COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.995  -0.215   0.130  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.308   1.147   0.086  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.640  -0.604   0.108  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.285   2.099   0.027  1.00  0.00           C  
HETATM    5  C   UNL     1       0.356   0.355   0.050  1.00  0.00           C  
HETATM    6  C   UNL     1       0.022   1.713   0.011  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.189  -1.044   0.188  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.326  -0.378   0.189  1.00  0.00           C  
HETATM    9  S   UNL     1      -4.056   1.352   0.118  1.00  0.00           S  
HETATM   10  C   UNL     1       1.781  -0.058   0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       2.116  -1.410   0.066  1.00  0.00           C  
HETATM   12  C   UNL     1       2.785   0.906  -0.035  1.00  0.00           C  
HETATM   13  C   UNL     1       3.442  -1.793   0.046  1.00  0.00           C  
HETATM   14  C   UNL     1       4.113   0.517  -0.056  1.00  0.00           C  
HETATM   15  C   UNL     1       4.442  -0.835  -0.011  1.00  0.00           C  
HETATM   16  O   UNL     1       5.095   1.455  -0.118  1.00  0.00           O  
HETATM   17  C   UNL     1       4.685   2.823  -0.161  1.00  0.00           C  
HETATM   18  O   UNL     1       5.747  -1.217  -0.031  1.00  0.00           O  
HETATM   19  C   UNL     1       6.014  -2.620   0.017  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.687  -1.023   0.244  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.659  -0.175  -0.459  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.630  -2.342  -0.402  1.00  0.00           N  
HETATM   23  H   UNL     1      -0.378  -1.651   0.137  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.533   3.149  -0.007  1.00  0.00           H  
HETATM   25  H   UNL     1       0.802   2.458  -0.035  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.146  -2.122   0.227  1.00  0.00           H  
HETATM   27  H   UNL     1       1.338  -2.158   0.112  1.00  0.00           H  
HETATM   28  H   UNL     1       2.528   1.954  -0.070  1.00  0.00           H  
HETATM   29  H   UNL     1       3.700  -2.841   0.075  1.00  0.00           H  
HETATM   30  H   UNL     1       5.564   3.465  -0.209  1.00  0.00           H  
HETATM   31  H   UNL     1       4.065   2.989  -1.042  1.00  0.00           H  
HETATM   32  H   UNL     1       4.112   3.059   0.736  1.00  0.00           H  
HETATM   33  H   UNL     1       5.553  -3.106  -0.843  1.00  0.00           H  
HETATM   34  H   UNL     1       7.091  -2.786  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       5.600  -3.037   0.935  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.764   0.715   0.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.399  -0.051  -1.426  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.923  -2.922   0.023  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.532  -2.795  -0.378  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.992  -1.141   1.283  1.00  0.00           H  
CONECT    1    3    3    7    2                                       
CONECT    2    1    4    4    9                                       
CONECT    3    1    1    5   23                                       
CONECT    4    2    2    6   24                                       
CONECT    5    3   10    6    6                                       
CONECT    6    4    5    5   25                                       
CONECT    7    1    8    8   26                                       
CONECT    8    7    7   20    9                                       
CONECT    9    2    8                                                 
CONECT   10    5   12   12   11                                       
CONECT   11   10   13   13   27                                       
CONECT   12   10   10   14   28                                       
CONECT   13   11   11   15   29                                       
CONECT   14   12   16   15   15                                       
CONECT   15   13   14   14   18                                       
CONECT   16   14   17                                                 
CONECT   17   16   30   31   32                                       
CONECT   18   15   19                                                 
CONECT   19   18   33   34   35                                       
CONECT   20    8   22   21   40                                       
CONECT   21   20   36   37                                            
CONECT   22   20   38   39                                            
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   20                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
