COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.229  -3.023   0.878  1.00  0.00           O  
HETATM    2  C   UNL     1       5.799  -1.908   0.641  1.00  0.00           C  
HETATM    3  N   UNL     1       6.224  -1.231  -0.444  1.00  0.00           N  
HETATM    4  C   UNL     1       5.748   0.001  -0.705  1.00  0.00           C  
HETATM    5  N   UNL     1       4.845   0.580   0.108  1.00  0.00           N  
HETATM    6  C   UNL     1       4.388  -0.074   1.219  1.00  0.00           C  
HETATM    7  C   UNL     1       4.844  -1.314   1.501  1.00  0.00           C  
HETATM    8  O   UNL     1       6.141   0.600  -1.687  1.00  0.00           O  
HETATM    9  C   UNL     1       4.346   1.922  -0.201  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.813   1.311   0.023  1.00  0.00           C  
HETATM   11  O   UNL     1       3.017   1.828  -0.720  1.00  0.00           O  
HETATM   12  C   UNL     1       2.012   1.663   0.282  1.00  0.00           C  
HETATM   13  C   UNL     1       0.637   1.575  -0.384  1.00  0.00           C  
HETATM   14  S   UNL     1      -4.397   0.771   0.613  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.439   1.399   0.689  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.727   1.635  -0.466  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.377  -0.863  -0.046  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.376  -1.952   0.805  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.360  -3.234   0.288  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.346  -3.427  -1.081  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.844   1.141   1.051  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.348  -2.338  -1.932  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.150   0.709   1.817  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.368  -1.056  -1.415  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.083   2.595  -0.762  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.842   0.114  -0.930  1.00  0.00           C  
HETATM   27  H   UNL     1       6.876  -1.633  -1.040  1.00  0.00           H  
HETATM   28  H   UNL     1       3.663   0.397   1.866  1.00  0.00           H  
HETATM   29  H   UNL     1       4.489  -1.842   2.373  1.00  0.00           H  
HETATM   30  H   UNL     1       4.339   2.525   0.706  1.00  0.00           H  
HETATM   31  H   UNL     1       4.993   2.388  -0.943  1.00  0.00           H  
HETATM   32  H   UNL     1       2.204   0.748   0.842  1.00  0.00           H  
HETATM   33  H   UNL     1       2.033   2.516   0.961  1.00  0.00           H  
HETATM   34  H   UNL     1       0.446   2.491  -0.943  1.00  0.00           H  
HETATM   35  H   UNL     1       0.617   0.723  -1.063  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.418   2.251   1.369  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.247   0.483   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.387  -1.801   1.875  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.359  -4.085   0.954  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.333  -4.429  -1.484  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.616   1.247   1.988  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.336  -2.489  -3.001  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.373  -0.206  -2.080  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.245   2.796  -1.430  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.994   2.479  -1.348  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.201   3.428  -0.068  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.846  -0.810  -0.353  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.741   0.162  -1.545  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.961   0.139  -1.571  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   27                                            
CONECT    4    3    5    8    8                                       
CONECT    5    4    6    9                                            
CONECT    6    5    7    7   28                                       
CONECT    7    2    6    6   29                                       
CONECT    8    4    4                                                 
CONECT    9    5   11   30   31                                       
CONECT   10   15   21   25   26                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   32   33                                       
CONECT   13   12   15   34   35                                       
CONECT   14   16   16   17   21                                       
CONECT   14   23   23                                                 
CONECT   15   10   13   36   37                                       
CONECT   16   14   14                                                 
CONECT   17   14   18   18   24                                       
CONECT   18   17   17   19   38                                       
CONECT   19   18   20   20   39                                       
CONECT   20   19   19   22   40                                       
CONECT   21   10   14   41                                            
CONECT   22   20   24   24   42                                       
CONECT   23   14   14                                                 
CONECT   24   17   22   22   43                                       
CONECT   25   10   44   45   46                                       
CONECT   26   10   47   48   49                                       
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
