COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.776  -0.458   0.645  1.00  0.00           C  
HETATM    2  C   UNL     1       0.794  -1.713   1.050  1.00  0.00           C  
HETATM    3  C   UNL     1       0.234  -3.734   2.213  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.123  -1.777   2.490  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.012  -1.575  -3.128  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.374  -1.306  -0.964  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.708  -1.204  -0.370  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.728  -3.167  -1.079  1.00  0.00           C  
HETATM    9 CL   UNL     1       5.359   0.781   1.712  1.00  0.00          Cl  
HETATM   10  C   UNL     1       5.568   1.545  -0.877  1.00  0.00           C  
HETATM   11  C   UNL     1       5.141   1.623  -2.195  1.00  0.00           C  
HETATM   12  C   UNL     1       3.960   1.034  -2.590  1.00  0.00           C  
HETATM   13  C   UNL     1       3.181   0.349  -1.656  1.00  0.00           C  
HETATM   14  C   UNL     1       3.618   0.271  -0.314  1.00  0.00           C  
HETATM   15  C   UNL     1       4.817   0.874   0.066  1.00  0.00           C  
HETATM   16  N   UNL     1       2.012  -0.245  -2.003  1.00  0.00           N  
HETATM   17  C   UNL     1       1.288  -0.882  -1.133  1.00  0.00           C  
HETATM   18  N   UNL     1       1.632  -1.008   0.177  1.00  0.00           N  
HETATM   19  O   UNL     1       3.099  -0.566   1.814  1.00  0.00           O  
HETATM   20  C   UNL     1       1.059  -3.043   1.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.856  -3.102   2.784  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.301  -1.081   1.625  1.00  0.00           C  
HETATM   23  C   UNL     1       0.002  -1.515  -1.599  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.133  -0.715  -1.131  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.471  -0.550  -0.515  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.786  -2.500  -0.662  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.550  -2.597  -1.230  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.824  -0.513   0.068  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.334   0.844  -0.214  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.222   1.986   0.032  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.085   3.379   0.333  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.934   4.129   0.226  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.236   5.388   0.603  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.591   5.431   0.951  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.106   4.241   0.788  1.00  0.00           C  
HETATM   36  H   UNL     1       0.439  -4.769   2.444  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.974  -1.286   2.937  1.00  0.00           H  
HETATM   38  H   UNL     1       0.029  -0.563  -3.532  1.00  0.00           H  
HETATM   39  H   UNL     1       0.851  -2.141  -3.477  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.927  -2.062  -3.464  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.832  -4.218  -1.306  1.00  0.00           H  
HETATM   42  H   UNL     1       6.497   2.013  -0.587  1.00  0.00           H  
HETATM   43  H   UNL     1       5.741   2.152  -2.920  1.00  0.00           H  
HETATM   44  H   UNL     1       3.638   1.101  -3.619  1.00  0.00           H  
HETATM   45  H   UNL     1       1.909  -3.537   0.901  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.499  -3.644   3.461  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.510  -0.046   1.396  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.074  -2.524  -1.195  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.015   0.228  -0.938  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.673  -0.973   0.165  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.758   0.432   0.278  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.967   3.774  -0.100  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.620   6.137   0.629  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.133   3.965   0.973  1.00  0.00           H  
CONECT    1   14   19   19   18                                       
CONECT    2   18   22   22   20                                       
CONECT    3   20   20   21   36                                       
CONECT    4   22   21   21   37                                       
CONECT    5   23   38   39   40                                       
CONECT    6   24   25   25   27                                       
CONECT    7   25   28   26   26                                       
CONECT    8   27   27   26   41                                       
CONECT    9   15                                                      
CONECT   10   11   11   15   42                                       
CONECT   11   10   10   12   43                                       
CONECT   12   11   13   13   44                                       
CONECT   13   12   12   14   16                                       
CONECT   14   15   15   13    1                                       
CONECT   15    9   10   14   14                                       
CONECT   16   13   17   17                                            
CONECT   17   16   16   18   23                                       
CONECT   18    1   17    2                                            
CONECT   19    1    1                                                 
CONECT   20    2    3    3   45                                       
CONECT   21    4    4    3   46                                       
CONECT   22    2    2    4   47                                       
CONECT   23   17    5   24   48                                       
CONECT   24   23    6   49                                            
CONECT   25   29    6    6    7                                       
CONECT   26    7    7    8                                            
CONECT   27    6    8    8                                            
CONECT   28    7   50   51                                            
CONECT   29   30   30   30   25                                       
CONECT   30   31   29   29   29                                       
CONECT   31   32   32   30   35                                       
CONECT   32   33   31   31   52                                       
CONECT   33   32   34   53                                            
CONECT   34   33   35   35                                            
CONECT   35   34   34   31   54                                       
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   35                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
