COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.342  -2.161  -2.638  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.769  -2.033  -4.051  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.986  -3.301  -4.400  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.843  -3.486  -3.400  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.416  -3.614  -1.987  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.199  -2.346  -1.638  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.773  -2.474  -0.226  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.422  -1.150   0.183  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.058  -1.300   1.567  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.196  -2.319   1.497  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.316  -1.774   0.608  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.733  -2.569   2.883  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.253  -1.990   3.830  1.00  0.00           O  
HETATM   14  O   UNL     1      -8.743  -3.434   3.067  1.00  0.00           O  
HETATM   15  N   UNL     1      -4.403  -0.099   0.225  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.746   1.183  -0.012  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.915   1.480  -0.170  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.707   2.223  -0.079  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.406   1.968   0.085  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.979   3.526  -0.319  1.00  0.00           C  
HETATM   21  S   UNL     1      -2.513   4.405  -0.318  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.621   2.983  -0.003  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.123   2.926   0.151  1.00  0.00           C  
HETATM   24  O   UNL     1       0.318   4.016   1.002  1.00  0.00           O  
HETATM   25  C   UNL     1       0.536   3.054  -1.224  1.00  0.00           C  
HETATM   26  C   UNL     1       2.045   2.839  -1.088  1.00  0.00           C  
HETATM   27  C   UNL     1       2.723   3.117  -2.431  1.00  0.00           C  
HETATM   28  C   UNL     1       2.078   2.251  -3.516  1.00  0.00           C  
HETATM   29  C   UNL     1       2.555   4.594  -2.792  1.00  0.00           C  
HETATM   30  N   UNL     1       2.307   1.455  -0.686  1.00  0.00           N  
HETATM   31  C   UNL     1       3.501   1.121  -0.158  1.00  0.00           C  
HETATM   32  O   UNL     1       4.326   1.981   0.069  1.00  0.00           O  
HETATM   33  C   UNL     1       3.812  -0.321   0.150  1.00  0.00           C  
HETATM   34  C   UNL     1       3.156  -0.712   1.475  1.00  0.00           C  
HETATM   35  C   UNL     1       3.671   0.202   2.589  1.00  0.00           C  
HETATM   36  C   UNL     1       1.638  -0.565   1.356  1.00  0.00           C  
HETATM   37  C   UNL     1       1.101  -1.602   0.367  1.00  0.00           C  
HETATM   38  N   UNL     1       5.263  -0.496   0.253  1.00  0.00           N  
HETATM   39  C   UNL     1       5.808  -1.718   0.089  1.00  0.00           C  
HETATM   40  O   UNL     1       5.109  -2.655  -0.234  1.00  0.00           O  
HETATM   41  C   UNL     1       7.285  -1.920   0.306  1.00  0.00           C  
HETATM   42  C   UNL     1       7.569  -2.035   1.806  1.00  0.00           C  
HETATM   43  C   UNL     1       9.068  -2.260   2.020  1.00  0.00           C  
HETATM   44  C   UNL     1       9.501  -3.520   1.266  1.00  0.00           C  
HETATM   45  C   UNL     1       9.161  -3.362  -0.218  1.00  0.00           C  
HETATM   46  N   UNL     1       7.716  -3.150  -0.371  1.00  0.00           N  
HETATM   47  C   UNL     1       7.333  -3.132  -1.789  1.00  0.00           C  
HETATM   48  H   UNL     1      -5.900  -1.258  -2.389  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.008  -3.023  -2.593  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.583  -1.901  -4.763  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.103  -1.171  -4.096  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.651  -4.163  -4.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.577  -3.210  -5.406  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.285  -4.389  -3.649  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.177  -2.624  -3.445  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.082  -4.476  -1.942  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.602  -3.746  -1.275  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.534  -1.484  -1.683  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.521  -3.266  -0.208  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.971  -2.716   0.472  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.190  -0.883  -0.543  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.306  -1.643   2.277  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.452  -0.337   1.891  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.822  -3.254   1.079  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.624  -0.794   0.972  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.955  -1.685  -0.417  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.166  -2.456   0.635  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.053  -3.560   3.974  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.481  -0.325   0.423  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.962   3.943  -0.481  1.00  0.00           H  
HETATM   71  H   UNL     1       0.160   1.975   0.603  1.00  0.00           H  
HETATM   72  H   UNL     1       0.121   2.303  -1.897  1.00  0.00           H  
HETATM   73  H   UNL     1       0.345   4.048  -1.627  1.00  0.00           H  
HETATM   74  H   UNL     1       2.442   3.518  -0.334  1.00  0.00           H  
HETATM   75  H   UNL     1       3.784   2.879  -2.359  1.00  0.00           H  
HETATM   76  H   UNL     1       1.017   2.489  -3.589  1.00  0.00           H  
HETATM   77  H   UNL     1       2.561   2.449  -4.473  1.00  0.00           H  
HETATM   78  H   UNL     1       2.198   1.199  -3.260  1.00  0.00           H  
HETATM   79  H   UNL     1       1.494   4.832  -2.864  1.00  0.00           H  
HETATM   80  H   UNL     1       3.014   5.211  -2.019  1.00  0.00           H  
HETATM   81  H   UNL     1       3.037   4.792  -3.749  1.00  0.00           H  
HETATM   82  H   UNL     1       1.621   0.779  -0.799  1.00  0.00           H  
HETATM   83  H   UNL     1       3.426  -0.955  -0.648  1.00  0.00           H  
HETATM   84  H   UNL     1       3.403  -1.747   1.712  1.00  0.00           H  
HETATM   85  H   UNL     1       3.352   1.226   2.396  1.00  0.00           H  
HETATM   86  H   UNL     1       3.269  -0.130   3.546  1.00  0.00           H  
HETATM   87  H   UNL     1       4.760   0.160   2.619  1.00  0.00           H  
HETATM   88  H   UNL     1       1.180  -0.723   2.332  1.00  0.00           H  
HETATM   89  H   UNL     1       1.397   0.436   0.999  1.00  0.00           H  
HETATM   90  H   UNL     1       0.012  -1.559   0.351  1.00  0.00           H  
HETATM   91  H   UNL     1       1.489  -1.389  -0.629  1.00  0.00           H  
HETATM   92  H   UNL     1       1.421  -2.598   0.676  1.00  0.00           H  
HETATM   93  H   UNL     1       5.832   0.267   0.439  1.00  0.00           H  
HETATM   94  H   UNL     1       7.832  -1.070  -0.102  1.00  0.00           H  
HETATM   95  H   UNL     1       7.264  -1.116   2.306  1.00  0.00           H  
HETATM   96  H   UNL     1       7.012  -2.877   2.218  1.00  0.00           H  
HETATM   97  H   UNL     1       9.623  -1.401   1.643  1.00  0.00           H  
HETATM   98  H   UNL     1       9.269  -2.386   3.085  1.00  0.00           H  
HETATM   99  H   UNL     1      10.575  -3.662   1.380  1.00  0.00           H  
HETATM  100  H   UNL     1       8.974  -4.385   1.669  1.00  0.00           H  
HETATM  101  H   UNL     1       9.699  -2.505  -0.624  1.00  0.00           H  
HETATM  102  H   UNL     1       9.454  -4.263  -0.756  1.00  0.00           H  
HETATM  103  H   UNL     1       7.802  -2.280  -2.281  1.00  0.00           H  
HETATM  104  H   UNL     1       7.664  -4.054  -2.266  1.00  0.00           H  
HETATM  105  H   UNL     1       6.250  -3.048  -1.872  1.00  0.00           H  
HETATM  106  C   UNL     1       1.334   3.761   1.842  1.00  0.00           C  
HETATM  107  C   UNL     1       1.838   4.841   2.765  1.00  0.00           C  
HETATM  108  O   UNL     1       1.845   2.667   1.857  1.00  0.00           O  
HETATM  109  H   UNL     1       1.259   5.752   2.609  1.00  0.00           H  
HETATM  110  H   UNL     1       1.729   4.514   3.799  1.00  0.00           H  
HETATM  111  H   UNL     1       2.889   5.038   2.554  1.00  0.00           H  
CONECT    1    2    6   48   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    6    4   56   57                                       
CONECT    6    1    7    5   58                                       
CONECT    7    8    6   59   60                                       
CONECT    8    9    7   15   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   12   64                                       
CONECT   11   10   65   66   67                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   68                                                 
CONECT   15    8   16   69                                            
CONECT   16   15   18   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   20   20   16   19                                       
CONECT   19   18   22   22                                            
CONECT   20   21   18   18   70                                       
CONECT   21   20   22                                                 
CONECT   22   21   19   19   23                                       
CONECT   23   22   24   25   71                                       
CONECT   24   23  106                                                 
CONECT   25   23   26   72   73                                       
CONECT   26   30   25   27   74                                       
CONECT   27   26   28   29   75                                       
CONECT   28   27   76   77   78                                       
CONECT   29   27   79   80   81                                       
CONECT   30   31   26   82                                            
CONECT   31   33   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   34   38   31   83                                       
CONECT   34   36   35   33   84                                       
CONECT   35   34   85   86   87                                       
CONECT   36   37   34   88   89                                       
CONECT   37   36   90   91   92                                       
CONECT   38   33   39   93                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   42   39   46   94                                       
CONECT   42   43   41   95   96                                       
CONECT   43   42   44   97   98                                       
CONECT   44   43   45   99  100                                       
CONECT   45   44   46  101  102                                       
CONECT   46   41   45   47                                            
CONECT   47   46  103  104  105                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   20                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   47                                                      
CONECT  106   24  107  108  108                                       
CONECT  107  106  109  110  111                                       
CONECT  108  106  106                                                 
CONECT  109  107                                                      
CONECT  110  107                                                      
CONECT  111  107                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
