COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -4.015   0.661   4.760  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -3.068   0.609   3.306  1.00  0.00           C  
HETATM    3 CL   UNL     1      -6.874  -2.797  -0.460  1.00  0.00          Cl  
HETATM    4  C   UNL     1      -1.713   0.367   3.382  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.950   0.324   2.218  1.00  0.00           C  
HETATM    6  N   UNL     1       0.389   0.109   1.987  1.00  0.00           N  
HETATM    7  C   UNL     1       0.655   0.169   0.632  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.529   0.427  -0.046  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.579   0.530   0.977  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.953   0.774   0.923  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.684   0.807   2.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.697   0.570  -1.499  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.981  -0.430  -2.403  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.050   0.139  -3.625  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.827   1.420  -3.525  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.610   1.742  -2.237  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.320   3.094  -1.707  1.00  0.00           C  
HETATM   18  C   UNL     1       0.438   3.993  -2.458  1.00  0.00           C  
HETATM   19  C   UNL     1       0.704   5.251  -1.958  1.00  0.00           C  
HETATM   20  C   UNL     1       0.220   5.622  -0.716  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.532   4.735   0.033  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.810   3.476  -0.458  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.171  -1.850  -2.094  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.602  -2.087  -1.684  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.966  -1.982  -0.355  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.278  -2.200   0.022  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.227  -2.523  -0.932  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.861  -2.629  -2.262  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.550  -2.405  -2.638  1.00  0.00           C  
HETATM   30  C   UNL     1       1.968  -0.012   0.014  1.00  0.00           C  
HETATM   31  O   UNL     1       2.087   0.062  -1.196  1.00  0.00           O  
HETATM   32  N   UNL     1       3.047  -0.260   0.783  1.00  0.00           N  
HETATM   33  C   UNL     1       4.362  -0.440   0.163  1.00  0.00           C  
HETATM   34  C   UNL     1       5.405  -0.707   1.250  1.00  0.00           C  
HETATM   35  N   UNL     1       6.724  -0.888   0.629  1.00  0.00           N  
HETATM   36  C   UNL     1       6.759  -2.110  -0.187  1.00  0.00           C  
HETATM   37  C   UNL     1       8.128  -2.228  -0.862  1.00  0.00           C  
HETATM   38  O   UNL     1       9.150  -2.216   0.139  1.00  0.00           O  
HETATM   39  C   UNL     1       9.146  -1.040   0.952  1.00  0.00           C  
HETATM   40  C   UNL     1       7.786  -0.910   1.645  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.244   0.211   4.343  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.437   0.933  -0.030  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.746   0.995   2.033  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.257  -0.387  -4.545  1.00  0.00           H  
HETATM   45  H   UNL     1       0.817   3.704  -3.427  1.00  0.00           H  
HETATM   46  H   UNL     1       1.291   5.948  -2.538  1.00  0.00           H  
HETATM   47  H   UNL     1       0.431   6.608  -0.330  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.906   5.030   1.002  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.397   2.784   0.127  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.942  -2.447  -2.977  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.507  -2.137  -1.279  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.225  -1.730   0.389  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.562  -2.118   1.060  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.601  -2.882  -3.007  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.266  -2.483  -3.677  1.00  0.00           H  
HETATM   56  H   UNL     1       2.952  -0.319   1.746  1.00  0.00           H  
HETATM   57  H   UNL     1       4.328  -1.287  -0.523  1.00  0.00           H  
HETATM   58  H   UNL     1       4.632   0.462  -0.386  1.00  0.00           H  
HETATM   59  H   UNL     1       5.440   0.139   1.936  1.00  0.00           H  
HETATM   60  H   UNL     1       5.135  -1.609   1.799  1.00  0.00           H  
HETATM   61  H   UNL     1       6.591  -2.978   0.450  1.00  0.00           H  
HETATM   62  H   UNL     1       5.980  -2.062  -0.948  1.00  0.00           H  
HETATM   63  H   UNL     1       8.179  -3.162  -1.422  1.00  0.00           H  
HETATM   64  H   UNL     1       8.273  -1.387  -1.540  1.00  0.00           H  
HETATM   65  H   UNL     1       9.932  -1.114   1.704  1.00  0.00           H  
HETATM   66  H   UNL     1       9.320  -0.164   0.327  1.00  0.00           H  
HETATM   67  H   UNL     1       7.759   0.015   2.221  1.00  0.00           H  
HETATM   68  H   UNL     1       7.635  -1.759   2.312  1.00  0.00           H  
HETATM   69  H   UNL     1       1.051  -0.059   2.676  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1   11   11    4                                       
CONECT    3   27                                                      
CONECT    4    2    5    5   41                                       
CONECT    5    4    4    9    6                                       
CONECT    6    5    7   69                                            
CONECT    7    6    8    8   30                                       
CONECT    8    7    7   12    9                                       
CONECT    9    5    8   10   10                                       
CONECT   10    9    9   11   42                                       
CONECT   11    2    2   10   43                                       
CONECT   12    8   16   16   13                                       
CONECT   13   12   14   23                                            
CONECT   14   13   15   15   44                                       
CONECT   15   14   14   16                                            
CONECT   16   12   12   15   17                                       
CONECT   17   16   22   22   18                                       
CONECT   18   17   19   19   45                                       
CONECT   19   18   18   20   46                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   22   48                                       
CONECT   22   17   17   21   49                                       
CONECT   23   13   24   50   51                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   52                                       
CONECT   26   25   27   27   53                                       
CONECT   27    3   26   26   28                                       
CONECT   28   27   29   29   54                                       
CONECT   29   24   28   28   55                                       
CONECT   30    7   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   56                                            
CONECT   33   32   34   57   58                                       
CONECT   34   33   35   59   60                                       
CONECT   35   34   36   40                                            
CONECT   36   35   37   61   62                                       
CONECT   37   36   38   63   64                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   65   66                                       
CONECT   40   35   39   67   68                                       
CONECT   41    4                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
CONECT   68   40                                                      
CONECT   69    6                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
