COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.221   1.295   0.203  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.965   1.526   0.834  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.668   0.398   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.718  -0.239  -0.633  1.00  0.00           C  
HETATM    5  O   UNL     1       3.997  -3.568   0.210  1.00  0.00           O  
HETATM    6  S   UNL     1       3.829  -2.281   0.789  1.00  0.00           S  
HETATM    7  O   UNL     1       4.150  -1.990   2.143  1.00  0.00           O  
HETATM    8  N   UNL     1       4.714  -1.232  -0.137  1.00  0.00           N  
HETATM    9  C   UNL     1       4.723   0.123   0.165  1.00  0.00           C  
HETATM   10  C   UNL     1       5.465   1.017  -0.609  1.00  0.00           C  
HETATM   11  O   UNL     1       6.193   0.582  -1.674  1.00  0.00           O  
HETATM   12  C   UNL     1       5.534   0.552  -2.941  1.00  0.00           C  
HETATM   13  C   UNL     1       5.440   2.365  -0.262  1.00  0.00           C  
HETATM   14  O   UNL     1       6.144   3.274  -0.983  1.00  0.00           O  
HETATM   15  C   UNL     1       6.065   4.637  -0.562  1.00  0.00           C  
HETATM   16  N   UNL     1       4.716   2.750   0.785  1.00  0.00           N  
HETATM   17  C   UNL     1       4.029   1.875   1.491  1.00  0.00           C  
HETATM   18  N   UNL     1       4.021   0.591   1.194  1.00  0.00           N  
HETATM   19  C   UNL     1       2.132  -1.859   0.579  1.00  0.00           C  
HETATM   20  C   UNL     1       1.393  -2.450  -0.430  1.00  0.00           C  
HETATM   21  C   UNL     1       0.062  -2.121  -0.597  1.00  0.00           C  
HETATM   22  C   UNL     1       1.539  -0.941   1.427  1.00  0.00           C  
HETATM   23  C   UNL     1       0.208  -0.608   1.265  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.535  -1.196   0.249  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.880  -0.861   0.083  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.662  -1.482  -0.989  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.073  -0.953  -0.952  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.073  -1.449  -1.966  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.425  -1.356  -1.392  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.957   0.235  -0.535  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.399  -0.089  -0.056  1.00  0.00           N  
HETATM   32  O   UNL     1      -5.086   2.108   1.448  1.00  0.00           O  
HETATM   33  N   UNL     1      -7.247   1.949   0.893  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.509   1.754   0.273  1.00  0.00           N  
HETATM   35  H   UNL     1       5.226  -1.564  -0.892  1.00  0.00           H  
HETATM   36  H   UNL     1       4.671  -0.111  -2.886  1.00  0.00           H  
HETATM   37  H   UNL     1       5.204   1.557  -3.203  1.00  0.00           H  
HETATM   38  H   UNL     1       6.225   0.187  -3.701  1.00  0.00           H  
HETATM   39  H   UNL     1       5.029   4.971  -0.603  1.00  0.00           H  
HETATM   40  H   UNL     1       6.435   4.724   0.460  1.00  0.00           H  
HETATM   41  H   UNL     1       6.673   5.257  -1.222  1.00  0.00           H  
HETATM   42  H   UNL     1       3.452   2.221   2.335  1.00  0.00           H  
HETATM   43  H   UNL     1       1.858  -3.169  -1.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.513  -2.583  -1.386  1.00  0.00           H  
HETATM   45  H   UNL     1       2.117  -0.484   2.216  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.254   0.109   1.928  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.297  -0.217   0.677  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.211  -1.245  -1.953  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.675  -2.563  -0.850  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.015  -0.835  -2.865  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.213   1.300  -0.216  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.718   2.533   0.813  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.853  -2.486  -2.218  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.084  -2.052  -1.541  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.475   2.724   1.431  1.00  0.00           H  
CONECT    1   34   33   30   30                                       
CONECT    2   33   32   32    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4   30    3    3   29                                       
CONECT    5    6    6                                                 
CONECT    6    5    5    8   19                                       
CONECT    6    7    7                                                 
CONECT    7    6    6                                                 
CONECT    8    9    6   35                                            
CONECT    9   18    8   10   10                                       
CONECT   10    9    9   13   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   36   37   38                                       
CONECT   13   16   16   10   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   39   40   41                                       
CONECT   16   17   13   13                                            
CONECT   17   18   18   16   42                                       
CONECT   18   17   17    9                                            
CONECT   19   22    6   20   20                                       
CONECT   20   19   19   21   43                                       
CONECT   21   24   24   20   44                                       
CONECT   22   23   23   19   45                                       
CONECT   23   22   22   24   46                                       
CONECT   24   23   25   21   21                                       
CONECT   25   24   26   47                                            
CONECT   26   27   25   48   49                                       
CONECT   27   31   31   28   26                                       
CONECT   28   29   27   50   53                                       
CONECT   29    4   28   54                                            
CONECT   30    1    1    4                                            
CONECT   31    3   27   27                                            
CONECT   32    2    2                                                 
CONECT   33    1    2   55                                            
CONECT   34    1   51   52                                            
CONECT   35    8                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   34                                                      
CONECT   52   34                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
