COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.871   0.166   1.998  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.154   0.251   0.822  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.486   0.721   0.419  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.818   0.815  -0.938  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.063   1.255  -1.308  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.995   1.608  -0.338  1.00  0.00           C  
HETATM    7  O   UNL     1     -11.226   2.042  -0.710  1.00  0.00           O  
HETATM    8  C   UNL     1      -9.671   1.517   1.011  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.431   1.072   1.392  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.138  -0.120  -0.227  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.843  -0.567   0.454  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.811  -0.944  -0.611  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.515  -1.391   0.070  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.772  -2.677   0.858  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.444  -1.649  -0.992  1.00  0.00           C  
HETATM   16  C   UNL     1       0.863  -2.061  -0.333  1.00  0.00           C  
HETATM   17  C   UNL     1       1.006  -1.335   1.006  1.00  0.00           C  
HETATM   18  C   UNL     1       1.133  -3.534  -0.133  1.00  0.00           C  
HETATM   19  C   UNL     1       2.454  -3.663   0.644  1.00  0.00           C  
HETATM   20  C   UNL     1       3.617  -3.014  -0.104  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.117  -0.339  -1.756  1.00  0.00           C  
HETATM   22  C   UNL     1       1.410  -0.103  -1.585  1.00  0.00           C  
HETATM   23  C   UNL     1       1.942  -1.514  -1.311  1.00  0.00           C  
HETATM   24  C   UNL     1       3.243  -1.615  -0.572  1.00  0.00           C  
HETATM   25  C   UNL     1       4.014  -0.558  -0.342  1.00  0.00           C  
HETATM   26  C   UNL     1       5.280  -0.716   0.390  1.00  0.00           C  
HETATM   27  C   UNL     1       5.998   0.354   0.716  1.00  0.00           C  
HETATM   28  C   UNL     1       7.363   0.201   1.348  1.00  0.00           C  
HETATM   29  C   UNL     1       5.467   1.745   0.455  1.00  0.00           C  
HETATM   30  C   UNL     1       6.492   2.509  -0.392  1.00  0.00           C  
HETATM   31  O   UNL     1       6.135   3.892  -0.444  1.00  0.00           O  
HETATM   32  C   UNL     1       7.854   2.357   0.246  1.00  0.00           C  
HETATM   33  C   UNL     1       8.562   3.411   0.567  1.00  0.00           C  
HETATM   34  C   UNL     1       8.384   0.969   0.499  1.00  0.00           C  
HETATM   35  O   UNL     1       8.582   0.297  -0.746  1.00  0.00           O  
HETATM   36  H   UNL     1      -7.095   0.542  -1.692  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.320   1.327  -2.355  1.00  0.00           H  
HETATM   38  H   UNL     1     -11.880   1.337  -0.802  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.398   1.792   1.760  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.182   0.997   2.440  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.527  -0.934  -0.838  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.936   0.745  -0.859  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.454   0.247   1.065  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.044  -1.432   1.086  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.200  -1.758  -1.222  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.609  -0.079  -1.243  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.174  -0.611   0.749  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.849  -2.996   1.343  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.535  -2.494   1.614  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.113  -3.458   0.178  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.777  -2.419  -1.687  1.00  0.00           H  
HETATM   52  H   UNL     1       0.254  -1.706   1.702  1.00  0.00           H  
HETATM   53  H   UNL     1       2.000  -1.516   1.414  1.00  0.00           H  
HETATM   54  H   UNL     1       0.864  -0.264   0.855  1.00  0.00           H  
HETATM   55  H   UNL     1       0.321  -3.984   0.439  1.00  0.00           H  
HETATM   56  H   UNL     1       1.222  -4.029  -1.100  1.00  0.00           H  
HETATM   57  H   UNL     1       2.343  -3.181   1.615  1.00  0.00           H  
HETATM   58  H   UNL     1       2.675  -4.719   0.795  1.00  0.00           H  
HETATM   59  H   UNL     1       4.480  -2.952   0.558  1.00  0.00           H  
HETATM   60  H   UNL     1       3.872  -3.625  -0.970  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.363  -0.451  -2.812  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.676   0.493  -1.328  1.00  0.00           H  
HETATM   63  H   UNL     1       1.844   0.303  -2.499  1.00  0.00           H  
HETATM   64  H   UNL     1       1.606   0.555  -0.738  1.00  0.00           H  
HETATM   65  H   UNL     1       1.967  -2.102  -2.229  1.00  0.00           H  
HETATM   66  H   UNL     1       3.711   0.418  -0.691  1.00  0.00           H  
HETATM   67  H   UNL     1       5.627  -1.702   0.662  1.00  0.00           H  
HETATM   68  H   UNL     1       7.346   0.609   2.358  1.00  0.00           H  
HETATM   69  H   UNL     1       7.633  -0.854   1.384  1.00  0.00           H  
HETATM   70  H   UNL     1       4.522   1.680  -0.084  1.00  0.00           H  
HETATM   71  H   UNL     1       5.313   2.261   1.403  1.00  0.00           H  
HETATM   72  H   UNL     1       6.512   2.098  -1.401  1.00  0.00           H  
HETATM   73  H   UNL     1       6.742   4.436  -0.965  1.00  0.00           H  
HETATM   74  H   UNL     1       8.173   4.401   0.377  1.00  0.00           H  
HETATM   75  H   UNL     1       9.534   3.292   1.023  1.00  0.00           H  
HETATM   76  H   UNL     1       9.328   1.031   1.039  1.00  0.00           H  
HETATM   77  H   UNL     1       9.210   0.738  -1.335  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   10    3                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    8    7                                       
CONECT    7    6   38                                                 
CONECT    8    9    9    6   39                                       
CONECT    9    3    8    8   40                                       
CONECT   10    2   11   41   42                                       
CONECT   11   12   10   43   44                                       
CONECT   12   13   11   45   46                                       
CONECT   13   15   12   14   47                                       
CONECT   14   13   48   49   50                                       
CONECT   15   21   16   13   51                                       
CONECT   16   17   23   15   18                                       
CONECT   17   16   52   53   54                                       
CONECT   18   16   19   55   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20   24   19   59   60                                       
CONECT   21   22   15   61   62                                       
CONECT   22   23   21   63   64                                       
CONECT   23   24   22   16   65                                       
CONECT   24   25   25   23   20                                       
CONECT   25   26   24   24   66                                       
CONECT   26   27   27   25   67                                       
CONECT   27   29   28   26   26                                       
CONECT   28   34   27   68   69                                       
CONECT   29   30   27   70   71                                       
CONECT   30   31   32   29   72                                       
CONECT   31   30   73                                                 
CONECT   32   33   33   30   34                                       
CONECT   33   32   32   74   75                                       
CONECT   34   32   35   28   76                                       
CONECT   35   34   77                                                 
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
