COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.661  -1.541  -0.323  1.00  0.00           C  
HETATM    2  C   UNL     1       4.494  -3.057  -0.205  1.00  0.00           C  
HETATM    3  C   UNL     1       6.059  -1.143   0.154  1.00  0.00           C  
HETATM    4  C   UNL     1       7.950   0.894   0.621  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.907   1.069   0.625  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.292   0.688  -0.682  1.00  0.00           C  
HETATM    7  O   UNL     1       6.214   1.010  -1.361  1.00  0.00           O  
HETATM    8  S   UNL     1       6.257   0.655   0.015  1.00  0.00           S  
HETATM    9  O   UNL     1       5.359   1.280   0.921  1.00  0.00           O  
HETATM   10  N   UNL     1       3.654  -0.873   0.506  1.00  0.00           N  
HETATM   11  C   UNL     1       2.389  -0.640   0.002  1.00  0.00           C  
HETATM   12  N   UNL     1       1.498  -0.035   0.772  1.00  0.00           N  
HETATM   13  C   UNL     1       0.273   0.206   0.321  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.670   0.831   1.096  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.324   1.246   2.458  1.00  0.00           C  
HETATM   16  N   UNL     1       2.112  -1.032  -1.237  1.00  0.00           N  
HETATM   17  C   UNL     1       0.918  -0.833  -1.767  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.057  -0.196  -0.992  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.401   0.063  -1.501  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.717   1.632   1.342  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.553   0.946  -1.121  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.583   0.282  -0.531  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.894   0.595  -0.866  1.00  0.00           C  
HETATM   24  F   UNL     1      -6.148   1.558  -1.779  1.00  0.00           F  
HETATM   25  C   UNL     1      -6.940  -0.082  -0.265  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.679  -1.068   0.671  1.00  0.00           C  
HETATM   27  F   UNL     1      -7.702  -1.728   1.258  1.00  0.00           F  
HETATM   28  C   UNL     1      -5.372  -1.380   1.005  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.325  -0.711   0.402  1.00  0.00           C  
HETATM   30  H   UNL     1       4.532  -1.241  -1.363  1.00  0.00           H  
HETATM   31  H   UNL     1       5.243  -3.554  -0.822  1.00  0.00           H  
HETATM   32  H   UNL     1       4.622  -3.358   0.835  1.00  0.00           H  
HETATM   33  H   UNL     1       3.498  -3.341  -0.545  1.00  0.00           H  
HETATM   34  H   UNL     1       6.187  -1.443   1.194  1.00  0.00           H  
HETATM   35  H   UNL     1       6.808  -1.640  -0.463  1.00  0.00           H  
HETATM   36  H   UNL     1       8.643   0.337  -0.009  1.00  0.00           H  
HETATM   37  H   UNL     1       8.200   1.954   0.589  1.00  0.00           H  
HETATM   38  H   UNL     1       8.022   0.534   1.647  1.00  0.00           H  
HETATM   39  H   UNL     1       3.875  -0.595   1.408  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.187   1.723   2.922  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.034   0.373   3.041  1.00  0.00           H  
HETATM   42  H   UNL     1       0.506   1.952   2.422  1.00  0.00           H  
HETATM   43  H   UNL     1       0.700  -1.154  -2.775  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.681  -0.234  -2.500  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.960   0.160  -0.524  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.171  -2.151   1.735  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.306  -0.957   0.660  1.00  0.00           H  
CONECT    1    2    3   10   30                                       
CONECT    2    1   31   32   33                                       
CONECT    3    1    8   34   35                                       
CONECT    4    8   36   37   38                                       
CONECT    5    6   14   20   20                                       
CONECT    6    5   19   19   21                                       
CONECT    7    8    8                                                 
CONECT    8    3    4    7    7                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    1   11   39                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13                                            
CONECT   13   12   14   18   18                                       
CONECT   14    5   13   15                                            
CONECT   15   14   40   41   42                                       
CONECT   16   11   17   17                                            
CONECT   17   16   16   18   43                                       
CONECT   18   13   13   17   19                                       
CONECT   19    6    6   18   44                                       
CONECT   20    5    5                                                 
CONECT   21    6   22                                                 
CONECT   22   21   23   23   29                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23                                                      
CONECT   25   23   26   26   45                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26                                                      
CONECT   28   26   29   29   46                                       
CONECT   29   22   28   28   47                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39   10                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
