COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.304  -0.839  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.859  -2.060  -0.384  1.00  0.00           C  
HETATM    3  C   UNL     1       2.476  -3.062   0.587  1.00  0.00           C  
HETATM    4  C   UNL     1       0.973  -1.069   0.396  1.00  0.00           C  
HETATM    5  C   UNL     1       1.993   2.320   0.067  1.00  0.00           C  
HETATM    6  C   UNL     1       4.564  -0.217  -1.885  1.00  0.00           C  
HETATM    7  C   UNL     1       3.232  -0.092   0.182  1.00  0.00           C  
HETATM    8  C   UNL     1       1.906   0.009   0.892  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.160   1.468   0.875  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.961   0.518  -0.023  1.00  0.00           C  
HETATM   11  N   UNL     1       3.275  -0.118  -1.195  1.00  0.00           N  
HETATM   12  N   UNL     1       4.327  -0.156   0.864  1.00  0.00           N  
HETATM   13  N   UNL     1       1.274   1.307   0.591  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.336   0.405   0.483  1.00  0.00           N  
HETATM   15  N   UNL     1       0.051  -2.990  -0.222  1.00  0.00           N  
HETATM   16  N   UNL     1       1.217  -2.383   0.269  1.00  0.00           N  
HETATM   17  O   UNL     1       5.572  -0.252   0.197  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.276   0.147  -0.608  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.701  -0.686   1.076  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.226   1.420   0.156  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.458  -0.425  -1.292  1.00  0.00           O  
HETATM   22  O   UNL     1       3.156   2.145  -0.237  1.00  0.00           O  
HETATM   23  S   UNL     1      -4.725   0.018  -0.159  1.00  0.00           S  
HETATM   24  H   UNL     1      -1.863  -2.213  -0.749  1.00  0.00           H  
HETATM   25  H   UNL     1       2.501  -3.302   1.650  1.00  0.00           H  
HETATM   26  H   UNL     1       2.549  -3.981   0.006  1.00  0.00           H  
HETATM   27  H   UNL     1       3.313  -2.409   0.342  1.00  0.00           H  
HETATM   28  H   UNL     1       4.399  -0.223  -2.963  1.00  0.00           H  
HETATM   29  H   UNL     1       5.186   0.638  -1.618  1.00  0.00           H  
HETATM   30  H   UNL     1       5.065  -1.138  -1.589  1.00  0.00           H  
HETATM   31  H   UNL     1       2.053  -0.093   1.967  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.457   2.497   0.673  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.353   1.231   1.921  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.978   0.905  -1.042  1.00  0.00           H  
HETATM   35  H   UNL     1       2.453  -0.070  -1.707  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.402  -0.307   1.194  1.00  0.00           H  
HETATM   37  H   UNL     1       6.334  -0.294   0.790  1.00  0.00           H  
HETATM   38  O   UNL     1       1.421   3.525  -0.118  1.00  0.00           O  
HETATM   39  H   UNL     1      -6.145   1.452   0.454  1.00  0.00           H  
HETATM   40  H   UNL     1       1.977   4.220  -0.496  1.00  0.00           H  
CONECT    1   10    2    4    4                                       
CONECT    2    1   15   15   24                                       
CONECT    3   16   25   26   27                                       
CONECT    4    1    1    8   16                                       
CONECT    5   13   22   22   38                                       
CONECT    6   11   28   29   30                                       
CONECT    7   12   12   11    8                                       
CONECT    8   13    7    4   31                                       
CONECT    9   10   13   32   33                                       
CONECT   10    9   14    1   34                                       
CONECT   11    7    6   35                                            
CONECT   12   17    7    7                                            
CONECT   13    9    5    8                                            
CONECT   14   10   18   36                                            
CONECT   15    2    2   16                                            
CONECT   16    4   15    3                                            
CONECT   17   12   37                                                 
CONECT   18   14   23                                                 
CONECT   19   23   23                                                 
CONECT   20   23   39                                                 
CONECT   21   23   23                                                 
CONECT   22    5    5                                                 
CONECT   23   18   21   21   19                                       
CONECT   23   19   20                                                 
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38    5   40                                                 
CONECT   39   20                                                      
CONECT   40   38                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
