COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.555  -1.509   0.103  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.351  -1.053   1.392  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.213  -0.330   1.697  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.278  -0.065   0.714  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.620  -1.244  -0.881  1.00  0.00           C  
HETATM    6  C   UNL     1       1.460   0.693   1.021  1.00  0.00           C  
HETATM    7  C   UNL     1       3.876   0.423   0.849  1.00  0.00           C  
HETATM    8  C   UNL     1       5.070  -0.321   0.392  1.00  0.00           C  
HETATM    9  C   UNL     1       7.309  -1.715  -0.466  1.00  0.00           C  
HETATM   10  C   UNL     1       7.459  -0.530   0.257  1.00  0.00           C  
HETATM   11  C   UNL     1       6.347   0.162   0.683  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.006   2.130  -1.023  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.192   4.516  -0.914  1.00  0.00           C  
HETATM   14  F   UNL     1      -1.241   5.716  -1.534  1.00  0.00           F  
HETATM   15  C   UNL     1      -1.056   3.357  -1.658  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.278   4.446   0.466  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.228   3.218   1.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.092   2.061   0.355  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.038   0.724   1.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.481  -0.523  -0.575  1.00  0.00           C  
HETATM   21  S   UNL     1      -6.002  -2.437  -0.285  1.00  0.00           S  
HETATM   22  O   UNL     1      -5.622  -3.230  -1.401  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.374  -3.037   0.948  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.222  -1.187  -0.778  1.00  0.00           C  
HETATM   25  C   UNL     1       0.197  -0.046   0.573  1.00  0.00           C  
HETATM   26  N   UNL     1       2.643  -0.044   0.568  1.00  0.00           N  
HETATM   27  O   UNL     1       4.007   1.454   1.479  1.00  0.00           O  
HETATM   28  C   UNL     1       8.465  -2.435  -0.909  1.00  0.00           C  
HETATM   29  N   UNL     1       9.382  -3.006  -1.260  1.00  0.00           N  
HETATM   30  C   UNL     1       6.031  -2.202  -0.752  1.00  0.00           C  
HETATM   31  C   UNL     1       4.920  -1.509  -0.326  1.00  0.00           C  
HETATM   32  H   UNL     1      -5.082  -1.260   2.160  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.054   0.027   2.704  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.779  -1.601  -1.887  1.00  0.00           H  
HETATM   35  H   UNL     1       1.468   1.694   0.590  1.00  0.00           H  
HETATM   36  H   UNL     1       1.472   0.766   2.109  1.00  0.00           H  
HETATM   37  H   UNL     1       8.447  -0.154   0.478  1.00  0.00           H  
HETATM   38  H   UNL     1       6.463   1.079   1.243  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.904   1.225  -1.604  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.988   3.410  -2.735  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.383   5.350   1.047  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.295   3.163   2.176  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.981   0.874   2.125  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.751  -0.315  -1.343  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.848  -0.636  -1.641  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.160  -1.678  -1.038  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.390  -0.498   0.049  1.00  0.00           H  
HETATM   48  H   UNL     1       0.185  -0.119  -0.514  1.00  0.00           H  
HETATM   49  H   UNL     1       0.190  -1.046   1.005  1.00  0.00           H  
HETATM   50  H   UNL     1       2.539  -0.867   0.065  1.00  0.00           H  
HETATM   51  H   UNL     1       5.915  -3.118  -1.312  1.00  0.00           H  
HETATM   52  H   UNL     1       3.932  -1.885  -0.548  1.00  0.00           H  
CONECT    1    2    2    5   21                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3   19   20                                       
CONECT    5    1   20   20   34                                       
CONECT    6   25   26   35   36                                       
CONECT    7    8   26   27   27                                       
CONECT    8    7   11   11   31                                       
CONECT    9   10   10   28   30                                       
CONECT   10    9    9   11   37                                       
CONECT   11    8    8   10   38                                       
CONECT   12   15   15   18   39                                       
CONECT   13   14   15   16   16                                       
CONECT   14   13                                                      
CONECT   15   12   12   13   40                                       
CONECT   16   13   13   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   12   17   17   19                                       
CONECT   19    4   18   25   43                                       
CONECT   20    4    5    5   44                                       
CONECT   21    1   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   45   46   47                                       
CONECT   25    6   19   48   49                                       
CONECT   26    6    7   50                                            
CONECT   27    7    7                                                 
CONECT   28    9   29   29   29                                       
CONECT   29   28   28   28                                            
CONECT   30    9   31   31   51                                       
CONECT   31    8   30   30   52                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
