COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.100   4.241   3.220  1.00  0.00           C  
HETATM    2  C   UNL     1       9.584   4.033   3.201  1.00  0.00           C  
HETATM    3  C   UNL     1       9.167   3.443   1.852  1.00  0.00           C  
HETATM    4  O   UNL     1       6.142   1.633  -1.708  1.00  0.00           O  
HETATM    5  O   UNL     1       4.015   1.589  -1.107  1.00  0.00           O  
HETATM    6  O   UNL     1       1.316   0.888  -1.898  1.00  0.00           O  
HETATM    7  C   UNL     1       7.651   3.235   1.834  1.00  0.00           C  
HETATM    8  C   UNL     1       7.234   2.646   0.485  1.00  0.00           C  
HETATM    9  C   UNL     1       5.719   2.438   0.466  1.00  0.00           C  
HETATM   10  C   UNL     1       5.308   1.857  -0.863  1.00  0.00           C  
HETATM   11  C   UNL     1       3.693   1.031  -2.408  1.00  0.00           C  
HETATM   12  C   UNL     1       2.283   1.465  -2.814  1.00  0.00           C  
HETATM   13  C   UNL     1       0.023   1.174  -2.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.038   0.610  -1.207  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.415   1.085  -1.673  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.492   0.513  -0.749  1.00  0.00           C  
HETATM   17  C   UNL     1       3.755  -0.496  -2.338  1.00  0.00           C  
HETATM   18  C   UNL     1       2.708  -2.397  -1.321  1.00  0.00           C  
HETATM   19  C   UNL     1       3.966  -2.260   0.716  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.291   1.883  -3.043  1.00  0.00           O  
HETATM   21  O   UNL     1       2.736  -0.975  -1.458  1.00  0.00           O  
HETATM   22  O   UNL     1       3.858  -2.828  -0.591  1.00  0.00           O  
HETATM   23  C   UNL     1       5.243  -2.769   1.390  1.00  0.00           C  
HETATM   24  S   UNL     1       6.690  -2.159   0.481  1.00  0.00           S  
HETATM   25  O   UNL     1       6.768  -2.769  -0.800  1.00  0.00           O  
HETATM   26  O   UNL     1       6.816  -0.751   0.632  1.00  0.00           O  
HETATM   27  O   UNL     1       7.881  -2.726   1.240  1.00  0.00           O  
HETATM   28  C   UNL     1       2.750  -2.670   1.551  1.00  0.00           C  
HETATM   29  O   UNL     1       2.828  -2.056   2.840  1.00  0.00           O  
HETATM   30  C   UNL     1       1.474  -2.209   0.841  1.00  0.00           C  
HETATM   31  O   UNL     1       0.331  -2.651   1.576  1.00  0.00           O  
HETATM   32  C   UNL     1       1.441  -2.812  -0.567  1.00  0.00           C  
HETATM   33  O   UNL     1       0.291  -2.331  -1.266  1.00  0.00           O  
HETATM   34  H   UNL     1      11.600   3.284   3.072  1.00  0.00           H  
HETATM   35  H   UNL     1      11.382   4.926   2.421  1.00  0.00           H  
HETATM   36  H   UNL     1      11.397   4.661   4.181  1.00  0.00           H  
HETATM   37  H   UNL     1       9.301   3.347   4.000  1.00  0.00           H  
HETATM   38  H   UNL     1       9.084   4.990   3.350  1.00  0.00           H  
HETATM   39  H   UNL     1       9.450   4.129   1.054  1.00  0.00           H  
HETATM   40  H   UNL     1       9.667   2.486   1.704  1.00  0.00           H  
HETATM   41  H   UNL     1       7.369   2.550   2.633  1.00  0.00           H  
HETATM   42  H   UNL     1       7.151   4.192   1.982  1.00  0.00           H  
HETATM   43  H   UNL     1       7.517   3.331  -0.314  1.00  0.00           H  
HETATM   44  H   UNL     1       7.734   1.689   0.336  1.00  0.00           H  
HETATM   45  H   UNL     1       5.436   1.752   1.265  1.00  0.00           H  
HETATM   46  H   UNL     1       5.219   3.395   0.614  1.00  0.00           H  
HETATM   47  H   UNL     1       4.410   1.391  -3.146  1.00  0.00           H  
HETATM   48  H   UNL     1       2.074   1.121  -3.827  1.00  0.00           H  
HETATM   49  H   UNL     1       2.213   2.553  -2.778  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.000  -0.479  -1.236  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.861   0.952  -0.187  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.453   2.174  -1.643  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.592   0.743  -2.692  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.455  -0.576  -0.778  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.316   0.855   0.271  1.00  0.00           H  
HETATM   56  H   UNL     1       3.601  -0.912  -3.334  1.00  0.00           H  
HETATM   57  H   UNL     1       4.732  -0.803  -1.964  1.00  0.00           H  
HETATM   58  H   UNL     1       2.710  -2.858  -2.309  1.00  0.00           H  
HETATM   59  H   UNL     1       4.004  -1.174   0.638  1.00  0.00           H  
HETATM   60  H   UNL     1       5.280  -2.407   2.417  1.00  0.00           H  
HETATM   61  H   UNL     1       5.245  -3.859   1.387  1.00  0.00           H  
HETATM   62  H   UNL     1       2.734  -3.754   1.664  1.00  0.00           H  
HETATM   63  H   UNL     1       2.088  -2.272   3.423  1.00  0.00           H  
HETATM   64  H   UNL     1       1.466  -1.122   0.774  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.513  -2.394   1.182  1.00  0.00           H  
HETATM   66  H   UNL     1       1.398  -3.899  -0.499  1.00  0.00           H  
HETATM   67  H   UNL     1       0.209  -2.669  -2.168  1.00  0.00           H  
HETATM   68  H   UNL     1       8.738  -2.481   0.866  1.00  0.00           H  
HETATM   69  C   UNL     1      -4.870   0.988  -1.215  1.00  0.00           C  
HETATM   70  C   UNL     1      -5.947   0.416  -0.291  1.00  0.00           C  
HETATM   71  C   UNL     1      -8.401   0.319   0.166  1.00  0.00           C  
HETATM   72  C   UNL     1     -10.855   0.222   0.624  1.00  0.00           C  
HETATM   73  C   UNL     1     -13.309   0.125   1.082  1.00  0.00           C  
HETATM   74  C   UNL     1      -7.324   0.891  -0.758  1.00  0.00           C  
HETATM   75  C   UNL     1      -9.778   0.794  -0.300  1.00  0.00           C  
HETATM   76  C   UNL     1     -12.233   0.697   0.158  1.00  0.00           C  
HETATM   77  C   UNL     1     -14.687   0.600   0.615  1.00  0.00           C  
HETATM   78  C   UNL     1     -15.764   0.028   1.539  1.00  0.00           C  
HETATM   79  C   UNL     1     -17.141   0.504   1.073  1.00  0.00           C  
HETATM   80  C   UNL     1     -18.218  -0.069   1.997  1.00  0.00           C  
HETATM   81  H   UNL     1      -4.907   2.077  -1.186  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.046   0.646  -2.235  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.909  -0.673  -0.321  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.770   0.758   0.728  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.363  -0.770   0.137  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.224   0.661   1.186  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.818  -0.867   0.595  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.679   0.564   1.644  1.00  0.00           H  
HETATM   89  H   UNL     1     -13.272  -0.964   1.052  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.133   0.467   2.101  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.362   1.980  -0.728  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.501   0.549  -1.777  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.816   1.883  -0.271  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.955   0.452  -1.320  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.270   1.786   0.187  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.409   0.355  -0.862  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.724   1.689   0.645  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.863   0.258  -0.405  1.00  0.00           H  
HETATM   99  H   UNL     1     -15.726  -1.061   1.510  1.00  0.00           H  
HETATM  100  H   UNL     1     -15.587   0.370   2.559  1.00  0.00           H  
HETATM  101  H   UNL     1     -17.179   1.592   1.102  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.318   0.161   0.053  1.00  0.00           H  
HETATM  103  H   UNL     1     -19.199   0.270   1.664  1.00  0.00           H  
HETATM  104  H   UNL     1     -18.181  -1.158   1.967  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.042   0.273   3.016  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    2    7   39   40                                       
CONECT    4   10   10                                                 
CONECT    5   10   11                                                 
CONECT    6   13   12                                                 
CONECT    7    3    8   41   42                                       
CONECT    8    9    7   43   44                                       
CONECT    9    8   10   45   46                                       
CONECT   10    9    4    4    5                                       
CONECT   11   17    5   12   47                                       
CONECT   12    6   11   48   49                                       
CONECT   13   14    6   20   20                                       
CONECT   14   15   13   50   51                                       
CONECT   15   16   14   52   53                                       
CONECT   16   15   54   55   69                                       
CONECT   17   21   11   56   57                                       
CONECT   18   22   32   21   58                                       
CONECT   19   22   23   28   59                                       
CONECT   20   13   13                                                 
CONECT   21   18   17                                                 
CONECT   22   18   19                                                 
CONECT   23   19   24   60   61                                       
CONECT   24   25   25   23   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   68                                                 
CONECT   28   19   30   29   62                                       
CONECT   29   28   63                                                 
CONECT   30   32   28   31   64                                       
CONECT   31   30   65                                                 
CONECT   32   18   33   30   66                                       
CONECT   33   32   67                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   27                                                      
CONECT   69   16   70   81   82                                       
CONECT   70   69   74   83   84                                       
CONECT   71   74   75   85   86                                       
CONECT   72   75   76   87   88                                       
CONECT   73   76   77   89   90                                       
CONECT   74   71   70   91   92                                       
CONECT   75   72   71   93   94                                       
CONECT   76   73   72   95   96                                       
CONECT   77   73   78   97   98                                       
CONECT   78   77   79   99  100                                       
CONECT   79   78   80  101  102                                       
CONECT   80   79  103  104  105                                       
CONECT   81   69                                                      
CONECT   82   69                                                      
CONECT   83   70                                                      
CONECT   84   70                                                      
CONECT   85   71                                                      
CONECT   86   71                                                      
CONECT   87   72                                                      
CONECT   88   72                                                      
CONECT   89   73                                                      
CONECT   90   73                                                      
CONECT   91   74                                                      
CONECT   92   74                                                      
CONECT   93   75                                                      
CONECT   94   75                                                      
CONECT   95   76                                                      
CONECT   96   76                                                      
CONECT   97   77                                                      
CONECT   98   77                                                      
CONECT   99   78                                                      
CONECT  100   78                                                      
CONECT  101   79                                                      
CONECT  102   79                                                      
CONECT  103   80                                                      
CONECT  104   80                                                      
CONECT  105   80                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
