COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.017  -2.640   0.555  1.00  0.00           O  
HETATM    2  C   UNL     1       2.896  -1.778   0.761  1.00  0.00           C  
HETATM    3  C   UNL     1       2.590  -0.971  -0.520  1.00  0.00           C  
HETATM    4  O   UNL     1       1.149  -0.895  -0.573  1.00  0.00           O  
HETATM    5  C   UNL     1       0.684  -2.201  -0.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.767  -2.124   0.311  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.615  -1.791  -0.790  1.00  0.00           O  
HETATM    8  C   UNL     1       1.613  -2.605   0.999  1.00  0.00           C  
HETATM    9  O   UNL     1       1.903  -4.004   0.947  1.00  0.00           O  
HETATM   10  N   UNL     1       3.168   0.372  -0.428  1.00  0.00           N  
HETATM   11  C   UNL     1       4.168   0.740  -1.287  1.00  0.00           C  
HETATM   12  C   UNL     1       4.701   1.978  -1.202  1.00  0.00           C  
HETATM   13  C   UNL     1       4.210   2.873  -0.220  1.00  0.00           C  
HETATM   14  O   UNL     1       4.675   3.994  -0.124  1.00  0.00           O  
HETATM   15  N   UNL     1       3.224   2.472   0.608  1.00  0.00           N  
HETATM   16  C   UNL     1       2.708   1.234   0.498  1.00  0.00           C  
HETATM   17  O   UNL     1       1.819   0.886   1.251  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.087   0.912  -0.242  1.00  0.00           C  
HETATM   19  CA  UNL     1      -3.274   2.210   0.501  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.764   2.551   0.563  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.555   3.282  -0.199  1.00  0.00           N  
HETATM   22  N   UNL     1      -3.295  -0.261   0.388  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.749   0.923  -1.407  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.795  -1.554  -1.654  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.346  -2.726   0.507  1.00  0.00           O  
HETATM   26  O   UNL     1      -4.952   3.718   1.366  1.00  0.00           O  
HETATM   27  S   UNL     1      -3.089  -1.688  -0.428  1.00  0.00           S  
HETATM   28  H   UNL     1       4.253  -3.170   1.328  1.00  0.00           H  
HETATM   29  H   UNL     1       3.081  -1.107   1.600  1.00  0.00           H  
HETATM   30  H   UNL     1       2.977  -1.490  -1.397  1.00  0.00           H  
HETATM   31  H   UNL     1       0.775  -2.909  -0.990  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.066  -3.089   0.720  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.856  -1.359   1.082  1.00  0.00           H  
HETATM   34  H   UNL     1       1.162  -2.343   1.956  1.00  0.00           H  
HETATM   35  H   UNL     1       2.530  -4.301   1.620  1.00  0.00           H  
HETATM   36  H   UNL     1       4.529   0.044  -2.029  1.00  0.00           H  
HETATM   37  H   UNL     1       5.490   2.281  -1.873  1.00  0.00           H  
HETATM   38  H   UNL     1       2.884   3.079   1.283  1.00  0.00           H  
HETATM   39  HA  UNL     1      -2.881   2.109   1.513  1.00  0.00           H  
HETATM   40  H1  UNL     1      -5.136   2.739  -0.444  1.00  0.00           H  
HETATM   41  H2  UNL     1      -5.310   1.716   1.003  1.00  0.00           H  
HETATM   42  H1  UNL     1      -2.901   3.395  -1.140  1.00  0.00           H  
HETATM   43  H2  UNL     1      -2.611   4.150   0.313  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.565  -0.270   1.320  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.875   3.994   1.450  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    1    3    8   29                                       
CONECT    3    2   10    4   30                                       
CONECT    4    3    5                                                 
CONECT    5    8    4    6   31                                       
CONECT    6    5    7   32   33                                       
CONECT    7    6   27                                                 
CONECT    8    2    9    5   34                                       
CONECT    9    8   35                                                 
CONECT   10   16    3   11                                            
CONECT   11   10   12   12   36                                       
CONECT   12   13   11   11   37                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   38                                            
CONECT   16   17   17   15   10                                       
CONECT   17   16   16                                                 
CONECT   18   22   19   23   23                                       
CONECT   19   20   18   21   39                                       
CONECT   20   26   19   40   41                                       
CONECT   21   19   42   43                                            
CONECT   22   27   18   44                                            
CONECT   23   18   18                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26   20   45                                                 
CONECT   27    7   24   24   22                                       
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
