   36   82   83                                       
CONECT   36   35   38   84   85                                       
CONECT   37   12   38   41   41                                       
CONECT   37   42   42                                                 
CONECT   38   36   37   39                                            
CONECT   39   38   40   86   87                                       
CONECT   40   34   39   88   89                                       
CONECT   41   37   37                                                 
CONECT   42   37   37                                                 
CONECT   43   44   48   90   91                                       
CONECT   44   25   43   45   92                                       
CONECT   45   44   46   93   94                                       
CONECT   46   45   47   47   95                                       
CONECT   47   46   46   48   96                                       
CONECT   48   43   47   97   98                                       
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
