COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.718  -3.870   3.823  1.00  0.00           O  
HETATM    2  C   UNL     1       2.894  -3.194   4.866  1.00  0.00           C  
HETATM    3  N   UNL     1       1.169  -0.185   6.069  1.00  0.00           N  
HETATM    4  C   UNL     1       1.805  -1.340   6.280  1.00  0.00           C  
HETATM    5  C   UNL     1       1.478  -8.578   9.888  1.00  0.00           C  
HETATM    6  C   UNL     1       2.764  -8.226  10.297  1.00  0.00           C  
HETATM    7  C   UNL     1       3.481  -7.260   9.591  1.00  0.00           C  
HETATM    8  C   UNL     1       2.908  -6.650   8.480  1.00  0.00           C  
HETATM    9  C   UNL     1       1.625  -6.997   8.067  1.00  0.00           C  
HETATM   10  C   UNL     1       0.908  -7.963   8.773  1.00  0.00           C  
HETATM   11  C   UNL     1       1.756  -1.100   4.118  1.00  0.00           C  
HETATM   12  C   UNL     1       1.800  -1.079   2.676  1.00  0.00           C  
HETATM   13  C   UNL     1       0.766  -1.656   1.938  1.00  0.00           C  
HETATM   14  C   UNL     1       0.808  -1.634   0.544  1.00  0.00           C  
HETATM   15  C   UNL     1       1.884  -1.036  -0.112  1.00  0.00           C  
HETATM   16  C   UNL     1       2.918  -0.459   0.626  1.00  0.00           C  
HETATM   17  C   UNL     1       2.875  -0.480   2.020  1.00  0.00           C  
HETATM   18  N   UNL     1       3.804  -3.615   5.856  1.00  0.00           N  
HETATM   19  C   UNL     1       4.597  -4.821   5.774  1.00  0.00           C  
HETATM   20  C   UNL     1       3.832  -5.976   6.395  1.00  0.00           C  
HETATM   21  C   UNL     1       2.432  -2.740  10.218  1.00  0.00           C  
HETATM   22  C   UNL     1       1.275  -3.097   9.526  1.00  0.00           C  
HETATM   23  C   UNL     1       1.068  -2.635   8.227  1.00  0.00           C  
HETATM   24  C   UNL     1       3.383  -1.921   9.609  1.00  0.00           C  
HETATM   25  C   UNL     1       3.177  -1.459   8.309  1.00  0.00           C  
HETATM   26  O   UNL     1       5.588  -3.566   9.461  1.00  0.00           O  
HETATM   27  C   UNL     1       5.726  -2.537  10.110  1.00  0.00           C  
HETATM   28  O   UNL     1       6.887  -2.192  10.720  1.00  0.00           O  
HETATM   29  C   UNL     1       4.621  -1.539  10.349  1.00  0.00           C  
HETATM   30  C   UNL     1       2.020  -1.817   7.621  1.00  0.00           C  
HETATM   31  O   UNL     1       1.141  -0.037   4.688  1.00  0.00           O  
HETATM   32  C   UNL     1       2.198  -1.960   5.081  1.00  0.00           C  
HETATM   33  O   UNL     1       3.588  -5.697   7.768  1.00  0.00           O  
HETATM   34 CL   UNL     1       0.593  -9.771  10.757  1.00  0.00          Cl  
HETATM   35 CL   UNL     1       5.070  -6.843  10.119  1.00  0.00          Cl  
HETATM   36  H   UNL     1       3.966  -3.010   6.654  1.00  0.00           H  
HETATM   37  H   UNL     1       3.208  -8.707  11.167  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.093  -8.227   8.442  1.00  0.00           H  
HETATM   39  H   UNL     1       1.175  -6.522   7.199  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.079  -2.126   2.435  1.00  0.00           H  
HETATM   41  H   UNL     1       3.689  -0.026   2.580  1.00  0.00           H  
HETATM   42  H   UNL     1       0.004  -2.085  -0.030  1.00  0.00           H  
HETATM   43  H   UNL     1       1.917  -1.019  -1.198  1.00  0.00           H  
HETATM   44  H   UNL     1       3.755   0.008   0.115  1.00  0.00           H  
HETATM   45  H   UNL     1       5.543  -4.646   6.296  1.00  0.00           H  
HETATM   46  H   UNL     1       4.802  -5.024   4.719  1.00  0.00           H  
HETATM   47  H   UNL     1       4.426  -6.893   6.337  1.00  0.00           H  
HETATM   48  H   UNL     1       2.873  -6.140   5.893  1.00  0.00           H  
HETATM   49  H   UNL     1       2.585  -3.104  11.230  1.00  0.00           H  
HETATM   50  H   UNL     1       0.534  -3.735  10.000  1.00  0.00           H  
HETATM   51  H   UNL     1       0.160  -2.923   7.701  1.00  0.00           H  
HETATM   52  H   UNL     1       3.922  -0.820   7.840  1.00  0.00           H  
HETATM   53  H   UNL     1       4.439  -1.439  11.426  1.00  0.00           H  
HETATM   54  H   UNL     1       4.985  -0.554  10.029  1.00  0.00           H  
HETATM   55  H   UNL     1       7.625  -2.828  10.608  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   18   32                                       
CONECT    3    4    4   31                                            
CONECT    4    3    3   30   32                                       
CONECT    5    6    6   10   34                                       
CONECT    6    5    5    7   37                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   39                                       
CONECT   10    5    9    9   38                                       
CONECT   11   12   31   32   32                                       
CONECT   12   11   13   17   17                                       
CONECT   13   12   14   14   40                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17   44                                       
CONECT   17   12   12   16   41                                       
CONECT   18    2   19   36                                            
CONECT   19   18   20   45   46                                       
CONECT   20   19   33   47   48                                       
CONECT   21   22   22   24   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   30   30   51                                       
CONECT   24   21   25   25   29                                       
CONECT   25   24   24   30   52                                       
CONECT   26   27   27                                                 
CONECT   27   26   26   28   29                                       
CONECT   28   27   55                                                 
CONECT   29   24   27   53   54                                       
CONECT   30    4   23   23   25                                       
CONECT   31    3   11                                                 
CONECT   32    2    4   11   11                                       
CONECT   33    8   20                                                 
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   18                                                      
CONECT   37    6                                                      
CONECT   38   10                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
