COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.338  -4.004  -2.553  1.00  0.00           N  
HETATM    2  C   UNL     1       1.515  -1.307  -1.908  1.00  0.00           C  
HETATM    3  C   UNL     1       0.915  -3.659  -2.615  1.00  0.00           C  
HETATM    4  C   UNL     1       0.741  -2.170  -2.912  1.00  0.00           C  
HETATM    5  C   UNL     1       3.091  -3.242  -1.545  1.00  0.00           C  
HETATM    6  C   UNL     1       2.982  -1.745  -1.824  1.00  0.00           C  
HETATM    7  C   UNL     1       2.847  -4.993  -3.410  1.00  0.00           C  
HETATM    8  O   UNL     1       2.142  -5.595  -4.227  1.00  0.00           O  
HETATM    9  N   UNL     1       1.418   0.109  -2.253  1.00  0.00           N  
HETATM   10  C   UNL     1       2.160   0.934  -1.290  1.00  0.00           C  
HETATM   11  C   UNL     1       2.034   2.408  -1.663  1.00  0.00           C  
HETATM   12  C   UNL     1       0.013   0.538  -2.306  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.062   2.022  -2.657  1.00  0.00           C  
HETATM   14  O   UNL     1       0.660   2.796  -1.699  1.00  0.00           O  
HETATM   15  N   UNL     1       4.206  -5.254  -3.289  1.00  0.00           N  
HETATM   16  C   UNL     1       4.874  -6.242  -4.108  1.00  0.00           C  
HETATM   17  C   UNL     1       5.462  -5.633  -5.386  1.00  0.00           C  
HETATM   18  C   UNL     1       5.709  -6.661  -6.462  1.00  0.00           C  
HETATM   19  C   UNL     1       6.936  -7.304  -6.519  1.00  0.00           C  
HETATM   20  C   UNL     1       4.705  -6.945  -7.374  1.00  0.00           C  
HETATM   21  C   UNL     1       7.165  -8.255  -7.514  1.00  0.00           C  
HETATM   22  C   UNL     1       4.934  -7.896  -8.369  1.00  0.00           C  
HETATM   23  C   UNL     1       6.164  -8.551  -8.439  1.00  0.00           C  
HETATM   24  C   UNL     1       5.979  -6.859  -3.258  1.00  0.00           C  
HETATM   25  O   UNL     1       6.622  -6.219  -2.429  1.00  0.00           O  
HETATM   26  N   UNL     1       6.124  -8.218  -3.501  1.00  0.00           N  
HETATM   27  C   UNL     1       7.067  -9.054  -2.794  1.00  0.00           C  
HETATM   28  C   UNL     1       6.430  -9.608  -1.512  1.00  0.00           C  
HETATM   29  C   UNL     1       6.730 -10.987   0.578  1.00  0.00           C  
HETATM   30  C   UNL     1       7.389 -10.481  -0.696  1.00  0.00           C  
HETATM   31  C   UNL     1       8.766 -10.258  -4.181  1.00  0.00           C  
HETATM   32  C   UNL     1       7.508 -10.136  -3.742  1.00  0.00           C  
HETATM   33  C   UNL     1      10.836 -11.328  -5.575  1.00  0.00           C  
HETATM   34  C   UNL     1      13.538 -10.989  -6.051  1.00  0.00           C  
HETATM   35  C   UNL     1      13.112 -11.797  -4.997  1.00  0.00           C  
HETATM   36  C   UNL     1      11.748 -11.968  -4.757  1.00  0.00           C  
HETATM   37  C   UNL     1      11.238 -10.523  -6.624  1.00  0.00           C  
HETATM   38  C   UNL     1      12.601 -10.352  -6.865  1.00  0.00           C  
HETATM   39  S   UNL     1       9.105 -11.545  -5.269  1.00  0.00           S  
HETATM   40  O   UNL     1       8.409 -11.312  -6.524  1.00  0.00           O  
HETATM   41  O   UNL     1       8.958 -12.822  -4.591  1.00  0.00           O  
HETATM   42  H   UNL     1       1.060  -1.442  -0.918  1.00  0.00           H  
HETATM   43  H   UNL     1       0.469  -3.915  -1.647  1.00  0.00           H  
HETATM   44  H   UNL     1       0.400  -4.248  -3.380  1.00  0.00           H  
HETATM   45  H   UNL     1       1.100  -1.966  -3.930  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.326  -1.916  -2.890  1.00  0.00           H  
HETATM   47  H   UNL     1       4.139  -3.535  -1.483  1.00  0.00           H  
HETATM   48  H   UNL     1       2.647  -3.477  -0.570  1.00  0.00           H  
HETATM   49  H   UNL     1       3.500  -1.188  -1.035  1.00  0.00           H  
HETATM   50  H   UNL     1       3.494  -1.518  -2.769  1.00  0.00           H  
HETATM   51  H   UNL     1       3.220   0.653  -1.291  1.00  0.00           H  
HETATM   52  H   UNL     1       1.768   0.776  -0.277  1.00  0.00           H  
HETATM   53  H   UNL     1       2.535   3.027  -0.912  1.00  0.00           H  
HETATM   54  H   UNL     1       2.499   2.620  -2.634  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.470   0.366  -1.336  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.530  -0.038  -3.064  1.00  0.00           H  
HETATM   57  H   UNL     1       0.332   2.221  -3.661  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.104   2.357  -2.638  1.00  0.00           H  
HETATM   59  H   UNL     1       4.797  -4.704  -2.682  1.00  0.00           H  
HETATM   60  H   UNL     1       4.128  -7.011  -4.340  1.00  0.00           H  
HETATM   61  H   UNL     1       6.397  -5.103  -5.159  1.00  0.00           H  
HETATM   62  H   UNL     1       4.788  -4.867  -5.791  1.00  0.00           H  
HETATM   63  H   UNL     1       7.722  -7.080  -5.802  1.00  0.00           H  
HETATM   64  H   UNL     1       3.744  -6.440  -7.328  1.00  0.00           H  
HETATM   65  H   UNL     1       8.122  -8.765  -7.568  1.00  0.00           H  
HETATM   66  H   UNL     1       4.154  -8.127  -9.089  1.00  0.00           H  
HETATM   67  H   UNL     1       6.342  -9.291  -9.213  1.00  0.00           H  
HETATM   68  H   UNL     1       5.538  -8.646  -4.212  1.00  0.00           H  
HETATM   69  H   UNL     1       7.908  -8.402  -2.526  1.00  0.00           H  
HETATM   70  H   UNL     1       5.548 -10.204  -1.782  1.00  0.00           H  
HETATM   71  H   UNL     1       6.060  -8.784  -0.887  1.00  0.00           H  
HETATM   72  H   UNL     1       5.848 -11.594   0.350  1.00  0.00           H  
HETATM   73  H   UNL     1       6.419 -10.154   1.216  1.00  0.00           H  
HETATM   74  H   UNL     1       7.431 -11.607   1.146  1.00  0.00           H  
HETATM   75  H   UNL     1       8.286  -9.913  -0.427  1.00  0.00           H  
HETATM   76  H   UNL     1       7.713 -11.338  -1.297  1.00  0.00           H  
HETATM   77  H   UNL     1       9.560  -9.586  -3.880  1.00  0.00           H  
HETATM   78  H   UNL     1       6.745 -10.836  -4.077  1.00  0.00           H  
HETATM   79  H   UNL     1      14.600 -10.857  -6.238  1.00  0.00           H  
HETATM   80  H   UNL     1      13.841 -12.293  -4.363  1.00  0.00           H  
HETATM   81  H   UNL     1      11.427 -12.601  -3.934  1.00  0.00           H  
HETATM   82  H   UNL     1      10.516 -10.021  -7.263  1.00  0.00           H  
HETATM   83  H   UNL     1      12.933  -9.724  -7.686  1.00  0.00           H  
CONECT    1    3    5    7                                            
CONECT    2    4    6    9   42                                       
CONECT    3    1    4   43   44                                       
CONECT    4    2    3   45   46                                       
CONECT    5    1    6   47   48                                       
CONECT    6    2    5   49   50                                       
CONECT    7    1    8    8   15                                       
CONECT    8    7    7                                                 
CONECT    9    2   10   12                                            
CONECT   10    9   11   51   52                                       
CONECT   11   10   14   53   54                                       
CONECT   12    9   13   55   56                                       
CONECT   13   12   14   57   58                                       
CONECT   14   11   13                                                 
CONECT   15    7   16   59                                            
CONECT   16   15   17   24   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   21   63                                       
CONECT   20   18   22   22   64                                       
CONECT   21   19   23   23   65                                       
CONECT   22   20   20   23   66                                       
CONECT   23   21   21   22   67                                       
CONECT   24   16   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   68                                            
CONECT   27   26   28   32   69                                       
CONECT   28   27   30   70   71                                       
CONECT   29   30   72   73   74                                       
CONECT   30   28   29   75   76                                       
CONECT   31   32   32   39   77                                       
CONECT   32   27   31   31   78                                       
CONECT   33   36   36   37   39                                       
CONECT   34   35   35   38   79                                       
CONECT   35   34   34   36   80                                       
CONECT   36   33   33   35   81                                       
CONECT   37   33   38   38   82                                       
CONECT   38   34   37   37   83                                       
CONECT   39   31   33   40   40                                       
CONECT   39   41   41                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
