COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.803   0.675  -2.555  1.00  0.00           C  
HETATM    2  C   UNL     1       3.189   1.268  -1.314  1.00  0.00           C  
HETATM    3  C   UNL     1       3.445   2.584  -0.977  1.00  0.00           C  
HETATM    4  C   UNL     1       2.885   3.136   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1       2.064   2.376   0.972  1.00  0.00           C  
HETATM    6  C   UNL     1       1.799   1.049   0.641  1.00  0.00           C  
HETATM    7  C   UNL     1       2.362   0.496  -0.513  1.00  0.00           C  
HETATM    8  C   UNL     1       4.080  -2.207  -1.146  1.00  0.00           C  
HETATM    9  C   UNL     1       0.919   0.228   1.507  1.00  0.00           C  
HETATM   10  C   UNL     1       1.305  -0.108   2.802  1.00  0.00           C  
HETATM   11  C   UNL     1       0.455  -0.876   3.578  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.133  -1.003   1.879  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.519  -0.946  -0.004  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.732  -0.813   1.102  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.375   1.263   0.025  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.762   1.896  -1.240  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.678   0.918  -1.637  1.00  0.00           C  
HETATM   18  O   UNL     1       2.105  -0.796  -0.846  1.00  0.00           O  
HETATM   19  C   UNL     1       2.911  -1.799  -0.225  1.00  0.00           C  
HETATM   20  N   UNL     1       4.246  -3.667  -1.020  1.00  0.00           N  
HETATM   21  C   UNL     1       3.252  -4.172  -0.048  1.00  0.00           C  
HETATM   22  C   UNL     1       2.115  -3.121  -0.064  1.00  0.00           C  
HETATM   23  F   UNL     1       1.258  -3.325  -1.151  1.00  0.00           F  
HETATM   24  N   UNL     1      -0.700  -1.293   3.121  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.376  -1.386   1.232  1.00  0.00           C  
HETATM   26  S   UNL     1      -1.134   0.005  -0.506  1.00  0.00           S  
HETATM   27  C   UNL     1      -0.332  -0.227   1.040  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.722  -1.218  -0.869  1.00  0.00           C  
HETATM   29  N   UNL     1      -4.661  -0.098  -0.765  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.574  -0.007   0.211  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.942   1.035  -2.592  1.00  0.00           O  
HETATM   32 CL   UNL     1       3.215   4.790   0.575  1.00  0.00          Cl  
HETATM   33  H   UNL     1       4.768   0.233  -2.307  1.00  0.00           H  
HETATM   34  H   UNL     1       3.142  -0.094  -2.955  1.00  0.00           H  
HETATM   35  H   UNL     1       3.943   1.458  -3.301  1.00  0.00           H  
HETATM   36  H   UNL     1       4.087   3.184  -1.606  1.00  0.00           H  
HETATM   37  H   UNL     1       1.629   2.810   1.860  1.00  0.00           H  
HETATM   38  H   UNL     1       3.846  -1.949  -2.179  1.00  0.00           H  
HETATM   39  H   UNL     1       4.994  -1.702  -0.835  1.00  0.00           H  
HETATM   40  H   UNL     1       2.254   0.226   3.195  1.00  0.00           H  
HETATM   41  H   UNL     1       0.751  -1.139   4.583  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.251   1.924   0.883  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.510   1.980  -2.028  1.00  0.00           H  
HETATM   44  H   UNL     1       3.283  -1.450   0.738  1.00  0.00           H  
HETATM   45  H   UNL     1       5.184  -3.900  -0.732  1.00  0.00           H  
HETATM   46  H   UNL     1       2.875  -5.144  -0.363  1.00  0.00           H  
HETATM   47  H   UNL     1       3.694  -4.240   0.946  1.00  0.00           H  
HETATM   48  H   UNL     1       1.561  -3.131   0.875  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.127  -1.985   1.725  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.406  -1.331  -1.906  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.210  -2.134  -0.536  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.428   1.033  -0.133  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.332   2.872  -1.012  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   36                                       
CONECT    4    3   32    5    5                                       
CONECT    5    4    4    6   37                                       
CONECT    6    7    7    5    9                                       
CONECT    7    2   18    6    6                                       
CONECT    8   19   20   38   39                                       
CONECT    9    6   10   10   27                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   24   24   41                                       
CONECT   12   27   27   24   25                                       
CONECT   13   26   25   25   28                                       
CONECT   14   30   30                                                 
CONECT   15   30   16   42   52                                       
CONECT   16   15   17   43   53                                       
CONECT   17   16   29   31   31                                       
CONECT   18    7   19                                                 
CONECT   19   22   18    8   44                                       
CONECT   20   21    8   45                                            
CONECT   21   22   20   46   47                                       
CONECT   22   23   21   19   48                                       
CONECT   23   22                                                      
CONECT   24   11   11   12                                            
CONECT   25   12   13   13   49                                       
CONECT   26   27   13                                                 
CONECT   27    9   26   12   12                                       
CONECT   28   13   29   50   51                                       
CONECT   29   30   28   17                                            
CONECT   30   14   14   15   29                                       
CONECT   31   17   17                                                 
CONECT   32    4                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
