COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.915  -5.110  -0.317  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.009  -3.961   0.688  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.759  -2.722   0.021  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.805  -1.602   0.771  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.050  -1.676   1.961  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.567  -0.342   0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.553   0.255  -0.516  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.360   1.478  -1.100  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.319   2.273  -0.706  1.00  0.00           C  
HETATM   10  C   UNL     1       0.719   1.761  -0.021  1.00  0.00           C  
HETATM   11  C   UNL     1       0.780   0.304   0.334  1.00  0.00           C  
HETATM   12  C   UNL     1       1.765  -0.387  -0.574  1.00  0.00           C  
HETATM   13  C   UNL     1       1.567  -0.381  -1.942  1.00  0.00           C  
HETATM   14  C   UNL     1       2.470  -1.015  -2.774  1.00  0.00           C  
HETATM   15  C   UNL     1       3.572  -1.655  -2.239  1.00  0.00           C  
HETATM   16  C   UNL     1       3.772  -1.661  -0.872  1.00  0.00           C  
HETATM   17  C   UNL     1       2.871  -1.022  -0.038  1.00  0.00           C  
HETATM   18 CL   UNL     1       3.122  -1.029   1.679  1.00  0.00          Cl  
HETATM   19  C   UNL     1       1.774   2.614   0.377  1.00  0.00           C  
HETATM   20  O   UNL     1       1.736   3.799   0.100  1.00  0.00           O  
HETATM   21  O   UNL     1       2.822   2.115   1.064  1.00  0.00           O  
HETATM   22  C   UNL     1       3.852   3.034   1.435  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.335   3.742  -1.043  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.888  -0.431  -0.652  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.887   0.333   0.026  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.198  -0.234  -0.041  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.180   0.663   0.715  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.282   1.960   0.034  1.00  0.00           N  
HETATM   29  H   UNL     1      -1.105  -6.055   0.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.655  -4.966  -1.104  1.00  0.00           H  
HETATM   31  H   UNL     1       0.083  -5.129  -0.755  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.007  -3.942   1.127  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.269  -4.105   1.475  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.963   1.782  -1.796  1.00  0.00           H  
HETATM   35  H   UNL     1       1.111   0.200   1.367  1.00  0.00           H  
HETATM   36  H   UNL     1       0.706   0.119  -2.360  1.00  0.00           H  
HETATM   37  H   UNL     1       2.314  -1.010  -3.843  1.00  0.00           H  
HETATM   38  H   UNL     1       4.275  -2.154  -2.890  1.00  0.00           H  
HETATM   39  H   UNL     1       4.633  -2.162  -0.454  1.00  0.00           H  
HETATM   40  H   UNL     1       3.431   3.815   2.069  1.00  0.00           H  
HETATM   41  H   UNL     1       4.633   2.505   1.981  1.00  0.00           H  
HETATM   42  H   UNL     1       4.277   3.484   0.538  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.245   3.978  -1.595  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.307   4.326  -0.123  1.00  0.00           H  
HETATM   45  H   UNL     1       0.534   3.984  -1.654  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.148  -0.515  -1.707  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.831  -1.427  -0.212  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.506  -0.313  -1.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.188  -1.225   0.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.161   0.187   0.739  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.824   0.814   1.734  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.549   1.842  -0.932  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.926   2.571   0.514  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3    2    4                                                 
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6   11    4    7    7                                       
CONECT    7    6    6    8   24                                       
CONECT    8    9    7   34                                            
CONECT    9   10   10    8   23                                       
CONECT   10   11   19    9    9                                       
CONECT   11   12   10    6   35                                       
CONECT   12   17   17   13   11                                       
CONECT   13   14   14   12   36                                       
CONECT   14   15   13   13   37                                       
CONECT   15   16   16   14   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   18   12   12                                       
CONECT   18   17                                                      
CONECT   19   20   20   10   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22                                                 
CONECT   22   21   40   41   42                                       
CONECT   23    9   43   44   45                                       
CONECT   24    7   25   46   47                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   48   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   27   52   53                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
