COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       8.804  -0.614  -2.397  1.00  0.00           C  
HETATM    2  N   UNL     1       8.190   0.221  -1.356  1.00  0.00           N  
HETATM    3  C   UNL     1       6.974   0.877  -1.856  1.00  0.00           C  
HETATM    4  C   UNL     1       6.411   1.797  -0.771  1.00  0.00           C  
HETATM    5  N   UNL     1       6.122   1.008   0.435  1.00  0.00           N  
HETATM    6  C   UNL     1       5.508   1.843   1.476  1.00  0.00           C  
HETATM    7  C   UNL     1       4.044   2.108   1.120  1.00  0.00           C  
HETATM    8  O   UNL     1       3.315   0.879   1.157  1.00  0.00           O  
HETATM    9  C   UNL     1       1.991   0.939   0.864  1.00  0.00           C  
HETATM   10  C   UNL     1       1.227  -0.229   0.884  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.119  -0.194   0.590  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.854  -1.334   0.612  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.187  -2.528   1.027  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.215  -3.529   1.563  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.502  -4.833   1.931  1.00  0.00           C  
HETATM   16  O   UNL     1       0.179  -5.343   0.783  1.00  0.00           O  
HETATM   17  C   UNL     1       1.185  -4.469   0.267  1.00  0.00           C  
HETATM   18  C   UNL     1       0.540  -3.151  -0.169  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.724   1.033   0.267  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.099   1.130  -0.043  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.906   0.011  -0.040  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.235   0.106  -0.471  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.152   0.860   0.255  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.016   1.592   1.400  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.356   1.796   1.886  1.00  0.00           C  
HETATM   26  O   UNL     1      -7.163   1.738   0.695  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.470   0.950  -0.178  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.866   0.288  -1.331  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.953  -0.460  -2.050  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.639  -0.549  -1.628  1.00  0.00           C  
HETATM   31 CL   UNL     1      -3.496  -1.484  -2.540  1.00  0.00          Cl  
HETATM   32  N   UNL     1      -2.593   2.327  -0.338  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.831   3.407  -0.344  1.00  0.00           C  
HETATM   34  N   UNL     1      -0.549   3.377  -0.065  1.00  0.00           N  
HETATM   35  C   UNL     1       0.053   2.218   0.247  1.00  0.00           C  
HETATM   36  C   UNL     1       1.416   2.154   0.554  1.00  0.00           C  
HETATM   37  C   UNL     1       7.338   0.352   0.935  1.00  0.00           C  
HETATM   38  C   UNL     1       7.902  -0.568  -0.150  1.00  0.00           C  
HETATM   39  H   UNL     1       9.069   0.008  -3.252  1.00  0.00           H  
HETATM   40  H   UNL     1       9.702  -1.088  -2.000  1.00  0.00           H  
HETATM   41  H   UNL     1       8.097  -1.382  -2.711  1.00  0.00           H  
HETATM   42  H   UNL     1       7.216   1.465  -2.742  1.00  0.00           H  
HETATM   43  H   UNL     1       6.233   0.121  -2.113  1.00  0.00           H  
HETATM   44  H   UNL     1       7.142   2.570  -0.533  1.00  0.00           H  
HETATM   45  H   UNL     1       5.493   2.262  -1.129  1.00  0.00           H  
HETATM   46  H   UNL     1       5.561   1.327   2.434  1.00  0.00           H  
HETATM   47  H   UNL     1       6.043   2.791   1.544  1.00  0.00           H  
HETATM   48  H   UNL     1       3.616   2.806   1.839  1.00  0.00           H  
HETATM   49  H   UNL     1       3.985   2.535   0.119  1.00  0.00           H  
HETATM   50  H   UNL     1       1.695  -1.170   1.133  1.00  0.00           H  
HETATM   51  H   UNL     1       0.533  -2.290   1.810  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.699  -3.116   2.448  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.964  -3.728   0.796  1.00  0.00           H  
HETATM   54  H   UNL     1       0.218  -4.641   2.726  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.235  -5.564   2.273  1.00  0.00           H  
HETATM   56  H   UNL     1       1.928  -4.272   1.040  1.00  0.00           H  
HETATM   57  H   UNL     1       1.668  -4.938  -0.591  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.173  -3.342  -0.970  1.00  0.00           H  
HETATM   59  H   UNL     1       1.312  -2.467  -0.522  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.553  -0.840   0.261  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.637   1.003   2.578  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.446   2.772   2.363  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.890   0.358  -1.667  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.266  -0.974  -2.947  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.283   4.357  -0.590  1.00  0.00           H  
HETATM   66  H   UNL     1       2.016   3.052   0.546  1.00  0.00           H  
HETATM   67  H   UNL     1       8.080   1.108   1.192  1.00  0.00           H  
HETATM   68  H   UNL     1       7.096  -0.236   1.821  1.00  0.00           H  
HETATM   69  H   UNL     1       7.170  -1.341  -0.388  1.00  0.00           H  
HETATM   70  H   UNL     1       8.820  -1.034   0.208  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   38                                            
CONECT    3    2    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4    6   37                                            
CONECT    6    5    7   46   47                                       
CONECT    7    6    8   48   49                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   36   36                                       
CONECT   10    9   11   11   50                                       
CONECT   11   10   10   12   19                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   18   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   56   57                                       
CONECT   18   13   17   58   59                                       
CONECT   19   11   20   20   35                                       
CONECT   20   19   19   21   32                                       
CONECT   21   20   22   60                                            
CONECT   22   21   23   30   30                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   61   62                                       
CONECT   26   25   27                                                 
CONECT   27   23   23   26   28                                       
CONECT   28   27   29   29   63                                       
CONECT   29   28   28   30   64                                       
CONECT   30   22   22   29   31                                       
CONECT   31   30                                                      
CONECT   32   20   33   33                                            
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35                                            
CONECT   35   19   34   34   36                                       
CONECT   36    9    9   35   66                                       
CONECT   37    5   38   67   68                                       
CONECT   38    2   37   69   70                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
