COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.216  -3.439  -0.083  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.883  -2.716   0.123  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.068  -0.642   0.515  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.401  -1.365   0.309  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.805  -0.632  -0.170  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.380   0.700   0.033  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.965   0.663   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1       0.252   1.299   0.293  1.00  0.00           C  
HETATM    9  C   UNL     1       1.416   0.543   0.209  1.00  0.00           C  
HETATM   10  C   UNL     1       0.154  -1.319  -0.288  1.00  0.00           C  
HETATM   11  C   UNL     1       2.739   2.532   0.851  1.00  0.00           C  
HETATM   12  C   UNL     1       7.432  -1.190  -1.236  1.00  0.00           C  
HETATM   13  C   UNL     1       8.765  -2.628  -2.581  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.571   3.064  -0.258  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.532   3.514  -0.694  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.471   4.941  -1.173  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.843   5.596  -1.003  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.432   2.737  -0.749  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.515   1.380  -0.408  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.726   0.712  -0.508  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.024  -1.309  -0.277  1.00  0.00           N  
HETATM   22  N   UNL     1      -9.259  -2.773   0.709  1.00  0.00           N  
HETATM   23  C   UNL     1     -10.540  -3.483   0.597  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.528  -2.916   1.618  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.465  -0.642   0.370  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.672  -1.307   0.268  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.154   1.373   0.134  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.971  -0.638  -0.218  1.00  0.00           N  
HETATM   29  N   UNL     1       1.326  -0.753  -0.081  1.00  0.00           N  
HETATM   30  N   UNL     1       2.657   1.133   0.426  1.00  0.00           N  
HETATM   31  C   UNL     1       3.784   0.416   0.243  1.00  0.00           C  
HETATM   32  O   UNL     1       3.716  -0.745  -0.110  1.00  0.00           O  
HETATM   33  N   UNL     1       4.987   0.988   0.453  1.00  0.00           N  
HETATM   34  C   UNL     1       6.159   0.268   0.190  1.00  0.00           C  
HETATM   35  C   UNL     1       6.270  -0.478  -0.976  1.00  0.00           C  
HETATM   36 CL   UNL     1       4.955  -0.518  -2.109  1.00  0.00          Cl  
HETATM   37  O   UNL     1       7.541  -1.919  -2.378  1.00  0.00           O  
HETATM   38  C   UNL     1       8.484  -1.153  -0.334  1.00  0.00           C  
HETATM   39  C   UNL     1       8.375  -0.409   0.831  1.00  0.00           C  
HETATM   40  C   UNL     1       7.212   0.300   1.095  1.00  0.00           C  
HETATM   41 CL   UNL     1       7.075   1.232   2.553  1.00  0.00          Cl  
HETATM   42  O   UNL     1       9.407  -0.374   1.715  1.00  0.00           O  
HETATM   43  C   UNL     1      10.574  -1.128   1.379  1.00  0.00           C  
HETATM   44  H   UNL     1      -8.486  -3.410  -1.138  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.121  -4.476   0.240  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.599  -2.769   1.174  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.113  -3.191  -0.486  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.163   0.394   0.192  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.797  -0.672   1.571  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.170  -0.890   0.918  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.685  -1.312  -0.742  1.00  0.00           H  
HETATM   52  H   UNL     1       0.291   2.353   0.527  1.00  0.00           H  
HETATM   53  H   UNL     1       0.116  -2.373  -0.522  1.00  0.00           H  
HETATM   54  H   UNL     1       2.730   2.582   1.940  1.00  0.00           H  
HETATM   55  H   UNL     1       3.663   2.973   0.476  1.00  0.00           H  
HETATM   56  H   UNL     1       1.886   3.083   0.455  1.00  0.00           H  
HETATM   57  H   UNL     1       9.594  -1.921  -2.605  1.00  0.00           H  
HETATM   58  H   UNL     1       8.914  -3.336  -1.766  1.00  0.00           H  
HETATM   59  H   UNL     1       8.720  -3.167  -3.527  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.732   5.489  -0.589  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.188   4.959  -2.226  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.126   5.578   0.050  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.799   6.628  -1.350  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.582   5.048  -1.587  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.583   3.117  -1.024  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.606   1.236  -0.849  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.941  -3.353  -0.408  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.384  -4.544   0.792  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.127  -3.046   2.623  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.684  -1.855   1.423  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.479  -3.444   1.535  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.586  -1.169   0.710  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.736  -2.352   0.531  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.138   2.336   0.251  1.00  0.00           H  
HETATM   75  H   UNL     1       5.040   1.897   0.786  1.00  0.00           H  
HETATM   76  H   UNL     1       9.390  -1.704  -0.539  1.00  0.00           H  
HETATM   77  H   UNL     1      11.319  -1.014   2.167  1.00  0.00           H  
HETATM   78  H   UNL     1      10.310  -2.180   1.278  1.00  0.00           H  
HETATM   79  H   UNL     1      10.983  -0.764   0.437  1.00  0.00           H  
CONECT    1   22    2   44   45                                       
CONECT    2    1   21   46   47                                       
CONECT    3    4   21   48   49                                       
CONECT    4   22    3   50   51                                       
CONECT    5   21   20   20   26                                       
CONECT    6   19   19   25   27                                       
CONECT    7   27    8    8   28                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   30   29   29                                       
CONECT   10   28   28   29   53                                       
CONECT   11   30   54   55   56                                       
CONECT   12   35   35   38   37                                       
CONECT   13   37   57   58   59                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   16   18                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   62   63   64                                       
CONECT   18   15   19   65                                            
CONECT   19   20   18    6    6                                       
CONECT   20    5    5   19   66                                       
CONECT   21    2    3    5                                            
CONECT   22   23    1    4                                            
CONECT   23   24   22   67   68                                       
CONECT   24   23   69   70   71                                       
CONECT   25   26   26    6   72                                       
CONECT   26    5   25   25   73                                       
CONECT   27    6    7   74                                            
CONECT   28    7   10   10                                            
CONECT   29    9    9   10                                            
CONECT   30   11    9   31                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   75                                            
CONECT   34   33   40   40   35                                       
CONECT   35   34   36   12   12                                       
CONECT   36   35                                                      
CONECT   37   12   13                                                 
CONECT   38   39   39   12   76                                       
CONECT   39   40   42   38   38                                       
CONECT   40   41   34   34   39                                       
CONECT   41   40                                                      
CONECT   42   39   43                                                 
CONECT   43   42   77   78   79                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   33                                                      
CONECT   76   38                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
