COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.534   2.337   1.717  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.426   1.047   1.030  1.00  0.00           N  
HETATM    3  O   UNL     1       1.163   3.562  -0.277  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.201   0.617   0.554  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.966  -2.233  -1.170  1.00  0.00           N  
HETATM    6  O   UNL     1       4.869   0.387  -1.981  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.079  -0.615  -0.106  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.775  -0.201  -0.370  1.00  0.00           N  
HETATM    9  O   UNL     1       6.410  -2.153   1.740  1.00  0.00           O  
HETATM   10  C   UNL     1      -5.004  -1.690  -0.468  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.828   1.770   0.437  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.280  -2.628  -1.102  1.00  0.00           C  
HETATM   13  N   UNL     1       4.909  -1.030  -0.271  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.813  -1.012  -0.573  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.112   1.363   0.707  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.934   0.954   0.252  1.00  0.00           C  
HETATM   17  C   UNL     1       0.440   1.315   0.080  1.00  0.00           C  
HETATM   18  C   UNL     1       0.713  -0.048   0.074  1.00  0.00           C  
HETATM   19  C   UNL     1       1.965  -0.501  -0.278  1.00  0.00           C  
HETATM   20  C   UNL     1       2.965   0.409  -0.630  1.00  0.00           C  
HETATM   21  C   UNL     1       2.691   1.780  -0.626  1.00  0.00           C  
HETATM   22  C   UNL     1       1.433   2.229  -0.277  1.00  0.00           C  
HETATM   23  C   UNL     1       2.226   4.440  -0.653  1.00  0.00           C  
HETATM   24  C   UNL     1       4.306  -0.075  -1.007  1.00  0.00           C  
HETATM   25  C   UNL     1       6.282  -1.466  -0.572  1.00  0.00           C  
HETATM   26  C   UNL     1       7.099  -1.421   0.724  1.00  0.00           C  
HETATM   27  C   UNL     1       5.131  -1.613   2.085  1.00  0.00           C  
HETATM   28  C   UNL     1       4.213  -1.668   0.858  1.00  0.00           C  
HETATM   29 CL   UNL     1      -6.708  -1.743  -0.142  1.00  0.00          Cl  
HETATM   30  H   UNL     1      -5.217   3.134   1.045  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.568   2.503   2.017  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.895   2.332   2.601  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.214   0.495   0.909  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.252  -2.744  -1.582  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.938   2.657   0.814  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.672  -3.553  -1.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.058  -0.753   0.347  1.00  0.00           H  
HETATM   38  H   UNL     1       2.174  -1.561  -0.281  1.00  0.00           H  
HETATM   39  H   UNL     1       3.462   2.487  -0.898  1.00  0.00           H  
HETATM   40  H   UNL     1       2.547   4.207  -1.668  1.00  0.00           H  
HETATM   41  H   UNL     1       1.877   5.472  -0.610  1.00  0.00           H  
HETATM   42  H   UNL     1       3.063   4.311   0.032  1.00  0.00           H  
HETATM   43  H   UNL     1       6.266  -2.484  -0.962  1.00  0.00           H  
HETATM   44  H   UNL     1       6.725  -0.797  -1.310  1.00  0.00           H  
HETATM   45  H   UNL     1       7.222  -0.386   1.041  1.00  0.00           H  
HETATM   46  H   UNL     1       8.078  -1.870   0.553  1.00  0.00           H  
HETATM   47  H   UNL     1       4.695  -2.200   2.893  1.00  0.00           H  
HETATM   48  H   UNL     1       5.248  -0.578   2.407  1.00  0.00           H  
HETATM   49  H   UNL     1       3.287  -1.133   1.069  1.00  0.00           H  
HETATM   50  H   UNL     1       3.990  -2.706   0.613  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    4   33                                            
CONECT    3   22   23                                                 
CONECT    4    2    7    7   15                                       
CONECT    5   12   14   34                                            
CONECT    6   24   24                                                 
CONECT    7   10    4    4   14                                       
CONECT    8   14   14   16                                            
CONECT    9   26   27                                                 
CONECT   10   29   12   12    7                                       
CONECT   11   16   17   35                                            
CONECT   12   10   10    5   36                                       
CONECT   13   24   25   28                                            
CONECT   14    7    5    8    8                                       
CONECT   15    4   16   16                                            
CONECT   16   15   15    8   11                                       
CONECT   17   18   11   22   22                                       
CONECT   18   19   19   17   37                                       
CONECT   19   18   18   20   38                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22   39                                       
CONECT   22   17   17   21    3                                       
CONECT   23    3   40   41   42                                       
CONECT   24    6    6   20   13                                       
CONECT   25   26   13   43   44                                       
CONECT   26   25    9   45   46                                       
CONECT   27    9   28   47   48                                       
CONECT   28   13   27   49   50                                       
CONECT   29   10                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
