COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.799   2.661  -3.859  1.00  0.00           C  
HETATM    2  O   UNL     1       0.313   1.462  -3.253  1.00  0.00           O  
HETATM    3  C   UNL     1       0.046   1.509  -1.931  1.00  0.00           C  
HETATM    4  O   UNL     1       0.221   2.541  -1.311  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.438   0.358  -1.266  1.00  0.00           C  
HETATM    6  C   UNL     1       0.430  -0.594  -0.872  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.035  -1.712  -0.232  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.377  -2.033  -0.306  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.260  -1.155  -0.668  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.911   0.219  -1.006  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.296   1.117   0.141  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.288   0.628   1.434  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.641   1.451   2.487  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.003   2.766   2.247  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.011   3.255   0.952  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.652   2.432  -0.100  1.00  0.00           C  
HETATM   17 CL   UNL     1      -2.655   3.047  -1.723  1.00  0.00          Cl  
HETATM   18  F   UNL     1      -3.350   3.570   3.276  1.00  0.00           F  
HETATM   19  C   UNL     1      -1.813  -3.400   0.033  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.032  -4.373   0.415  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.624  -5.513   0.674  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.954  -5.529   0.512  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.474  -3.984  -0.005  1.00  0.00           S  
HETATM   24  C   UNL     1       1.905  -0.429  -1.134  1.00  0.00           C  
HETATM   25  N   UNL     1       2.621  -0.331   0.145  1.00  0.00           N  
HETATM   26  C   UNL     1       2.322   0.949   0.823  1.00  0.00           C  
HETATM   27  C   UNL     1       3.601   1.377   1.566  1.00  0.00           C  
HETATM   28  C   UNL     1       4.643   0.282   1.240  1.00  0.00           C  
HETATM   29  C   UNL     1       4.092  -0.343  -0.067  1.00  0.00           C  
HETATM   30  C   UNL     1       4.593  -1.753  -0.235  1.00  0.00           C  
HETATM   31  O   UNL     1       5.910  -1.989  -0.342  1.00  0.00           O  
HETATM   32  O   UNL     1       3.810  -2.673  -0.273  1.00  0.00           O  
HETATM   33  F   UNL     1       3.368   1.430   2.944  1.00  0.00           F  
HETATM   34  F   UNL     1       4.041   2.620   1.099  1.00  0.00           F  
HETATM   35  H   UNL     1       0.061   3.454  -3.737  1.00  0.00           H  
HETATM   36  H   UNL     1       1.733   2.957  -3.381  1.00  0.00           H  
HETATM   37  H   UNL     1       0.973   2.487  -4.921  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.006  -0.397   1.622  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.635   1.068   3.497  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.294   4.280   0.764  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.075  -6.385   0.997  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.595  -6.382   0.680  1.00  0.00           H  
HETATM   43  H   UNL     1       2.273  -1.290  -1.692  1.00  0.00           H  
HETATM   44  H   UNL     1       2.072   0.478  -1.715  1.00  0.00           H  
HETATM   45  H   UNL     1       2.050   1.705   0.086  1.00  0.00           H  
HETATM   46  H   UNL     1       1.506   0.811   1.532  1.00  0.00           H  
HETATM   47  H   UNL     1       5.626   0.722   1.072  1.00  0.00           H  
HETATM   48  H   UNL     1       4.682  -0.462   2.036  1.00  0.00           H  
HETATM   49  H   UNL     1       4.361   0.268  -0.928  1.00  0.00           H  
HETATM   50  H   UNL     1       6.184  -2.910  -0.449  1.00  0.00           H  
HETATM   51  H   UNL     1       0.575  -2.276   0.270  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.461   0.523  -1.896  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3    1                                                 
CONECT    3    5    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    6   10    3                                       
CONECT    6    7   24    5    5                                       
CONECT    7    8    6   51                                            
CONECT    8   19    7    9    9                                       
CONECT    9    8    8   10                                            
CONECT   10    9    5   11   52                                       
CONECT   11   10   12   16   16                                       
CONECT   12   13   13   11   38                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   18   15   15                                       
CONECT   15   14   14   16   40                                       
CONECT   16   11   11   15   17                                       
CONECT   17   16                                                      
CONECT   18   14                                                      
CONECT   19   20   20   23    8                                       
CONECT   20   21   19   19                                            
CONECT   21   22   22   20   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   19                                                 
CONECT   24   25    6   43   44                                       
CONECT   25   29   26   24                                            
CONECT   26   27   25   45   46                                       
CONECT   27   33   28   34   26                                       
CONECT   28   27   29   47   48                                       
CONECT   29   28   30   25   49                                       
CONECT   30   32   32   31   29                                       
CONECT   31   30   50                                                 
CONECT   32   30   30                                                 
CONECT   33   27                                                      
CONECT   34   27                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   31                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
