COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.077  -0.488  -5.373  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.265  -0.024  -4.410  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.645   0.849  -3.668  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.878  -0.594  -4.255  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.204   0.067  -3.152  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.304  -0.428  -1.909  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.955  -1.425  -1.707  1.00  0.00           O  
HETATM    8  C   UNL     1       0.396   0.258  -0.765  1.00  0.00           C  
HETATM    9  C   UNL     1       1.879   0.286  -1.028  1.00  0.00           C  
HETATM   10  S   UNL     1       2.767  -1.222  -1.226  1.00  0.00           S  
HETATM   11  C   UNL     1       2.514   1.442  -1.110  1.00  0.00           C  
HETATM   12  N   UNL     1       0.133  -0.471   0.477  1.00  0.00           N  
HETATM   13  C   UNL     1       0.101   0.187   1.652  1.00  0.00           C  
HETATM   14  O   UNL     1       0.289   1.385   1.681  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.168  -0.563   2.930  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.150   0.411   4.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.424  -0.351   5.406  1.00  0.00           C  
HETATM   18  CA  UNL     1      -0.406   0.624   6.585  1.00  0.00           C  
HETATM   19  N   UNL     1       0.909   1.270   6.665  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.676  -0.127   7.863  1.00  0.00           C  
HETATM   21  O   UNL     1       0.241  -0.592   8.495  1.00  0.00           O  
HETATM   22  OXT UNL     1      -1.937  -0.279   8.298  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.087  -0.370  -5.545  1.00  0.00           C  
HETATM   24  C   UNL     1       0.006   1.129  -5.832  1.00  0.00           C  
HETATM   25  C   UNL     1       1.320  -0.948  -5.387  1.00  0.00           C  
HETATM   26  O   UNL     1       0.745   1.339  -7.037  1.00  0.00           O  
HETATM   27  H   UNL     1      -3.966  -0.123  -5.473  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.945  -1.662  -4.050  1.00  0.00           H  
HETATM   29  H   UNL     1       0.024   1.279  -0.672  1.00  0.00           H  
HETATM   30  H   UNL     1       4.005  -0.739  -1.433  1.00  0.00           H  
HETATM   31  H   UNL     1       3.577   1.461  -1.298  1.00  0.00           H  
HETATM   32  H   UNL     1       1.970   2.367  -0.989  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.016  -1.429   0.453  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.145  -1.043   2.870  1.00  0.00           H  
HETATM   35  H   UNL     1       0.600  -1.322   3.075  1.00  0.00           H  
HETATM   36  H   UNL     1       0.826   0.891   4.168  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.919   1.170   3.964  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.401  -0.830   5.346  1.00  0.00           H  
HETATM   39  H   UNL     1       0.344  -1.109   5.551  1.00  0.00           H  
HETATM   40  HA  UNL     1      -1.175   1.383   6.440  1.00  0.00           H  
HETATM   41  H1  UNL     1       1.586   0.534   6.799  1.00  0.00           H  
HETATM   42  H2  UNL     1       1.092   1.671   5.757  1.00  0.00           H  
HETATM   43  HXT UNL     1      -2.110  -0.761   9.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.593  -0.867  -6.373  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.996   1.541  -5.944  1.00  0.00           H  
HETATM   46  H   UNL     1       0.512   1.626  -5.004  1.00  0.00           H  
HETATM   47  H   UNL     1       1.826  -0.451  -4.560  1.00  0.00           H  
HETATM   48  H   UNL     1       1.253  -2.017  -5.183  1.00  0.00           H  
HETATM   49  H   UNL     1       1.883  -0.788  -6.307  1.00  0.00           H  
HETATM   50  H   UNL     1       0.780   2.294  -7.181  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   23   28                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   12   29                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   30                                                 
CONECT   11    9    9   31   32                                       
CONECT   12    8   13   33                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   34   35                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   17   19   20   40                                       
CONECT   19   18   41   42                                            
CONECT   20   18   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   43                                                 
CONECT   23    4   24   25   44                                       
CONECT   24   23   26   45   46                                       
CONECT   25   23   47   48   49                                       
CONECT   26   24   50                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
