COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.008  -2.769   1.882  1.00  0.00           C  
HETATM    2  C   UNL     1       6.534  -1.701   0.930  1.00  0.00           C  
HETATM    3  C   UNL     1       5.391  -1.024   1.175  1.00  0.00           C  
HETATM    4  N   UNL     1       4.976  -0.058   0.300  1.00  0.00           N  
HETATM    5  C   UNL     1       5.694   0.223  -0.803  1.00  0.00           C  
HETATM    6  O   UNL     1       5.306   1.086  -1.567  1.00  0.00           O  
HETATM    7  N   UNL     1       6.836  -0.436  -1.071  1.00  0.00           N  
HETATM    8  C   UNL     1       7.283  -1.391  -0.231  1.00  0.00           C  
HETATM    9  O   UNL     1       8.316  -1.988  -0.473  1.00  0.00           O  
HETATM   10  C   UNL     1       3.736   0.677   0.566  1.00  0.00           C  
HETATM   11  C   UNL     1       4.044   2.172   0.688  1.00  0.00           C  
HETATM   12  C   UNL     1       2.737   2.938   0.905  1.00  0.00           C  
HETATM   13  C   UNL     1       1.784   2.652  -0.257  1.00  0.00           C  
HETATM   14  N   UNL     1       1.520   1.209  -0.331  1.00  0.00           N  
HETATM   15  C   UNL     1       2.754   0.456  -0.587  1.00  0.00           C  
HETATM   16  C   UNL     1       0.501   0.912  -1.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.860   1.282  -0.818  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.494   2.422  -1.284  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.739   2.771  -0.807  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.369   1.973   0.152  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.728   0.819   0.624  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.473   0.478   0.128  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.844  -0.640   0.581  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.006  -1.832  -0.191  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.330   0.037   1.555  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.127  -0.974   1.120  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.764  -1.800   2.036  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.574  -2.826   1.592  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.753  -3.032   0.237  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.119  -2.210  -0.679  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.312  -1.177  -0.239  1.00  0.00           C  
HETATM   32 CL   UNL     1      -5.344  -2.471  -2.380  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -4.700   2.343   0.665  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.313   3.453   0.210  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.245   1.646   1.499  1.00  0.00           O  
HETATM   36  H   UNL     1       6.591  -3.731   1.586  1.00  0.00           H  
HETATM   37  H   UNL     1       8.096  -2.820   1.857  1.00  0.00           H  
HETATM   38  H   UNL     1       6.679  -2.526   2.893  1.00  0.00           H  
HETATM   39  H   UNL     1       4.809  -1.244   2.057  1.00  0.00           H  
HETATM   40  H   UNL     1       7.344  -0.218  -1.868  1.00  0.00           H  
HETATM   41  H   UNL     1       3.293   0.319   1.495  1.00  0.00           H  
HETATM   42  H   UNL     1       4.710   2.339   1.535  1.00  0.00           H  
HETATM   43  H   UNL     1       4.523   2.521  -0.227  1.00  0.00           H  
HETATM   44  H   UNL     1       2.278   2.617   1.840  1.00  0.00           H  
HETATM   45  H   UNL     1       2.945   4.007   0.950  1.00  0.00           H  
HETATM   46  H   UNL     1       0.846   3.185  -0.098  1.00  0.00           H  
HETATM   47  H   UNL     1       2.238   2.986  -1.190  1.00  0.00           H  
HETATM   48  H   UNL     1       3.204   0.801  -1.518  1.00  0.00           H  
HETATM   49  H   UNL     1       2.521  -0.606  -0.668  1.00  0.00           H  
HETATM   50  H   UNL     1       0.709   1.488  -2.249  1.00  0.00           H  
HETATM   51  H   UNL     1       0.523  -0.152  -1.583  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.010   3.041  -2.025  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.227   3.661  -1.174  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.047  -2.153  -0.149  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.728  -1.635  -1.226  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.367  -2.616   0.214  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.624  -1.640   3.095  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.069  -3.469   2.305  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.387  -3.835  -0.108  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.817  -0.536  -0.954  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.185   3.654   0.576  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    8    1    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4    5    3   10                                            
CONECT    5    7    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   40                                            
CONECT    8    9    9    7    2                                       
CONECT    9    8    8                                                 
CONECT   10    4   15   11   41                                       
CONECT   11   10   12   42   43                                       
CONECT   12   11   13   44   45                                       
CONECT   13   14   12   46   47                                       
CONECT   14   15   16   13                                            
CONECT   15   10   14   48   49                                       
CONECT   16   14   17   50   51                                       
CONECT   17   22   16   18   18                                       
CONECT   18   17   17   19   52                                       
CONECT   19   20   20   18   53                                       
CONECT   20   21   33   19   19                                       
CONECT   21   25   22   22   20                                       
CONECT   22   23   21   21   17                                       
CONECT   23   24   22                                                 
CONECT   24   23   54   55   56                                       
CONECT   25   26   21                                                 
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   57                                       
CONECT   28   29   27   27   58                                       
CONECT   29   30   30   28   59                                       
CONECT   30   32   29   29   31                                       
CONECT   31   30   26   26   60                                       
CONECT   32   30                                                      
CONECT   33   20   35   35   34                                       
CONECT   34   33   61                                                 
CONECT   35   33   33                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
