COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.666  -0.849  -0.083  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.987  -0.606  -0.760  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.083  -1.369   0.931  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.617  -0.141  -1.013  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.539   1.345  -0.776  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.396   4.071  -0.340  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.720   3.505  -1.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.147   3.275   0.504  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.792   2.142  -1.623  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.218   1.912   0.286  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.351  -0.901  -0.374  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.426  -1.584   0.533  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.406  -3.079   0.211  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.796  -3.294  -1.176  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.567  -3.816   1.257  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.836  -3.624   0.228  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.041  -1.014   0.361  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.807  -0.256  -0.556  1.00  0.00           O  
HETATM   19  C   UNL     1       2.701  -1.371   1.364  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.063  -1.348   1.226  1.00  0.00           N  
HETATM   21  O   UNL     1       3.355  -0.772   2.192  1.00  0.00           O  
HETATM   22  C   UNL     1       1.295  -1.807   1.685  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.450   1.503   0.881  1.00  0.00           C  
HETATM   24  C   UNL     1       0.440   0.540   1.624  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.084   3.269  -0.481  1.00  0.00           C  
HETATM   26  C   UNL     1       0.301  -0.857   1.015  1.00  0.00           C  
HETATM   27  O   UNL     1       1.099  -1.780   3.101  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.753   1.703   1.299  1.00  0.00           C  
HETATM   29  C   UNL     1       0.037   2.190  -0.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.569   2.585   0.618  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.779   3.074  -0.895  1.00  0.00           C  
HETATM   32  C   UNL     1       4.832   0.147   0.004  1.00  0.00           C  
HETATM   33  N   UNL     1       3.233  -1.647   0.157  1.00  0.00           N  
HETATM   34  O   UNL     1       3.882   0.900   0.041  1.00  0.00           O  
HETATM   35  C   UNL     1       4.614  -1.334  -0.177  1.00  0.00           C  
HETATM   36  C   UNL     1       4.991  -1.718  -1.626  1.00  0.00           C  
HETATM   37  C   UNL     1       2.459  -2.295  -0.920  1.00  0.00           C  
HETATM   38  C   UNL     1       5.904  -0.663  -2.255  1.00  0.00           C  
HETATM   39  C   UNL     1       5.640  -3.102  -1.677  1.00  0.00           C  
HETATM   40  S   UNL     1       3.338  -1.732  -2.439  1.00  0.00           S  
HETATM   41  N   UNL     1       6.083   0.634   0.124  1.00  0.00           N  
HETATM   42  C   UNL     1       6.295   2.072   0.300  1.00  0.00           C  
HETATM   43  C   UNL     1       7.630   2.308   1.011  1.00  0.00           C  
HETATM   44  C   UNL     1       8.776   1.837   0.113  1.00  0.00           C  
HETATM   45  C   UNL     1       7.794   3.800   1.306  1.00  0.00           C  
HETATM   46  C   UNL     1       6.318   2.756  -1.068  1.00  0.00           C  
HETATM   47  H   UNL     1      -8.263  -0.416   0.192  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.635  -0.194  -1.414  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.344  -0.359  -2.046  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.336   5.136  -0.168  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.133   4.127  -2.065  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.674   3.717   1.336  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.264   1.699  -2.455  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.806   1.290   0.945  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.017  -0.485  -1.185  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.753  -1.439   1.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.777  -2.906  -1.188  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.781  -4.359  -1.406  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.393  -2.769  -1.921  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.012  -3.678   2.242  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.537  -4.878   1.016  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.553  -3.415   1.257  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.433  -3.099  -0.517  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.821  -4.689  -0.002  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.271  -3.471   1.216  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.262  -1.914   1.989  1.00  0.00           H  
HETATM   67  H   UNL     1       1.135  -2.820   1.316  1.00  0.00           H  
HETATM   68  H   UNL     1       1.476   0.869   1.546  1.00  0.00           H  
HETATM   69  H   UNL     1       0.147   0.509   2.673  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.722   3.958  -1.014  1.00  0.00           H  
HETATM   71  H   UNL     1       0.508  -0.809  -0.054  1.00  0.00           H  
HETATM   72  H   UNL     1       1.226  -0.907   3.499  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.132   1.169   2.158  1.00  0.00           H  
HETATM   74  H   UNL     1       1.056   2.037  -0.538  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.589   2.738   0.941  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.400   3.608  -1.754  1.00  0.00           H  
HETATM   77  H   UNL     1       5.271  -1.870   0.507  1.00  0.00           H  
HETATM   78  H   UNL     1       2.501  -3.380  -0.826  1.00  0.00           H  
HETATM   79  H   UNL     1       1.426  -1.948  -0.916  1.00  0.00           H  
HETATM   80  H   UNL     1       6.819  -0.578  -1.667  1.00  0.00           H  
HETATM   81  H   UNL     1       6.154  -0.959  -3.274  1.00  0.00           H  
HETATM   82  H   UNL     1       5.391   0.299  -2.271  1.00  0.00           H  
HETATM   83  H   UNL     1       4.942  -3.845  -1.289  1.00  0.00           H  
HETATM   84  H   UNL     1       5.895  -3.347  -2.708  1.00  0.00           H  
HETATM   85  H   UNL     1       6.545  -3.102  -1.069  1.00  0.00           H  
HETATM   86  H   UNL     1       6.843   0.032   0.094  1.00  0.00           H  
HETATM   87  H   UNL     1       5.486   2.488   0.900  1.00  0.00           H  
HETATM   88  H   UNL     1       7.647   1.748   1.946  1.00  0.00           H  
HETATM   89  H   UNL     1       8.758   2.397  -0.822  1.00  0.00           H  
HETATM   90  H   UNL     1       9.726   2.005   0.619  1.00  0.00           H  
HETATM   91  H   UNL     1       8.659   0.774  -0.098  1.00  0.00           H  
HETATM   92  H   UNL     1       6.977   4.136   1.946  1.00  0.00           H  
HETATM   93  H   UNL     1       8.744   3.968   1.812  1.00  0.00           H  
HETATM   94  H   UNL     1       7.776   4.360   0.371  1.00  0.00           H  
HETATM   95  H   UNL     1       5.368   2.588  -1.574  1.00  0.00           H  
HETATM   96  H   UNL     1       6.476   3.826  -0.937  1.00  0.00           H  
HETATM   97  H   UNL     1       7.128   2.340  -1.668  1.00  0.00           H  
CONECT    1    3    3    4   11                                       
CONECT    2   47   48    4                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   49                                       
CONECT    5    4    9   10   10                                       
CONECT    6    7   50    8    8                                       
CONECT    7    6   51    9    9                                       
CONECT    8    6    6   52   10                                       
CONECT    9    5    7    7   53                                       
CONECT   10    5    5    8   54                                       
CONECT   11   12   55    1                                            
CONECT   12   11   13   17   56                                       
CONECT   13   12   14   15   16                                       
CONECT   14   13   57   58   59                                       
CONECT   15   13   60   61   62                                       
CONECT   16   13   63   64   65                                       
CONECT   17   12   18   18   20                                       
CONECT   18   17   17                                                 
CONECT   19   22   21   21   33                                       
CONECT   20   26   66   17                                            
CONECT   21   19   19                                                 
CONECT   22   19   27   67   26                                       
CONECT   23   24   28   28   29                                       
CONECT   24   23   68   69   26                                       
CONECT   25   30   30   31   70                                       
CONECT   26   20   22   24   71                                       
CONECT   27   22   72                                                 
CONECT   28   23   23   73   30                                       
CONECT   29   23   74   31   31                                       
CONECT   30   25   25   28   75                                       
CONECT   31   25   29   29   76                                       
CONECT   32   35   34   34   41                                       
CONECT   33   35   37   19                                            
CONECT   34   32   32                                                 
CONECT   35   32   33   77   36                                       
CONECT   36   35   39   38   40                                       
CONECT   37   33   78   79   40                                       
CONECT   38   36   80   81   82                                       
CONECT   39   36   83   84   85                                       
CONECT   40   36   37                                                 
CONECT   41   42   86   32                                            
CONECT   42   41   43   46   87                                       
CONECT   43   42   44   45   88                                       
CONECT   44   43   89   90   91                                       
CONECT   45   43   92   93   94                                       
CONECT   46   42   95   96   97                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   35                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
