COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.111   2.724  -0.196  1.00  0.00           C  
HETATM    2  C   UNL     1       0.612   1.320   0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.682   1.055  -0.576  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.803   0.785  -0.002  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.850   0.577  -0.788  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.578   0.682  -2.106  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.869   1.077  -2.274  1.00  0.00           S  
HETATM    8  C   UNL     1      -4.199   0.256  -0.266  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.436   0.270   1.109  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.685  -0.026   1.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.720  -0.341   0.709  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.481  -0.355  -0.669  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.234  -0.053  -1.151  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.024  -0.651   1.213  1.00  0.00           C  
HETATM   15  N   UNL     1      -9.059  -0.896   1.613  1.00  0.00           N  
HETATM   16  C   UNL     1       1.657   0.288  -0.278  1.00  0.00           C  
HETATM   17  C   UNL     1       1.158  -1.117   0.068  1.00  0.00           C  
HETATM   18  N   UNL     1       2.206  -2.095  -0.230  1.00  0.00           N  
HETATM   19  C   UNL     1       2.725  -3.003   0.614  1.00  0.00           C  
HETATM   20  N   UNL     1       3.634  -3.687  -0.033  1.00  0.00           N  
HETATM   21  C   UNL     1       3.723  -3.246  -1.287  1.00  0.00           C  
HETATM   22  N   UNL     1       2.864  -2.275  -1.458  1.00  0.00           N  
HETATM   23  C   UNL     1       2.951   0.553   0.448  1.00  0.00           C  
HETATM   24  C   UNL     1       2.990   0.516   1.831  1.00  0.00           C  
HETATM   25  C   UNL     1       4.179   0.760   2.497  1.00  0.00           C  
HETATM   26  C   UNL     1       5.327   1.039   1.782  1.00  0.00           C  
HETATM   27  C   UNL     1       5.288   1.077   0.398  1.00  0.00           C  
HETATM   28  C   UNL     1       4.101   0.829  -0.268  1.00  0.00           C  
HETATM   29  F   UNL     1       6.411   1.350  -0.302  1.00  0.00           F  
HETATM   30  F   UNL     1       1.867   0.242   2.531  1.00  0.00           F  
HETATM   31  O   UNL     1       1.872   0.383  -1.687  1.00  0.00           O  
HETATM   32  H   UNL     1       2.047   2.917   0.328  1.00  0.00           H  
HETATM   33  H   UNL     1       1.276   2.797  -1.271  1.00  0.00           H  
HETATM   34  H   UNL     1       0.367   3.460   0.108  1.00  0.00           H  
HETATM   35  H   UNL     1       0.447   1.248   1.225  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.283   0.551  -2.913  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.636   0.514   1.793  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.868  -0.015   2.658  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.280  -0.599  -1.354  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.050  -0.060  -2.215  1.00  0.00           H  
HETATM   41  H   UNL     1       0.909  -1.163   1.129  1.00  0.00           H  
HETATM   42  H   UNL     1       0.270  -1.343  -0.523  1.00  0.00           H  
HETATM   43  H   UNL     1       2.442  -3.143   1.647  1.00  0.00           H  
HETATM   44  H   UNL     1       4.392  -3.632  -2.042  1.00  0.00           H  
HETATM   45  H   UNL     1       4.209   0.731   3.576  1.00  0.00           H  
HETATM   46  H   UNL     1       6.254   1.230   2.301  1.00  0.00           H  
HETATM   47  H   UNL     1       4.071   0.857  -1.348  1.00  0.00           H  
HETATM   48  H   UNL     1       2.191   1.248  -1.979  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3   16   35                                       
CONECT    3    7    2    4    4                                       
CONECT    4    3    3    5                                            
CONECT    5    6    6    4    8                                       
CONECT    6    7    5    5   36                                       
CONECT    7    6    3                                                 
CONECT    8    9    5   13   13                                       
CONECT    9   10   10    8   37                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   14   12   12                                       
CONECT   12   11   11   13   39                                       
CONECT   13    8    8   12   40                                       
CONECT   14   11   15   15   15                                       
CONECT   15   14   14   14                                            
CONECT   16   31    2   23   17                                       
CONECT   17   16   18   41   42                                       
CONECT   18   19   17   22                                            
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   22   44                                       
CONECT   22   18   21   21                                            
CONECT   23   28   16   24   24                                       
CONECT   24   23   23   25   30                                       
CONECT   25   26   26   24   45                                       
CONECT   26   27   25   25   46                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27   23   47                                       
CONECT   29   27                                                      
CONECT   30   24                                                      
CONECT   31   16   48                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
