COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.138  -1.061  -0.754  1.00  0.00           C  
HETATM    2  C   UNL     1       4.153  -0.948   0.324  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.794   0.184  -1.269  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.739   1.177  -1.401  1.00  0.00           C  
HETATM    5  C   UNL     1       2.986  -0.577  -1.864  1.00  0.00           C  
HETATM    6  C   UNL     1       1.116  -1.869  -0.978  1.00  0.00           C  
HETATM    7  C   UNL     1       0.643   0.412  -1.676  1.00  0.00           C  
HETATM    8  C   UNL     1       3.768  -0.071  -0.680  1.00  0.00           C  
HETATM    9  C   UNL     1       4.103   1.266  -0.594  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.450  -1.305  -0.370  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.050   0.935  -1.016  1.00  0.00           C  
HETATM   12  C   UNL     1       4.873  -0.482   1.413  1.00  0.00           C  
HETATM   13  C   UNL     1       5.207   0.856   1.500  1.00  0.00           C  
HETATM   14  C   UNL     1       4.823   1.732   0.496  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.403  -0.309  -0.501  1.00  0.00           C  
HETATM   16  C   UNL     1       5.895   3.459   1.731  1.00  0.00           C  
HETATM   17  C   UNL     1       4.247  -3.109   1.311  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.554   3.163  -1.680  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.070   1.444   1.437  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.162  -2.053  -0.623  1.00  0.00           N  
HETATM   21  N   UNL     1       1.575  -0.715  -1.494  1.00  0.00           N  
HETATM   22  O   UNL     1       5.153   3.049   0.581  1.00  0.00           O  
HETATM   23  O   UNL     1       3.819  -2.263   0.242  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.989   1.911  -1.144  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.688  -0.547  -0.125  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.834  -0.596   2.071  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.286  -0.697   1.601  1.00  0.00           O  
HETATM   28  O   UNL     1       1.897  -2.788  -0.828  1.00  0.00           O  
HETATM   29  S   UNL     1      -4.981  -0.206   1.329  1.00  0.00           S  
HETATM   30  H   UNL     1      -1.461   2.140  -1.801  1.00  0.00           H  
HETATM   31  H   UNL     1       3.078   0.129  -2.689  1.00  0.00           H  
HETATM   32  H   UNL     1       3.377  -1.547  -2.171  1.00  0.00           H  
HETATM   33  H   UNL     1       0.654   0.689  -2.730  1.00  0.00           H  
HETATM   34  H   UNL     1       1.025   1.258  -1.105  1.00  0.00           H  
HETATM   35  H   UNL     1       3.803   1.949  -1.375  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.726  -2.269   0.030  1.00  0.00           H  
HETATM   37  H   UNL     1       5.172  -1.165   2.195  1.00  0.00           H  
HETATM   38  H   UNL     1       5.768   1.219   2.349  1.00  0.00           H  
HETATM   39  H   UNL     1       6.091   4.530   1.673  1.00  0.00           H  
HETATM   40  H   UNL     1       5.320   3.243   2.631  1.00  0.00           H  
HETATM   41  H   UNL     1       6.841   2.918   1.765  1.00  0.00           H  
HETATM   42  H   UNL     1       3.916  -4.130   1.121  1.00  0.00           H  
HETATM   43  H   UNL     1       5.335  -3.087   1.378  1.00  0.00           H  
HETATM   44  H   UNL     1       3.818  -2.756   2.248  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.399   3.850  -1.728  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.779   3.583  -1.040  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.154   3.009  -2.683  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.643   1.856   2.103  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.549   1.998   0.835  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.422  -2.913  -0.257  1.00  0.00           H  
CONECT    1   20    3    3   10                                       
CONECT    2   23   12   12    8                                       
CONECT    3    7    1    1    4                                       
CONECT    4    3   11   11   30                                       
CONECT    5    8   21   31   32                                       
CONECT    6   21   28   28   20                                       
CONECT    7   21    3   33   34                                       
CONECT    8    2    5    9    9                                       
CONECT    9    8    8   14   35                                       
CONECT   10    1   15   15   36                                       
CONECT   11    4    4   15   24                                       
CONECT   12    2    2   13   37                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13    9   22                                       
CONECT   15   10   10   11   25                                       
CONECT   16   22   39   40   41                                       
CONECT   17   23   42   43   44                                       
CONECT   18   24   45   46   47                                       
CONECT   19   29   48   49                                            
CONECT   20    6    1   50                                            
CONECT   21    5    7    6                                            
CONECT   22   14   16                                                 
CONECT   23   17    2                                                 
CONECT   24   18   11                                                 
CONECT   25   15   29                                                 
CONECT   26   29   29                                                 
CONECT   27   29   29                                                 
CONECT   28    6    6                                                 
CONECT   29   25   27   27   19                                       
CONECT   29   26   26                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
