COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.235   0.692  -0.733  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.179   0.599  -1.050  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.340   0.756  -2.563  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.639   1.506  -2.863  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.544   2.930  -2.313  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.861   1.557  -4.376  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.299  -0.252  -0.511  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.565  -0.505   0.350  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.567   0.425   1.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.894   1.109   2.229  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.804   2.045   1.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.619   3.394   2.287  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.897   2.032   2.960  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.284  -1.330  -0.719  1.00  0.00           C  
HETATM   15  C   UNL     1       4.575   0.976  -0.357  1.00  0.00           C  
HETATM   16  C   UNL     1       5.792   0.163   0.088  1.00  0.00           C  
HETATM   17  C   UNL     1       6.009  -1.001  -0.881  1.00  0.00           C  
HETATM   18  C   UNL     1       7.225  -1.815  -0.436  1.00  0.00           C  
HETATM   19  C   UNL     1       6.986  -2.362   0.973  1.00  0.00           C  
HETATM   20  C   UNL     1       6.769  -1.198   1.942  1.00  0.00           C  
HETATM   21  C   UNL     1       5.552  -0.384   1.497  1.00  0.00           C  
HETATM   22  C   UNL     1       8.008  -0.301   1.947  1.00  0.00           C  
HETATM   23  C   UNL     1       8.248   0.246   0.539  1.00  0.00           C  
HETATM   24  C   UNL     1       7.031   1.060   0.094  1.00  0.00           C  
HETATM   25  C   UNL     1       8.465  -0.918  -0.430  1.00  0.00           C  
HETATM   26  N   UNL     1       1.106  -0.042  -0.759  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.509   0.294  -0.278  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.235   3.317   1.804  1.00  0.00           N  
HETATM   29  O   UNL     1       2.203   1.868  -1.038  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.702   1.698   1.389  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.984  -0.454  -1.606  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.112  -1.430  -0.287  1.00  0.00           O  
HETATM   33  O   UNL     1       3.399   0.125  -0.362  1.00  0.00           O  
HETATM   34  H   UNL     1      -0.210   1.581  -0.577  1.00  0.00           H  
HETATM   35  H   UNL     1       0.505   1.318  -2.962  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.373  -0.229  -3.029  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.474   0.989  -2.391  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.496   3.441  -2.461  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.314   2.894  -1.248  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.756   3.471  -2.837  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.928   0.543  -4.768  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.787   2.092  -4.590  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.026   2.074  -4.848  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.124  -1.173   1.089  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.906   1.181   0.329  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.421  -0.155   1.385  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.488   0.365   2.915  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.302   3.548   1.451  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.721   4.201   3.012  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.923   1.711   2.783  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.682   2.073   4.028  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.554  -1.910  -1.282  1.00  0.00           H  
HETATM   53  S   UNL     1      -5.465  -2.453   0.078  1.00  0.00           S  
HETATM   54  H   UNL     1       4.420   1.806   0.334  1.00  0.00           H  
HETATM   55  H   UNL     1       4.746   1.366  -1.360  1.00  0.00           H  
HETATM   56  H   UNL     1       5.126  -1.640  -0.885  1.00  0.00           H  
HETATM   57  H   UNL     1       6.180  -0.612  -1.884  1.00  0.00           H  
HETATM   58  H   UNL     1       7.380  -2.645  -1.126  1.00  0.00           H  
HETATM   59  H   UNL     1       6.103  -3.001   0.969  1.00  0.00           H  
HETATM   60  H   UNL     1       7.852  -2.942   1.290  1.00  0.00           H  
HETATM   61  H   UNL     1       6.598  -1.588   2.945  1.00  0.00           H  
HETATM   62  H   UNL     1       5.397   0.445   2.187  1.00  0.00           H  
HETATM   63  H   UNL     1       4.669  -1.023   1.493  1.00  0.00           H  
HETATM   64  H   UNL     1       7.853   0.528   2.638  1.00  0.00           H  
HETATM   65  H   UNL     1       8.875  -0.881   2.264  1.00  0.00           H  
HETATM   66  H   UNL     1       9.131   0.885   0.543  1.00  0.00           H  
HETATM   67  H   UNL     1       7.202   1.449  -0.910  1.00  0.00           H  
HETATM   68  H   UNL     1       6.876   1.889   0.784  1.00  0.00           H  
HETATM   69  H   UNL     1       9.332  -1.498  -0.113  1.00  0.00           H  
HETATM   70  H   UNL     1       8.636  -0.529  -1.434  1.00  0.00           H  
HETATM   71  H   UNL     1       1.143  -0.996  -0.585  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.681   1.216  -0.526  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.700   4.086   1.553  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.413   0.176  -2.068  1.00  0.00           H  
HETATM   75  O   UNL     1      -5.904  -3.446  -0.839  1.00  0.00           O  
HETATM   76  O   UNL     1      -4.632  -3.221   1.094  1.00  0.00           O  
HETATM   77  O   UNL     1      -6.394  -1.722   0.867  1.00  0.00           O  
HETATM   78  H   UNL     1      -5.136  -3.870   1.605  1.00  0.00           H  
CONECT    1   33   26   29   29                                       
CONECT    2   26    7    3   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    6    5   37                                       
CONECT    5    4   38   39   40                                       
CONECT    6    4   41   42   43                                       
CONECT    7   32   32    2   27                                       
CONECT    8   27    9   14   44                                       
CONECT    9   10    8   45   46                                       
CONECT   10   13   11    9   47                                       
CONECT   11   28   10   30   30                                       
CONECT   12   13   28   48   49                                       
CONECT   13   12   10   50   51                                       
CONECT   14    8   31   52   53                                       
CONECT   15   16   33   54   55                                       
CONECT   16   17   21   24   15                                       
CONECT   17   18   16   56   57                                       
CONECT   18   19   25   17   58                                       
CONECT   19   18   20   59   60                                       
CONECT   20   19   22   21   61                                       
CONECT   21   20   16   62   63                                       
CONECT   22   20   23   64   65                                       
CONECT   23   25   22   24   66                                       
CONECT   24   23   16   67   68                                       
CONECT   25   18   23   69   70                                       
CONECT   26    1    2   71                                            
CONECT   27    7    8   72                                            
CONECT   28   12   11   73                                            
CONECT   29    1    1                                                 
CONECT   30   11   11                                                 
CONECT   31   14   74                                                 
CONECT   32    7    7                                                 
CONECT   33   15    1                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14   75   75   76                                       
CONECT   53   77   77                                                 
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   53   53                                                 
CONECT   76   53   78                                                 
CONECT   77   53   53                                                 
CONECT   78   76                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
