COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.263  -0.553   0.002  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.350  -1.569  -0.417  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.173   1.390   0.681  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.940  -1.604  -0.594  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.903  -0.364  -0.092  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.219  -2.342  -0.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.328  -0.110  -0.597  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.371  -2.178   0.218  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.135   3.826   0.213  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.412   5.383  -1.339  1.00  0.00           C  
HETATM   11  C   UNL     1       2.506  -0.567   0.132  1.00  0.00           C  
HETATM   12  C   UNL     1       6.957  -2.557  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1       8.877  -1.290  -0.163  1.00  0.00           C  
HETATM   14  C   UNL     1       8.150  -0.122  -0.297  1.00  0.00           C  
HETATM   15  C   UNL     1       6.315  -3.913   0.106  1.00  0.00           C  
HETATM   16  C   UNL     1       0.070   0.629   0.487  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.575  -0.820  -0.168  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.560   0.116   0.158  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.839   1.585   0.822  1.00  0.00           N  
HETATM   20  S   UNL     1      -2.325  -2.272  -0.783  1.00  0.00           S  
HETATM   21  C   UNL     1      -5.149   0.464   0.191  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.367  -3.676   0.388  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.293  -1.521   0.651  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.361   2.865   1.352  1.00  0.00           C  
HETATM   25  O   UNL     1       1.012   3.979  -0.469  1.00  0.00           O  
HETATM   26  C   UNL     1       0.850   4.922  -1.412  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.048   4.672  -0.296  1.00  0.00           C  
HETATM   28  S   UNL     1       1.780   0.986   0.713  1.00  0.00           S  
HETATM   29  C   UNL     1       4.007  -0.490   0.237  1.00  0.00           C  
HETATM   30  O   UNL     1       4.535   0.516   0.662  1.00  0.00           O  
HETATM   31  N   UNL     1       4.763  -1.539  -0.142  1.00  0.00           N  
HETATM   32  C   UNL     1       6.158  -1.427  -0.156  1.00  0.00           C  
HETATM   33  N   UNL     1       8.271  -2.455  -0.045  1.00  0.00           N  
HETATM   34  C   UNL     1       6.766  -0.181  -0.289  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.990   2.244   0.980  1.00  0.00           O  
HETATM   36  H   UNL     1      -5.208  -3.337  -0.508  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.307  -2.422  -2.036  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.211   0.127  -1.654  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.260   0.318  -0.228  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.855   6.144  -1.963  1.00  0.00           H  
HETATM   41  H   UNL     1       2.140  -1.390   0.746  1.00  0.00           H  
HETATM   42  H   UNL     1       2.222  -0.735  -0.906  1.00  0.00           H  
HETATM   43  H   UNL     1       9.956  -1.249  -0.169  1.00  0.00           H  
HETATM   44  H   UNL     1       8.655   0.828  -0.393  1.00  0.00           H  
HETATM   45  H   UNL     1       6.159  -4.348  -0.881  1.00  0.00           H  
HETATM   46  H   UNL     1       6.966  -4.563   0.690  1.00  0.00           H  
HETATM   47  H   UNL     1       5.356  -3.809   0.613  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.374   0.431   1.257  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.977   1.497  -0.113  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.488  -3.974   0.958  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.267  -3.983   0.920  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.344  -4.153  -0.592  1.00  0.00           H  
HETATM   53  H   UNL     1       0.575   2.710   1.888  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.106   3.277   2.033  1.00  0.00           H  
HETATM   55  H   UNL     1       1.605   5.256  -2.108  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.069   4.791   0.034  1.00  0.00           H  
HETATM   57  H   UNL     1       4.341  -2.372  -0.405  1.00  0.00           H  
HETATM   58  H   UNL     1       6.173   0.715  -0.391  1.00  0.00           H  
CONECT    1   16   16   17                                            
CONECT    2    6    8    7                                            
CONECT    3   19   18   35   35                                       
CONECT    4   20    5    5    6                                       
CONECT    5   18    4    4   21                                       
CONECT    6    4    2   36   37                                       
CONECT    7   21    2   38   39                                       
CONECT    8   23   23    2   22                                       
CONECT    9   27   27   25   24                                       
CONECT   10   27   26   26   40                                       
CONECT   11   29   28   41   42                                       
CONECT   12   33   33   32   15                                       
CONECT   13   14   14   33   43                                       
CONECT   14   13   13   34   44                                       
CONECT   15   12   45   46   47                                       
CONECT   16   28    1    1   19                                       
CONECT   17    1   20   18   18                                       
CONECT   18   17   17    3    5                                       
CONECT   19   16   24    3                                            
CONECT   20   17    4                                                 
CONECT   21    5    7   48   49                                       
CONECT   22    8   50   51   52                                       
CONECT   23    8    8                                                 
CONECT   24    9   19   53   54                                       
CONECT   25   26    9                                                 
CONECT   26   10   10   25   55                                       
CONECT   27   10    9    9   56                                       
CONECT   28   11   16                                                 
CONECT   29   30   30   31   11                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   57                                            
CONECT   32   34   34   12   31                                       
CONECT   33   13   12   12                                            
CONECT   34   14   32   32   58                                       
CONECT   35    3    3                                                 
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   31                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
