COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.690   0.895  -0.966  1.00  0.00           C  
HETATM    2  C   UNL     1       5.940   0.832  -1.552  1.00  0.00           C  
HETATM    3  C   UNL     1       7.055   0.567  -0.777  1.00  0.00           C  
HETATM    4  C   UNL     1       6.922   0.365   0.584  1.00  0.00           C  
HETATM    5  C   UNL     1       5.677   0.433   1.176  1.00  0.00           C  
HETATM    6  C   UNL     1       4.554   0.693   0.401  1.00  0.00           C  
HETATM    7  N   UNL     1       3.290   0.757   0.997  1.00  0.00           N  
HETATM    8  C   UNL     1       2.223   0.219   0.373  1.00  0.00           C  
HETATM    9  S   UNL     1       2.436  -0.666  -1.078  1.00  0.00           S  
HETATM   10  N   UNL     1       0.989   0.377   0.891  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.160  -0.275   0.258  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.278  -1.711   0.771  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.471  -2.396   0.100  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.200  -2.541  -1.398  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.678  -3.780   0.718  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.417   0.484   0.596  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.453   1.189   1.583  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.501   0.381  -0.198  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.735   1.089   0.151  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.633   0.217   1.054  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.987   0.398   0.623  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.626   1.298  -1.104  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.036   1.344  -0.456  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.034   0.963  -1.405  1.00  0.00           O  
HETATM   25  H   UNL     1       3.820   1.101  -1.572  1.00  0.00           H  
HETATM   26  H   UNL     1       6.046   0.988  -2.615  1.00  0.00           H  
HETATM   27  H   UNL     1       8.030   0.518  -1.237  1.00  0.00           H  
HETATM   28  H   UNL     1       7.795   0.158   1.186  1.00  0.00           H  
HETATM   29  H   UNL     1       5.574   0.275   2.240  1.00  0.00           H  
HETATM   30  H   UNL     1       3.181   1.188   1.859  1.00  0.00           H  
HETATM   31  H   UNL     1       0.862   0.922   1.683  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.022  -0.285  -0.823  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.425  -1.700   1.851  1.00  0.00           H  
HETATM   34  H   UNL     1       0.635  -2.258   0.534  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.367  -1.794   0.251  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.153  -1.553  -1.856  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.250  -3.056  -1.548  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.002  -3.117  -1.859  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.781  -4.383   0.567  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.871  -3.677   1.785  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.527  -4.268   0.240  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.464  -0.163  -1.000  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.511   2.042   0.630  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.350  -0.831   0.956  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.530   0.533   2.093  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.393   2.238  -1.605  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.536   0.456  -1.790  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.240   2.344  -0.074  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.881   0.970  -0.938  1.00  0.00           H  
CONECT    1    2    6    6   25                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4   27                                       
CONECT    4    3    5    5   28                                       
CONECT    5    4    4    6   29                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6    8   30                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   31                                            
CONECT   11   10   12   16   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   15   35                                       
CONECT   14   13   36   37   38                                       
CONECT   15   13   39   40   41                                       
CONECT   16   11   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   42                                            
CONECT   19   18   20   22   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   20   23                                                 
CONECT   22   19   23   46   47                                       
CONECT   23   21   22   24   48                                       
CONECT   24   23   49                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
