COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.415  -0.185   1.879  1.00  0.00           O  
HETATM    2  C   UNL     1       1.544  -0.502   0.711  1.00  0.00           C  
HETATM    3  C   UNL     1       2.739  -1.219   0.241  1.00  0.00           C  
HETATM    4  C   UNL     1       3.775  -1.568   1.105  1.00  0.00           C  
HETATM    5  C   UNL     1       2.817  -1.553  -1.129  1.00  0.00           C  
HETATM    6  N   UNL     1       1.796  -1.202  -1.950  1.00  0.00           N  
HETATM    7  C   UNL     1       3.939  -2.234  -1.605  1.00  0.00           C  
HETATM    8  C   UNL     1       4.952  -2.571  -0.737  1.00  0.00           C  
HETATM    9  C   UNL     1       4.874  -2.241   0.612  1.00  0.00           C  
HETATM   10  F   UNL     1       5.881  -2.582   1.445  1.00  0.00           F  
HETATM   11  N   UNL     1       0.591  -0.214  -0.206  1.00  0.00           N  
HETATM   12  C   UNL     1       0.752  -0.569  -1.508  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.624   0.494   0.208  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.815  -0.413   0.040  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.048   0.028   0.360  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.147  -0.809   0.205  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.097  -2.028  -0.233  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.241  -2.680  -0.317  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.309  -1.979   0.068  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.762  -0.382   0.571  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.665  -1.539  -0.384  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.806   1.742  -0.658  1.00  0.00           C  
HETATM   23  C   UNL     1       0.352   2.710  -0.408  1.00  0.00           C  
HETATM   24  C   UNL     1       0.249   3.890  -1.377  1.00  0.00           C  
HETATM   25  C   UNL     1       1.407   4.858  -1.127  1.00  0.00           C  
HETATM   26  C   UNL     1       1.340   5.373   0.312  1.00  0.00           C  
HETATM   27  C   UNL     1       1.443   4.193   1.281  1.00  0.00           C  
HETATM   28  C   UNL     1       0.285   3.225   1.031  1.00  0.00           C  
HETATM   29  H   UNL     1       3.718  -1.314   2.153  1.00  0.00           H  
HETATM   30  H   UNL     1       4.011  -2.495  -2.651  1.00  0.00           H  
HETATM   31  H   UNL     1       5.819  -3.098  -1.108  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.030  -0.317  -2.209  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.535   0.787   1.254  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.168   0.929   0.699  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.307  -3.699  -0.670  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.330  -2.331   0.074  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.821   1.456  -1.709  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.748   2.228  -0.400  1.00  0.00           H  
HETATM   39  H   UNL     1       1.298   2.193  -0.564  1.00  0.00           H  
HETATM   40  H   UNL     1       0.297   3.523  -2.402  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.697   4.407  -1.220  1.00  0.00           H  
HETATM   42  H   UNL     1       2.354   4.340  -1.284  1.00  0.00           H  
HETATM   43  H   UNL     1       1.334   5.698  -1.817  1.00  0.00           H  
HETATM   44  H   UNL     1       2.165   6.062   0.490  1.00  0.00           H  
HETATM   45  H   UNL     1       0.394   5.890   0.469  1.00  0.00           H  
HETATM   46  H   UNL     1       2.389   3.676   1.125  1.00  0.00           H  
HETATM   47  H   UNL     1       1.395   4.560   2.307  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.662   3.743   1.188  1.00  0.00           H  
HETATM   49  H   UNL     1       0.358   2.385   1.722  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   11    1    1                                       
CONECT    3    5    5    4    2                                       
CONECT    4    9    9    3   29                                       
CONECT    5    7    6    3    3                                       
CONECT    6    5   12   12                                            
CONECT    7    8    8    5   30                                       
CONECT    8    7    7    9   31                                       
CONECT    9    8   10    4    4                                       
CONECT   10    9                                                      
CONECT   11   12    2   13                                            
CONECT   12    6    6   11   32                                       
CONECT   13   22   11   14   33                                       
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   34                                            
CONECT   16   15   20   17   17                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   35                                       
CONECT   19   20   18   18   36                                       
CONECT   20   16   19                                                 
CONECT   21   14   14                                                 
CONECT   22   23   13   37   38                                       
CONECT   23   24   28   22   39                                       
CONECT   24   25   23   40   41                                       
CONECT   25   26   24   42   43                                       
CONECT   26   25   27   44   45                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   23   48   49                                       
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
