COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.419  -3.154   0.487  1.00  0.00           C  
HETATM    2  C   UNL     1       0.932   0.004  -2.545  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.207  -1.091  -0.046  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.512  -1.467   0.270  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.859  -2.801   0.247  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.922  -3.769  -0.088  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.030   1.898  -0.367  1.00  0.00           C  
HETATM    8  C   UNL     1       3.003  -0.826  -0.235  1.00  0.00           C  
HETATM    9  C   UNL     1       3.876  -1.817   0.258  1.00  0.00           C  
HETATM   10  C   UNL     1       5.212  -1.452   0.521  1.00  0.00           C  
HETATM   11  N   UNL     1       5.591  -0.199   0.295  1.00  0.00           N  
HETATM   12  C   UNL     1       4.735   0.700  -0.170  1.00  0.00           C  
HETATM   13  N   UNL     1       3.472   0.400  -0.437  1.00  0.00           N  
HETATM   14  N   UNL     1       6.111  -2.380   1.006  1.00  0.00           N  
HETATM   15  N   UNL     1       5.176   1.990  -0.390  1.00  0.00           N  
HETATM   16  N   UNL     1       1.684  -1.127  -0.511  1.00  0.00           N  
HETATM   17  N   UNL     1       3.056  -4.216   0.668  1.00  0.00           N  
HETATM   18  C   UNL     1       0.788  -0.089  -1.024  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.636  -0.437  -0.674  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.490   0.575  -0.359  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.778   0.314  -0.038  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.249  -2.075  -0.382  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.985  -1.687  -0.685  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.628  -3.419  -0.403  1.00  0.00           C  
HETATM   25 CL   UNL     1      -5.691  -0.263   0.690  1.00  0.00          Cl  
HETATM   26  O   UNL     1      -3.553   1.209   0.246  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.123   2.669  -1.518  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.697   3.917  -1.529  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.170   4.481  -0.460  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.044   3.777   0.726  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.479   2.461   0.781  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.364   1.662   2.054  1.00  0.00           C  
HETATM   33  F   UNL     1       0.498   4.364   1.815  1.00  0.00           F  
HETATM   34  H   UNL     1       1.936   0.346  -2.794  1.00  0.00           H  
HETATM   35  H   UNL     1       0.762  -0.978  -2.986  1.00  0.00           H  
HETATM   36  H   UNL     1       0.199   0.710  -2.936  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.869  -3.096   0.491  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.211  -4.809  -0.101  1.00  0.00           H  
HETATM   39  H   UNL     1       5.825  -3.293   1.169  1.00  0.00           H  
HETATM   40  H   UNL     1       7.028  -2.120   1.184  1.00  0.00           H  
HETATM   41  H   UNL     1       6.098   2.226  -0.204  1.00  0.00           H  
HETATM   42  H   UNL     1       4.563   2.660  -0.730  1.00  0.00           H  
HETATM   43  H   UNL     1       1.352  -2.027  -0.365  1.00  0.00           H  
HETATM   44  H   UNL     1       1.048   0.870  -0.576  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.906  -4.181  -0.657  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.549   2.242  -2.414  1.00  0.00           H  
HETATM   47  H   UNL     1       0.167   5.505  -0.510  1.00  0.00           H  
HETATM   48  H   UNL     1       0.595   1.145   2.073  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.432   2.332   2.911  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.171   0.932   2.099  1.00  0.00           H  
CONECT    1    9   17   17   17                                       
CONECT    2   18   34   35   36                                       
CONECT    3   21   22   22    4                                       
CONECT    4    3   25    5    5                                       
CONECT    5    4    4    6   37                                       
CONECT    6   24   24    5   38                                       
CONECT    7   27   27   31   20                                       
CONECT    8    9    9   13   16                                       
CONECT    9   10    1    8    8                                       
CONECT   10   14   11   11    9                                       
CONECT   11   10   10   12                                            
CONECT   12   11   15   13   13                                       
CONECT   13   12   12    8                                            
CONECT   14   10   39   40                                            
CONECT   15   12   41   42                                            
CONECT   16    8   18   43                                            
CONECT   17    1    1    1                                            
CONECT   18   16    2   19   44                                       
CONECT   19   18   20   23   23                                       
CONECT   20    7   19   21                                            
CONECT   21   20   26   26    3                                       
CONECT   22   23    3    3   24                                       
CONECT   23   19   19   22                                            
CONECT   24   22    6    6   45                                       
CONECT   25    4                                                      
CONECT   26   21   21                                                 
CONECT   27   28    7    7   46                                       
CONECT   28   29   29   27                                            
CONECT   29   28   28   30   47                                       
CONECT   30   29   33   31   31                                       
CONECT   31   30   30    7   32                                       
CONECT   32   31   48   49   50                                       
CONECT   33   30                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   32                                                      
CONECT   49   32                                                      
CONECT   50   32                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
