COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.289   2.700   0.554  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.221   1.991  -0.674  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.737   0.362   0.269  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.095  -1.342   0.522  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.419  -3.014   0.771  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.066  -4.090   1.575  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.741  -4.459   1.692  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.762  -3.756   1.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.438  -2.311   0.084  1.00  0.00           C  
HETATM   10  O   UNL     1      -8.223  -0.499   0.430  1.00  0.00           O  
HETATM   11  N   UNL     1     -10.392  -0.975   0.497  1.00  0.00           N  
HETATM   12  C   UNL     1     -11.883   0.671  -0.451  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.425   3.005  -0.173  1.00  0.00           C  
HETATM   14  S   UNL     1     -11.861   4.688  -0.459  1.00  0.00           S  
HETATM   15  N   UNL     1     -11.131   5.149  -1.872  1.00  0.00           N  
HETATM   16  O   UNL     1     -13.260   4.704  -0.706  1.00  0.00           O  
HETATM   17  O   UNL     1     -11.245   5.443   0.575  1.00  0.00           O  
HETATM   18  C   UNL     1      -9.942   1.382   0.776  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.764  -2.642   0.648  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.113  -2.682   0.202  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.457  -4.120   1.121  1.00  0.00           O  
HETATM   22  H   UNL     1      -9.669   3.494   0.944  1.00  0.00           H  
HETATM   23  H   UNL     1     -13.108   2.233  -1.242  1.00  0.00           H  
HETATM   24  H   UNL     1      -7.829  -4.636   2.110  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.467  -5.296   2.318  1.00  0.00           H  
HETATM   26  H   UNL     1      -6.711  -1.474  -0.542  1.00  0.00           H  
HETATM   27  H   UNL     1     -11.085  -1.638   0.638  1.00  0.00           H  
HETATM   28  H   UNL     1     -12.503  -0.120  -0.846  1.00  0.00           H  
HETATM   29  H   UNL     1     -11.543   5.825  -2.433  1.00  0.00           H  
HETATM   30  H   UNL     1     -10.291   4.744  -2.139  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.054   1.144   1.343  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.457  -3.320   0.653  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.350  -2.135  -0.333  1.00  0.00           H  
HETATM   34  C   UNL     1      -2.501  -3.352   0.387  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.098  -3.907   0.640  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.075  -3.085  -0.146  1.00  0.00           C  
HETATM   37  C   UNL     1       1.328  -3.639   0.107  1.00  0.00           C  
HETATM   38  N   UNL     1       2.308  -2.852  -0.646  1.00  0.00           N  
HETATM   39  C   UNL     1       3.618  -3.160  -0.575  1.00  0.00           C  
HETATM   40  O   UNL     1       3.986  -4.089   0.112  1.00  0.00           O  
HETATM   41  H   UNL     1      -2.728  -3.412  -0.678  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.545  -2.312   0.710  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.871  -3.848   1.705  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.054  -4.947   0.317  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.302  -3.144  -1.211  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.119  -2.045   0.177  1.00  0.00           H  
HETATM   47  H   UNL     1       1.556  -3.580   1.172  1.00  0.00           H  
HETATM   48  H   UNL     1       1.372  -4.679  -0.216  1.00  0.00           H  
HETATM   49  H   UNL     1       2.013  -2.109  -1.195  1.00  0.00           H  
HETATM   50  C   UNL     1       4.626  -2.350  -1.349  1.00  0.00           C  
HETATM   51  C   UNL     1       6.029  -2.904  -1.096  1.00  0.00           C  
HETATM   52  O   UNL     1       6.984  -2.136  -1.831  1.00  0.00           O  
HETATM   53  C   UNL     1       8.334  -2.574  -1.663  1.00  0.00           C  
HETATM   54  C   UNL     1       9.265  -1.685  -2.490  1.00  0.00           C  
HETATM   55  O   UNL     1       9.233  -0.352  -1.975  1.00  0.00           O  
HETATM   56  C   UNL     1      10.072   0.564  -2.681  1.00  0.00           C  
HETATM   57  C   UNL     1       9.959   1.952  -2.046  1.00  0.00           C  
HETATM   58  O   UNL     1      10.478   1.911  -0.715  1.00  0.00           O  
HETATM   59  C   UNL     1      10.418   3.164  -0.030  1.00  0.00           C  
HETATM   60  C   UNL     1      10.997   3.003   1.377  1.00  0.00           C  
HETATM   61  O   UNL     1      12.388   2.687   1.287  1.00  0.00           O  
HETATM   62  C   UNL     1      13.028   2.515   2.552  1.00  0.00           C  
HETATM   63  C   UNL     1      14.506   2.182   2.335  1.00  0.00           C  
HETATM   64  O   UNL     1      15.161   3.297   1.728  1.00  0.00           O  
HETATM   65  C   UNL     1      16.553   3.089   1.481  1.00  0.00           C  
HETATM   66  N   UNL     1      16.720   2.297   0.255  1.00  0.00           N  
HETATM   67  H   UNL     1       4.398  -2.409  -2.414  1.00  0.00           H  
HETATM   68  H   UNL     1       4.582  -1.310  -1.026  1.00  0.00           H  
HETATM   69  H   UNL     1       6.256  -2.845  -0.032  1.00  0.00           H  
HETATM   70  H   UNL     1       6.073  -3.944  -1.420  1.00  0.00           H  
HETATM   71  H   UNL     1       8.609  -2.508  -0.610  1.00  0.00           H  
HETATM   72  H   UNL     1       8.426  -3.607  -1.998  1.00  0.00           H  
HETATM   73  H   UNL     1      10.282  -2.072  -2.433  1.00  0.00           H  
HETATM   74  H   UNL     1       8.935  -1.681  -3.529  1.00  0.00           H  
HETATM   75  H   UNL     1      11.106   0.224  -2.628  1.00  0.00           H  
HETATM   76  H   UNL     1       9.759   0.614  -3.723  1.00  0.00           H  
HETATM   77  H   UNL     1      10.529   2.669  -2.637  1.00  0.00           H  
HETATM   78  H   UNL     1       8.912   2.254  -2.019  1.00  0.00           H  
HETATM   79  H   UNL     1      10.998   3.906  -0.579  1.00  0.00           H  
HETATM   80  H   UNL     1       9.381   3.491   0.039  1.00  0.00           H  
HETATM   81  H   UNL     1      10.871   3.934   1.930  1.00  0.00           H  
HETATM   82  H   UNL     1      10.475   2.199   1.895  1.00  0.00           H  
HETATM   83  H   UNL     1      12.945   3.436   3.130  1.00  0.00           H  
HETATM   84  H   UNL     1      12.548   1.701   3.095  1.00  0.00           H  
HETATM   85  H   UNL     1      14.974   1.964   3.295  1.00  0.00           H  
HETATM   86  H   UNL     1      14.590   1.312   1.684  1.00  0.00           H  
HETATM   87  H   UNL     1      17.049   4.052   1.362  1.00  0.00           H  
HETATM   88  H   UNL     1      16.996   2.554   2.322  1.00  0.00           H  
HETATM   89  H   UNL     1      16.262   2.741  -0.527  1.00  0.00           H  
HETATM   90  H   UNL     1      17.696   2.136   0.058  1.00  0.00           H  
CONECT    1   18   18   13   22                                       
CONECT    2   12   13   13   23                                       
CONECT    3   11   12   12   18                                       
CONECT    4   19   11   10   10                                       
CONECT    5    9   19    6    6                                       
CONECT    6    5    5    7   24                                       
CONECT    7    8    8    6   25                                       
CONECT    8   20   21    7    7                                       
CONECT    9   20   20    5   26                                       
CONECT   10    4    4                                                 
CONECT   11    4    3   27                                            
CONECT   12    3    3    2   28                                       
CONECT   13    2    2    1   14                                       
CONECT   14   13   15   16   16                                       
CONECT   14   17   17                                                 
CONECT   15   14   29   30                                            
CONECT   16   14   14                                                 
CONECT   17   14   14                                                 
CONECT   18    3    1    1   31                                       
CONECT   19    5    4   32                                            
CONECT   20    9    9    8   33                                       
CONECT   21    8   34                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   18                                                      
CONECT   32   19                                                      
CONECT   33   20                                                      
CONECT   34   21   35   41   42                                       
CONECT   35   34   36   43   44                                       
CONECT   36   35   37   45   46                                       
CONECT   37   36   38   47   48                                       
CONECT   38   37   39   49                                            
CONECT   39   38   40   40   50                                       
CONECT   40   39   39                                                 
CONECT   41   34                                                      
CONECT   42   34                                                      
CONECT   43   35                                                      
CONECT   44   35                                                      
CONECT   45   36                                                      
CONECT   46   36                                                      
CONECT   47   37                                                      
CONECT   48   37                                                      
CONECT   49   38                                                      
CONECT   50   39   51   67   68                                       
CONECT   51   50   52   69   70                                       
CONECT   52   51   53                                                 
CONECT   53   52   54   71   72                                       
CONECT   54   53   55   73   74                                       
CONECT   55   54   56                                                 
CONECT   56   55   57   75   76                                       
CONECT   57   56   58   77   78                                       
CONECT   58   57   59                                                 
CONECT   59   58   60   79   80                                       
CONECT   60   59   61   81   82                                       
CONECT   61   60   62                                                 
CONECT   62   61   63   83   84                                       
CONECT   63   62   64   85   86                                       
CONECT   64   63   65                                                 
CONECT   65   64   66   87   88                                       
CONECT   66   65   89   90                                            
CONECT   67   50                                                      
CONECT   68   50                                                      
CONECT   69   51                                                      
CONECT   70   51                                                      
CONECT   71   53                                                      
CONECT   72   53                                                      
CONECT   73   54                                                      
CONECT   74   54                                                      
CONECT   75   56                                                      
CONECT   76   56                                                      
CONECT   77   57                                                      
CONECT   78   57                                                      
CONECT   79   59                                                      
CONECT   80   59                                                      
CONECT   81   60                                                      
CONECT   82   60                                                      
CONECT   83   62                                                      
CONECT   84   62                                                      
CONECT   85   63                                                      
CONECT   86   63                                                      
CONECT   87   65                                                      
CONECT   88   65                                                      
CONECT   89   66                                                      
CONECT   90   66                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
