COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.447  -0.113   1.804  1.00  0.00           C  
HETATM    2  C   UNL     1       2.143  -1.337   0.938  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.423  -2.633   1.240  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.517  -3.428   1.498  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.791  -2.966   1.227  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.972  -1.691   0.689  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.587  -1.356   0.696  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.251  -0.749   0.532  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.340  -1.196   0.399  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.863   0.533   0.308  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.987   3.336  -1.544  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.113   4.224   0.681  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.739   3.653   1.039  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.593  -1.565  -0.309  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.331  -2.073  -0.051  1.00  0.00           C  
HETATM   16  C   UNL     1       2.594  -1.077  -0.476  1.00  0.00           C  
HETATM   17  C   UNL     1       4.616  -1.890  -2.803  1.00  0.00           C  
HETATM   18  C   UNL     1       7.046   1.836  -3.158  1.00  0.00           C  
HETATM   19  C   UNL     1       7.848   1.791  -2.032  1.00  0.00           C  
HETATM   20  C   UNL     1       7.475   0.977  -0.967  1.00  0.00           C  
HETATM   21  C   UNL     1       9.444   1.797   0.035  1.00  0.00           C  
HETATM   22  C   UNL     1      10.401   1.938   3.675  1.00  0.00           C  
HETATM   23  N   UNL     1       0.702  -1.599   0.951  1.00  0.00           N  
HETATM   24  C   UNL     1       0.062  -2.834   1.417  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.870  -0.883   0.427  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.043   0.361   0.082  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.644   0.089   0.567  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.146   1.875   0.494  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.490   2.387   0.213  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.607   2.730  -1.275  1.00  0.00           C  
HETATM   31  O   UNL     1     -10.166   4.491  -0.722  1.00  0.00           O  
HETATM   32  N   UNL     1      -7.821  -0.275  -0.124  1.00  0.00           N  
HETATM   33 CL   UNL     1      -5.988  -3.760  -0.281  1.00  0.00          Cl  
HETATM   34  O   UNL     1       1.791  -1.107  -1.384  1.00  0.00           O  
HETATM   35  N   UNL     1       3.891  -0.811  -0.732  1.00  0.00           N  
HETATM   36  CA  UNL     1       4.329  -0.558  -2.107  1.00  0.00           C  
HETATM   37  O   UNL     1       5.723  -2.532  -2.166  1.00  0.00           O  
HETATM   38  C   UNL     1       5.581   0.280  -2.088  1.00  0.00           C  
HETATM   39  C   UNL     1       5.891   1.065  -3.180  1.00  0.00           C  
HETATM   40  N   UNL     1       6.368   0.252  -1.029  1.00  0.00           N  
HETATM   41  N   UNL     1       8.270   0.923   0.171  1.00  0.00           N  
HETATM   42  C   UNL     1      10.333   1.649   1.272  1.00  0.00           C  
HETATM   43  N   UNL     1       9.559   1.994   2.473  1.00  0.00           N  
HETATM   44  C   UNL     1       8.386   1.120   2.609  1.00  0.00           C  
HETATM   45  C   UNL     1       7.497   1.268   1.372  1.00  0.00           C  
HETATM   46  H   UNL     1       3.520   0.082   1.794  1.00  0.00           H  
HETATM   47  H   UNL     1       1.918   0.753   1.407  1.00  0.00           H  
HETATM   48  H   UNL     1       2.121  -0.301   2.827  1.00  0.00           H  
HETATM   49  H   UNL     1       2.673  -2.203   1.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.380  -4.416   1.914  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.647  -3.592   1.430  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.060   3.622  -2.593  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.758   2.602  -1.312  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.887   3.501   0.942  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.278   5.148   1.234  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.969   4.391   0.816  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.712   3.407   2.100  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.382  -2.215  -0.658  1.00  0.00           H  
HETATM   59  H1  UNL     1       3.737  -2.531  -2.738  1.00  0.00           H  
HETATM   60  H2  UNL     1       4.857  -1.708  -3.851  1.00  0.00           H  
HETATM   61  H   UNL     1       7.311   2.459  -4.000  1.00  0.00           H  
HETATM   62  H   UNL     1       8.751   2.381  -1.979  1.00  0.00           H  
HETATM   63  H   UNL     1      10.007   1.513  -0.854  1.00  0.00           H  
HETATM   64  H   UNL     1       9.117   2.833  -0.056  1.00  0.00           H  
HETATM   65  H   UNL     1      11.225   2.644   3.576  1.00  0.00           H  
HETATM   66  H   UNL     1       9.803   2.197   4.549  1.00  0.00           H  
HETATM   67  H   UNL     1      10.798   0.930   3.793  1.00  0.00           H  
HETATM   68  H   UNL     1       0.294  -3.001   2.469  1.00  0.00           H  
HETATM   69  H   UNL     1       0.399  -3.681   0.819  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.009   0.104   0.011  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.454   2.477   0.810  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.230   1.630   0.474  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.486   1.823  -1.868  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.834   3.449  -1.545  1.00  0.00           H  
HETATM   75  H   UNL     1       4.533  -0.787  -0.006  1.00  0.00           H  
HETATM   76  HA  UNL     1       3.545  -0.028  -2.646  1.00  0.00           H  
HETATM   77  H   UNL     1       5.961  -3.384  -2.556  1.00  0.00           H  
HETATM   78  H   UNL     1       5.241   1.081  -4.043  1.00  0.00           H  
HETATM   79  H   UNL     1      10.682   0.619   1.348  1.00  0.00           H  
HETATM   80  H   UNL     1      11.189   2.318   1.186  1.00  0.00           H  
HETATM   81  H   UNL     1       8.713   0.084   2.700  1.00  0.00           H  
HETATM   82  H   UNL     1       7.823   1.403   3.498  1.00  0.00           H  
HETATM   83  H   UNL     1       7.147   2.297   1.296  1.00  0.00           H  
HETATM   84  H   UNL     1       6.640   0.598   1.457  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1   23   16   49                                       
CONECT    3    7    7    4   24                                       
CONECT    4    5    5    3   50                                       
CONECT    5    6    4    4   51                                       
CONECT    6    9   25   25    5                                       
CONECT    7   25    8    3    3                                       
CONECT    8   26   26    7   23                                       
CONECT    9   27    6   15   15                                       
CONECT   10   28   27   27   32                                       
CONECT   11   31   30   52   53                                       
CONECT   12   31   13   54   55                                       
CONECT   13   12   29   56   57                                       
CONECT   14   32   32   15   58                                       
CONECT   15    9    9   14   33                                       
CONECT   16    2   35   34   34                                       
CONECT   17   37   36   59   60                                       
CONECT   18   19   19   39   61                                       
CONECT   19   20   18   18   62                                       
CONECT   20   41   40   40   19                                       
CONECT   21   42   41   63   64                                       
CONECT   22   43   65   66   67                                       
CONECT   23    8    2   24                                            
CONECT   24   23    3   68   69                                       
CONECT   25    6    6    7   70                                       
CONECT   26    8    8                                                 
CONECT   27   10   10    9                                            
CONECT   28   29   10   71                                            
CONECT   29   30   13   28   72                                       
CONECT   30   11   29   73   74                                       
CONECT   31   11   12                                                 
CONECT   32   10   14   14                                            
CONECT   33   15                                                      
CONECT   34   16   16                                                 
CONECT   35   16   36   75                                            
CONECT   36   35   17   38   76                                       
CONECT   37   17   77                                                 
CONECT   38   40   36   39   39                                       
CONECT   39   38   38   18   78                                       
CONECT   40   20   20   38                                            
CONECT   41   45   21   20                                            
CONECT   42   43   21   79   80                                       
CONECT   43   22   44   42                                            
CONECT   44   43   45   81   82                                       
CONECT   45   44   41   83   84                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   45                                                      
CONECT   84   45                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
