COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.692  -0.952   0.475  1.00  0.00           C  
HETATM    2 CL   UNL     1      11.327   2.847  -0.771  1.00  0.00          Cl  
HETATM    3  C   UNL     1       0.142  -1.236   1.726  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.367  -0.440   2.056  1.00  0.00           O  
HETATM    5  C   UNL     1       1.526  -1.672   1.320  1.00  0.00           C  
HETATM    6  C   UNL     1       2.598  -0.873   1.122  1.00  0.00           C  
HETATM    7  C   UNL     1       3.636  -1.776   0.758  1.00  0.00           C  
HETATM    8  C   UNL     1       5.041  -1.433   0.426  1.00  0.00           C  
HETATM    9  C   UNL     1       5.943  -2.440   0.087  1.00  0.00           C  
HETATM   10  C   UNL     1       7.248  -2.122  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1       7.666  -0.792  -0.192  1.00  0.00           C  
HETATM   12  C   UNL     1       6.764   0.216   0.147  1.00  0.00           C  
HETATM   13  C   UNL     1       5.458  -0.102   0.450  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.076  -0.516   0.882  1.00  0.00           C  
HETATM   15  N   UNL     1       3.101  -2.971   0.774  1.00  0.00           N  
HETATM   16  O   UNL     1       1.934  -2.928   1.089  1.00  0.00           O  
HETATM   17  C   UNL     1       9.071  -0.449  -0.523  1.00  0.00           C  
HETATM   18  C   UNL     1       9.491   0.879  -0.496  1.00  0.00           C  
HETATM   19  C   UNL     1      10.801   1.193  -0.804  1.00  0.00           C  
HETATM   20  C   UNL     1      11.694   0.190  -1.140  1.00  0.00           C  
HETATM   21  C   UNL     1      11.281  -1.130  -1.168  1.00  0.00           C  
HETATM   22  C   UNL     1       9.976  -1.454  -0.857  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.990  -0.211  -0.060  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.336   0.213   0.335  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.305  -0.092  -0.778  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.911  -0.612  -1.800  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.335   1.717   0.613  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.446   2.012   1.823  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.446   3.494   2.098  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.091   4.238   1.397  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.730   3.987   3.120  1.00  0.00           O  
HETATM   32  N   UNL     1      -6.610   0.213  -0.637  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.553  -0.083  -1.718  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.545   1.047  -2.715  1.00  0.00           C  
HETATM   35  O   UNL     1      -6.823   2.006  -2.539  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.960  -0.242  -1.139  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.999  -1.466  -0.222  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.385  -1.623   0.349  1.00  0.00           C  
HETATM   39  O   UNL     1     -11.253  -0.837   0.052  1.00  0.00           O  
HETATM   40  O   UNL     1     -10.655  -2.637   1.186  1.00  0.00           O  
HETATM   41  N   UNL     1      -8.340   0.993  -3.802  1.00  0.00           N  
HETATM   42  H   UNL     1      -0.217  -0.161  -0.106  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.759  -1.856  -0.130  1.00  0.00           H  
HETATM   44  H   UNL     1       0.209  -0.332   2.331  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.333  -2.028   2.307  1.00  0.00           H  
HETATM   46  H   UNL     1       2.655   0.201   1.218  1.00  0.00           H  
HETATM   47  H   UNL     1       5.619  -3.470   0.065  1.00  0.00           H  
HETATM   48  H   UNL     1       7.947  -2.902  -0.483  1.00  0.00           H  
HETATM   49  H   UNL     1       7.087   1.246   0.169  1.00  0.00           H  
HETATM   50  H   UNL     1       4.759   0.678   0.712  1.00  0.00           H  
HETATM   51  H   UNL     1       8.794   1.662  -0.234  1.00  0.00           H  
HETATM   52  H   UNL     1      12.717   0.439  -1.380  1.00  0.00           H  
HETATM   53  H   UNL     1      11.982  -1.908  -1.431  1.00  0.00           H  
HETATM   54  H   UNL     1       9.655  -2.486  -0.879  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.757  -0.271  -1.000  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.635  -0.323   1.235  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.951   2.248  -0.258  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.353   2.049   0.821  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.831   1.481   2.694  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.429   1.681   1.616  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.761   4.944   3.257  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.926   0.629   0.181  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.258  -1.007  -2.215  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.221   0.649  -0.567  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.675  -0.374  -1.951  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.738  -2.357  -0.794  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.284  -1.334   0.590  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.558  -2.696   1.526  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.918   0.226  -3.942  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.335   1.720  -4.444  1.00  0.00           H  
CONECT    1   14    3   42   43                                       
CONECT    2   19                                                      
CONECT    3    1    5   44   45                                       
CONECT    4   14   14                                                 
CONECT    5    3    6    6   16                                       
CONECT    6    5    5    7   46                                       
CONECT    7    6    8   15   15                                       
CONECT    8   13    7    9    9                                       
CONECT    9    8    8   10   47                                       
CONECT   10   11   11    9   48                                       
CONECT   11   12   17   10   10                                       
CONECT   12   13   13   11   49                                       
CONECT   13   12   12    8   50                                       
CONECT   14    1    4    4   23                                       
CONECT   15    7    7   16                                            
CONECT   16    5   15                                                 
CONECT   17   22   11   18   18                                       
CONECT   18   17   17   19   51                                       
CONECT   19   20   20   18    2                                       
CONECT   20   21   19   19   52                                       
CONECT   21   22   22   20   53                                       
CONECT   22   21   21   17   54                                       
CONECT   23   14   24   55                                            
CONECT   24   23   27   25   56                                       
CONECT   25   24   26   26   32                                       
CONECT   26   25   25                                                 
CONECT   27   28   24   57   58                                       
CONECT   28   29   27   59   60                                       
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   61                                                 
CONECT   32   25   33   62                                            
CONECT   33   32   34   36   63                                       
CONECT   34   35   35   33   41                                       
CONECT   35   34   34                                                 
CONECT   36   33   37   64   65                                       
CONECT   37   36   38   66   67                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   68                                                 
CONECT   41   34   69   70                                            
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
