COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.397  -0.980  -0.849  1.00  0.00           O  
HETATM    2  C   UNL     1       1.311  -1.194  -0.347  1.00  0.00           C  
HETATM    3  N   UNL     1       0.673  -2.356  -0.591  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.534  -2.739   0.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.440  -4.196   0.520  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.221  -4.641   1.334  1.00  0.00           O  
HETATM    7  N   UNL     1       0.461  -5.021  -0.014  1.00  0.00           N  
HETATM    8  C   UNL     1       1.515  -4.612  -0.933  1.00  0.00           C  
HETATM    9  C   UNL     1       1.151  -3.291  -1.624  1.00  0.00           C  
HETATM   10  N   UNL     1       0.748  -0.273   0.460  1.00  0.00           N  
HETATM   11  C   UNL     1       1.231   0.995   0.697  1.00  0.00           C  
HETATM   12  C   UNL     1       2.465   1.515   0.075  1.00  0.00           C  
HETATM   13  C   UNL     1       2.420   2.663  -0.719  1.00  0.00           C  
HETATM   14  C   UNL     1       3.572   3.145  -1.298  1.00  0.00           C  
HETATM   15  C   UNL     1       3.687   0.861   0.282  1.00  0.00           C  
HETATM   16  O   UNL     1       3.740  -0.253   1.056  1.00  0.00           O  
HETATM   17  C   UNL     1       4.992  -0.939   1.122  1.00  0.00           C  
HETATM   18  C   UNL     1       5.780  -0.445   2.336  1.00  0.00           C  
HETATM   19  C   UNL     1       4.743  -2.443   1.252  1.00  0.00           C  
HETATM   20  C   UNL     1       4.840   1.354  -0.304  1.00  0.00           C  
HETATM   21  C   UNL     1       4.784   2.492  -1.095  1.00  0.00           C  
HETATM   22  O   UNL     1       5.916   2.973  -1.669  1.00  0.00           O  
HETATM   23  C   UNL     1       5.788   4.152  -2.466  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.493  -0.446   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.661  -0.697   0.316  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.639  -1.606   0.675  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.711  -1.837  -0.166  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.805  -1.159  -1.368  1.00  0.00           C  
HETATM   29 CL   UNL     1      -5.151  -1.448  -2.426  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -2.825  -0.250  -1.728  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.757  -0.016  -0.883  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.651   0.905   1.958  1.00  0.00           C  
HETATM   33  N   UNL     1       0.508   1.691   1.512  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.933   1.580   1.540  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.994   2.264   0.340  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.169   2.883  -0.043  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.283   2.818   0.774  1.00  0.00           C  
HETATM   38 CL   UNL     1      -5.759   3.595   0.293  1.00  0.00          Cl  
HETATM   39  C   UNL     1      -4.221   2.134   1.975  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.047   1.511   2.355  1.00  0.00           C  
HETATM   41  H   UNL     1      -0.604  -2.141   1.066  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.416  -2.569  -0.460  1.00  0.00           H  
HETATM   43  H   UNL     1       0.411  -5.960   0.226  1.00  0.00           H  
HETATM   44  H   UNL     1       2.445  -4.485  -0.379  1.00  0.00           H  
HETATM   45  H   UNL     1       1.651  -5.385  -1.689  1.00  0.00           H  
HETATM   46  H   UNL     1       0.364  -3.462  -2.358  1.00  0.00           H  
HETATM   47  H   UNL     1       2.031  -2.876  -2.116  1.00  0.00           H  
HETATM   48  H   UNL     1       1.481   3.173  -0.879  1.00  0.00           H  
HETATM   49  H   UNL     1       3.536   4.033  -1.911  1.00  0.00           H  
HETATM   50  H   UNL     1       5.562  -0.742   0.214  1.00  0.00           H  
HETATM   51  H   UNL     1       5.210  -0.642   3.244  1.00  0.00           H  
HETATM   52  H   UNL     1       6.736  -0.968   2.386  1.00  0.00           H  
HETATM   53  H   UNL     1       5.957   0.627   2.243  1.00  0.00           H  
HETATM   54  H   UNL     1       4.181  -2.795   0.387  1.00  0.00           H  
HETATM   55  H   UNL     1       5.699  -2.966   1.302  1.00  0.00           H  
HETATM   56  H   UNL     1       4.173  -2.640   2.160  1.00  0.00           H  
HETATM   57  H   UNL     1       5.783   0.853  -0.146  1.00  0.00           H  
HETATM   58  H   UNL     1       5.402   4.966  -1.853  1.00  0.00           H  
HETATM   59  H   UNL     1       6.765   4.429  -2.864  1.00  0.00           H  
HETATM   60  H   UNL     1       5.101   3.961  -3.290  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.387  -1.259   1.952  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.566  -2.135   1.614  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.475  -2.547   0.115  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.898   0.279  -2.666  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.995   0.697  -1.161  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.628   0.765   3.038  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.124   2.314  -0.298  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.217   3.417  -0.981  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.090   2.084   2.614  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.000   0.973   3.290  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    4    2    9                                            
CONECT    4    5    3   41   42                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   43                                            
CONECT    8    7    9   44   45                                       
CONECT    9    3    8   46   47                                       
CONECT   10    2   24   11                                            
CONECT   11   10   33   33   12                                       
CONECT   12   13   11   15   15                                       
CONECT   13   14   14   12   48                                       
CONECT   14   13   13   21   49                                       
CONECT   15   12   12   20   16                                       
CONECT   16   15   17                                                 
CONECT   17   18   16   19   50                                       
CONECT   18   17   51   52   53                                       
CONECT   19   17   54   55   56                                       
CONECT   20   21   21   15   57                                       
CONECT   21   14   22   20   20                                       
CONECT   22   23   21                                                 
CONECT   23   22   58   59   60                                       
CONECT   24   32   10   25   61                                       
CONECT   25   24   26   26   31                                       
CONECT   26   25   25   27   62                                       
CONECT   27   26   28   28   63                                       
CONECT   28   27   27   30   29                                       
CONECT   29   28                                                      
CONECT   30   31   31   28   64                                       
CONECT   31   25   30   30   65                                       
CONECT   32   24   33   34   66                                       
CONECT   33   32   11   11                                            
CONECT   34   32   35   35   40                                       
CONECT   35   34   34   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   39   38                                       
CONECT   38   37                                                      
CONECT   39   40   40   37   69                                       
CONECT   40   34   39   39   70                                       
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
