COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.475  -1.922   1.516  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.047  -3.304   1.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.537  -3.445   1.241  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.382  -3.456  -0.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.518  -3.369  -1.390  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.007  -3.539  -2.806  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.055  -3.110  -1.173  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.836  -2.534   0.230  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.402  -1.141   0.292  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.620  -0.852   0.882  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.085   0.385   0.914  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.420   1.416   0.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.939   2.721   0.442  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.234   3.751  -0.104  1.00  0.00           C  
HETATM   15 CL   UNL     1      -6.882   5.360  -0.036  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -5.000   3.533  -0.715  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.467   2.282  -0.782  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.166   1.199  -0.231  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.651  -0.115  -0.277  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.428  -0.379  -0.873  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.328  -0.217   0.087  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.990  -0.388  -0.636  1.00  0.00           C  
HETATM   23  C   UNL     1       0.155  -0.219   0.365  1.00  0.00           C  
HETATM   24  C   UNL     1       1.493  -0.390  -0.358  1.00  0.00           C  
HETATM   25  C   UNL     1       2.638  -0.221   0.643  1.00  0.00           C  
HETATM   26  C   UNL     1       3.976  -0.392  -0.080  1.00  0.00           C  
HETATM   27  C   UNL     1       5.104  -0.226   0.905  1.00  0.00           C  
HETATM   28  O   UNL     1       4.862   0.006   2.071  1.00  0.00           O  
HETATM   29  N   UNL     1       6.382  -0.335   0.491  1.00  0.00           N  
HETATM   30  C   UNL     1       7.478  -0.174   1.449  1.00  0.00           C  
HETATM   31  C   UNL     1       8.796  -0.342   0.738  1.00  0.00           C  
HETATM   32  C   UNL     1       9.425   0.757   0.183  1.00  0.00           C  
HETATM   33  C   UNL     1       9.375  -1.594   0.645  1.00  0.00           C  
HETATM   34  C   UNL     1      10.584  -1.753  -0.006  1.00  0.00           C  
HETATM   35  C   UNL     1      11.218  -0.657  -0.568  1.00  0.00           C  
HETATM   36  O   UNL     1      12.407  -0.812  -1.210  1.00  0.00           O  
HETATM   37  C   UNL     1      10.637   0.604  -0.471  1.00  0.00           C  
HETATM   38  O   UNL     1      11.255   1.683  -1.022  1.00  0.00           O  
HETATM   39  C   UNL     1      10.601   2.946  -0.883  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.519  -1.753   1.254  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.365  -1.876   2.600  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.569  -4.071   1.596  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.279  -3.140   2.255  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.235  -4.480   1.079  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.411  -3.650  -0.693  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.082  -3.720  -2.799  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.795  -2.634  -3.375  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.499  -4.386  -3.267  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.502  -4.044  -1.272  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.698  -2.397  -1.917  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.768  -2.504   0.448  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.894   2.906   0.911  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.461   4.367  -1.140  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.510   2.124  -1.258  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.417  -1.301  -1.284  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.377   0.777   0.531  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.416  -0.970   0.871  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.942  -1.382  -1.079  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.902   0.365  -1.419  1.00  0.00           H  
HETATM   60  H   UNL     1       0.106   0.775   0.809  1.00  0.00           H  
HETATM   61  H   UNL     1       0.067  -0.972   1.148  1.00  0.00           H  
HETATM   62  H   UNL     1       1.541  -1.384  -0.802  1.00  0.00           H  
HETATM   63  H   UNL     1       1.581   0.363  -1.141  1.00  0.00           H  
HETATM   64  H   UNL     1       2.589   0.773   1.087  1.00  0.00           H  
HETATM   65  H   UNL     1       2.550  -0.974   1.426  1.00  0.00           H  
HETATM   66  H   UNL     1       4.024  -1.386  -0.524  1.00  0.00           H  
HETATM   67  H   UNL     1       4.064   0.360  -0.863  1.00  0.00           H  
HETATM   68  H   UNL     1       6.575  -0.521  -0.441  1.00  0.00           H  
HETATM   69  H   UNL     1       7.430   0.820   1.893  1.00  0.00           H  
HETATM   70  H   UNL     1       7.390  -0.927   2.233  1.00  0.00           H  
HETATM   71  H   UNL     1       8.973   1.734   0.260  1.00  0.00           H  
HETATM   72  H   UNL     1       8.882  -2.449   1.084  1.00  0.00           H  
HETATM   73  H   UNL     1      11.035  -2.733  -0.076  1.00  0.00           H  
HETATM   74  H   UNL     1      13.179  -0.719  -0.635  1.00  0.00           H  
HETATM   75  H   UNL     1      11.199   3.719  -1.366  1.00  0.00           H  
HETATM   76  H   UNL     1       9.619   2.900  -1.353  1.00  0.00           H  
HETATM   77  H   UNL     1      10.488   3.182   0.175  1.00  0.00           H  
CONECT    1   10    2   40   41                                       
CONECT    2    4    1    3   42                                       
CONECT    3    2    8   43   44                                       
CONECT    4    5    5    2   45                                       
CONECT    5    6    4    4    7                                       
CONECT    6    5   46   47   48                                       
CONECT    7    5    8   49   50                                       
CONECT    8    9    7    3   51                                       
CONECT    9   10   10   19    8                                       
CONECT   10   11    1    9    9                                       
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   18                                       
CONECT   13   14   14   12   52                                       
CONECT   14   15   13   13   16                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   53                                       
CONECT   17   16   16   18   54                                       
CONECT   18   12   17   19   19                                       
CONECT   19   18   18    9   20                                       
CONECT   20   19   21   55                                            
CONECT   21   22   20   56   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64   65                                       
CONECT   26   27   25   66   67                                       
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   68                                            
CONECT   30   31   29   69   70                                       
CONECT   31   32   32   33   30                                       
CONECT   32   37   31   31   71                                       
CONECT   33   34   34   31   72                                       
CONECT   34   35   33   33   73                                       
CONECT   35   36   37   37   34                                       
CONECT   36   35   74                                                 
CONECT   37   38   35   35   32                                       
CONECT   38   39   37                                                 
CONECT   39   38   75   76   77                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
