COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.552   0.965   0.105  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.350   1.518   0.520  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.214   0.736   0.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.263  -0.607   0.205  1.00  0.00           C  
HETATM    5  C   UNL     1       0.107  -0.812   0.094  1.00  0.00           C  
HETATM    6  N   UNL     1       1.214  -1.577   0.021  1.00  0.00           N  
HETATM    7  C   UNL     1       1.120  -3.045  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1       2.552  -0.968  -0.047  1.00  0.00           C  
HETATM    9  C   UNL     1       6.463   0.582   0.736  1.00  0.00           C  
HETATM   10  C   UNL     1       7.108   1.472   1.589  1.00  0.00           C  
HETATM   11  C   UNL     1       9.006   1.496   0.119  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.995   3.999  -0.809  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.683   3.136   0.415  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.727   3.397   1.502  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.715   1.722   0.036  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.100  -1.387   0.262  1.00  0.00           N  
HETATM   17  O   UNL     1       0.197   0.398   0.010  1.00  0.00           O  
HETATM   18  C   UNL     1       2.071  -3.606   1.061  1.00  0.00           C  
HETATM   19  O   UNL     1       3.374  -3.050   0.868  1.00  0.00           O  
HETATM   20  C   UNL     1       3.438  -1.631   1.014  1.00  0.00           C  
HETATM   21  C   UNL     1       4.864  -1.172   0.849  1.00  0.00           C  
HETATM   22  O   UNL     1       5.725  -1.967   0.538  1.00  0.00           O  
HETATM   23  N   UNL     1       5.182   0.123   1.047  1.00  0.00           N  
HETATM   24  C   UNL     1       8.370   1.928   1.286  1.00  0.00           C  
HETATM   25  C   UNL     1      10.320   1.968  -0.200  1.00  0.00           C  
HETATM   26  N   UNL     1      11.363   2.343  -0.453  1.00  0.00           N  
HETATM   27  C   UNL     1       8.352   0.609  -0.743  1.00  0.00           C  
HETATM   28 CL   UNL     1       9.136   0.068  -2.194  1.00  0.00          Cl  
HETATM   29  C   UNL     1       7.089   0.153  -0.429  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.455  -1.174  -0.211  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.605  -0.391  -0.264  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.900  -0.944  -0.700  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.000  -2.111  -1.029  1.00  0.00           O  
HETATM   34  N   UNL     1      -6.972  -0.123  -0.725  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.270  -0.649  -1.155  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.028  -1.190   0.058  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.340  -0.500   0.436  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.363  -1.892  -0.199  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.869   1.168  -0.374  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.864   1.865  -0.420  1.00  0.00           O  
HETATM   41  H   UNL     1      -3.303   2.559   0.803  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.280   1.170   0.892  1.00  0.00           H  
HETATM   43  H   UNL     1       0.098  -3.351   0.222  1.00  0.00           H  
HETATM   44  H   UNL     1       1.407  -3.417  -0.985  1.00  0.00           H  
HETATM   45  H   UNL     1       2.980  -1.130  -1.036  1.00  0.00           H  
HETATM   46  H   UNL     1       2.479   0.101   0.151  1.00  0.00           H  
HETATM   47  H   UNL     1       6.616   1.806   2.491  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.985   3.747  -1.189  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.971   5.052  -0.527  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.250   3.814  -1.584  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.692   3.389   0.795  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.717   3.145   1.123  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.505   2.782   2.375  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.703   4.450   1.784  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.164  -2.342   0.421  1.00  0.00           H  
HETATM   56  H   UNL     1       1.706  -3.341   2.054  1.00  0.00           H  
HETATM   57  H   UNL     1       2.120  -4.691   0.970  1.00  0.00           H  
HETATM   58  H   UNL     1       3.077  -1.350   2.003  1.00  0.00           H  
HETATM   59  H   UNL     1       4.521   0.735   1.406  1.00  0.00           H  
HETATM   60  H   UNL     1       8.869   2.619   1.949  1.00  0.00           H  
HETATM   61  H   UNL     1       6.582  -0.532  -1.093  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.493  -2.216  -0.494  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.849   0.149  -1.620  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.116  -1.452  -1.876  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.407  -1.571   0.869  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.583  -0.427   1.497  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.663   0.339  -0.179  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.701  -1.969  -1.232  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.621  -2.734   0.444  1.00  0.00           H  
CONECT    1    2   15   31   31                                       
CONECT    2    3    3    1   41                                       
CONECT    3    2    2    4   42                                       
CONECT    4    3   16   30   30                                       
CONECT    5   16    6   17   17                                       
CONECT    6    8    7    5                                            
CONECT    7   18    6   43   44                                       
CONECT    8   20    6   45   46                                       
CONECT    9   29   29   10   23                                       
CONECT   10   24   24    9   47                                       
CONECT   11   25   27   27   24                                       
CONECT   12   13   48   49   50                                       
CONECT   13   14   15   12   51                                       
CONECT   14   13   52   53   54                                       
CONECT   15   13    1   39                                            
CONECT   16    4    5   55                                            
CONECT   17    5    5                                                 
CONECT   18   19    7   56   57                                       
CONECT   19   20   18                                                 
CONECT   20   21   19    8   58                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23    9   21   59                                            
CONECT   24   11   10   10   60                                       
CONECT   25   26   26   26   11                                       
CONECT   26   25   25   25                                            
CONECT   27   28   11   11   29                                       
CONECT   28   27                                                      
CONECT   29   27    9    9   61                                       
CONECT   30   31    4    4   62                                       
CONECT   31    1    1   30   32                                       
CONECT   32   31   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   39   32   35                                            
CONECT   35   36   34   63   64                                       
CONECT   36   37   38   35   65                                       
CONECT   37   36   38   66   67                                       
CONECT   38   37   36   68   69                                       
CONECT   39   15   40   40   34                                       
CONECT   40   39   39                                                 
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
