COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.692   1.964  -0.713  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.332   2.830   0.155  1.00  0.00           C  
HETATM    3  O   UNL     1      -8.758   0.514   1.546  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.429  -0.214   0.640  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.094  -1.359   0.424  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.271   0.164  -0.247  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.777   0.407  -1.670  1.00  0.00           C  
HETATM    8  O   UNL     1      -6.658   1.355   0.250  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.352   1.557  -0.069  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.707   0.688  -0.936  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.660   2.629   0.479  1.00  0.00           C  
HETATM   12 CL   UNL     1      -5.463   3.715   1.570  1.00  0.00          Cl  
HETATM   13  C   UNL     1      -3.380   0.896  -1.260  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.681  -0.042  -2.210  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.070  -1.138  -1.454  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.686  -2.323  -1.153  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.092  -2.692  -1.551  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.853  -3.106  -0.451  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.148  -4.489   0.071  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.601  -2.362  -0.290  1.00  0.00           C  
HETATM   21  C   UNL     1       0.615  -2.638   0.331  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.793  -1.130  -0.947  1.00  0.00           C  
HETATM   23  C   UNL     1       0.238  -0.194  -0.972  1.00  0.00           C  
HETATM   24  C   UNL     1       1.429  -0.468  -0.368  1.00  0.00           C  
HETATM   25  C   UNL     1       1.629  -1.685   0.299  1.00  0.00           C  
HETATM   26  C   UNL     1       2.924  -1.964   0.953  1.00  0.00           C  
HETATM   27  O   UNL     1       3.103  -3.026   1.518  1.00  0.00           O  
HETATM   28  N   UNL     1       3.906  -1.042   0.923  1.00  0.00           N  
HETATM   29  C   UNL     1       5.190  -1.319   1.571  1.00  0.00           C  
HETATM   30  C   UNL     1       5.100  -0.960   3.056  1.00  0.00           C  
HETATM   31  C   UNL     1       6.270  -0.494   0.920  1.00  0.00           C  
HETATM   32  C   UNL     1       7.517  -1.045   0.690  1.00  0.00           C  
HETATM   33  C   UNL     1       8.508  -0.288   0.093  1.00  0.00           C  
HETATM   34  C   UNL     1       8.252   1.020  -0.274  1.00  0.00           C  
HETATM   35  C   UNL     1       9.332   1.845  -0.924  1.00  0.00           C  
HETATM   36  C   UNL     1       8.792   3.245  -1.227  1.00  0.00           C  
HETATM   37  C   UNL     1      10.530   1.954   0.022  1.00  0.00           C  
HETATM   38  C   UNL     1       9.771   1.175  -2.227  1.00  0.00           C  
HETATM   39  C   UNL     1       7.005   1.571  -0.044  1.00  0.00           C  
HETATM   40  C   UNL     1       6.012   0.812   0.548  1.00  0.00           C  
HETATM   41  H   UNL     1      -1.655   2.125  -0.968  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.792   3.663   0.581  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.830  -1.559   1.019  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.540  -0.645  -0.255  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.244  -0.502  -2.050  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.508   1.215  -1.663  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.939   0.680  -2.312  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.241  -0.150  -1.358  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.404  -0.447  -2.918  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.907   0.501  -2.752  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.076  -3.188  -2.522  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.515  -3.366  -0.806  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.701  -1.791  -1.613  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.865  -5.228  -0.678  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.580  -4.661   0.985  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.214  -4.577   0.284  1.00  0.00           H  
HETATM   57  H   UNL     1       0.769  -3.582   0.832  1.00  0.00           H  
HETATM   58  H   UNL     1       0.094   0.752  -1.472  1.00  0.00           H  
HETATM   59  H   UNL     1       2.223   0.264  -0.393  1.00  0.00           H  
HETATM   60  H   UNL     1       3.763  -0.196   0.472  1.00  0.00           H  
HETATM   61  H   UNL     1       5.429  -2.378   1.467  1.00  0.00           H  
HETATM   62  H   UNL     1       4.319  -1.557   3.527  1.00  0.00           H  
HETATM   63  H   UNL     1       6.055  -1.166   3.539  1.00  0.00           H  
HETATM   64  H   UNL     1       4.861   0.098   3.160  1.00  0.00           H  
HETATM   65  H   UNL     1       7.717  -2.067   0.977  1.00  0.00           H  
HETATM   66  H   UNL     1       9.482  -0.718  -0.086  1.00  0.00           H  
HETATM   67  H   UNL     1       8.479   3.722  -0.298  1.00  0.00           H  
HETATM   68  H   UNL     1       9.573   3.842  -1.697  1.00  0.00           H  
HETATM   69  H   UNL     1       7.939   3.167  -1.901  1.00  0.00           H  
HETATM   70  H   UNL     1      10.914   0.958   0.238  1.00  0.00           H  
HETATM   71  H   UNL     1      11.311   2.552  -0.448  1.00  0.00           H  
HETATM   72  H   UNL     1      10.217   2.432   0.951  1.00  0.00           H  
HETATM   73  H   UNL     1       8.918   1.097  -2.901  1.00  0.00           H  
HETATM   74  H   UNL     1      10.552   1.772  -2.698  1.00  0.00           H  
HETATM   75  H   UNL     1      10.156   0.178  -2.012  1.00  0.00           H  
HETATM   76  H   UNL     1       6.803   2.591  -0.335  1.00  0.00           H  
HETATM   77  H   UNL     1       5.038   1.242   0.727  1.00  0.00           H  
CONECT    1    2   13   13   41                                       
CONECT    2   11   11    1   42                                       
CONECT    3    4    4                                                 
CONECT    4    6    3    3    5                                       
CONECT    5    4   43                                                 
CONECT    6    7    4    8   44                                       
CONECT    7    6   45   46   47                                       
CONECT    8    6    9                                                 
CONECT    9   11    8   10   10                                       
CONECT   10    9    9   13   48                                       
CONECT   11   12    2    2    9                                       
CONECT   12   11                                                      
CONECT   13    1    1   10   14                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   16   22                                            
CONECT   16   17   15   18   18                                       
CONECT   17   16   51   52   53                                       
CONECT   18   16   16   20   19                                       
CONECT   19   18   54   55   56                                       
CONECT   20   22   22   18   21                                       
CONECT   21   20   25   25   57                                       
CONECT   22   15   23   20   20                                       
CONECT   23   22   24   24   58                                       
CONECT   24   23   23   25   59                                       
CONECT   25   24   21   21   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   60                                            
CONECT   29   28   31   30   61                                       
CONECT   30   29   62   63   64                                       
CONECT   31   40   29   32   32                                       
CONECT   32   31   31   33   65                                       
CONECT   33   34   34   32   66                                       
CONECT   34   39   35   33   33                                       
CONECT   35   36   37   34   38                                       
CONECT   36   35   67   68   69                                       
CONECT   37   35   70   71   72                                       
CONECT   38   35   73   74   75                                       
CONECT   39   40   40   34   76                                       
CONECT   40   39   39   31   77                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48   10                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
