COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.185  -0.777   1.423  1.00  0.00           C  
HETATM    2  C   UNL     1       2.376  -1.060   2.914  1.00  0.00           C  
HETATM    3  O   UNL     1       3.524  -1.891   3.098  1.00  0.00           O  
HETATM    4  C   UNL     1       0.840  -0.060   1.194  1.00  0.00           C  
HETATM    5  O   UNL     1       2.143  -2.015   0.693  1.00  0.00           O  
HETATM    6  C   UNL     1       0.754  -2.393   0.585  1.00  0.00           C  
HETATM    7  C   UNL     1       0.549  -3.364  -0.580  1.00  0.00           C  
HETATM    8  O   UNL     1       1.212  -4.597  -0.294  1.00  0.00           O  
HETATM    9  C   UNL     1       0.031  -1.043   0.313  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.334  -1.102   0.732  1.00  0.00           O  
HETATM   11  O   UNL     1      -2.605  -2.005  -1.385  1.00  0.00           O  
HETATM   12  P   UNL     1      -2.570  -0.846  -0.267  1.00  0.00           P  
HETATM   13  O   UNL     1      -2.407   0.469  -0.926  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.947  -0.862   0.567  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.215  -0.561  -0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.834   0.645   0.693  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.007   1.793   0.495  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.226   0.910   0.109  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.107   1.249  -1.274  1.00  0.00           O  
HETATM   20  C   UNL     1      -8.080  -0.352   0.255  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.432  -1.443  -0.403  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.146  -1.767   0.130  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.603  -2.882  -0.580  1.00  0.00           O  
HETATM   24  O   UNL     1       5.553   1.416   1.765  1.00  0.00           O  
HETATM   25  C   UNL     1       5.635   0.421   0.743  1.00  0.00           C  
HETATM   26  C   UNL     1       5.458   1.081  -0.628  1.00  0.00           C  
HETATM   27  O   UNL     1       4.212   1.779  -0.665  1.00  0.00           O  
HETATM   28  C   UNL     1       5.470  -0.003  -1.710  1.00  0.00           C  
HETATM   29  O   UNL     1       6.741  -0.658  -1.716  1.00  0.00           O  
HETATM   30  C   UNL     1       4.370  -1.025  -1.410  1.00  0.00           C  
HETATM   31  C   UNL     1       4.415  -2.144  -2.453  1.00  0.00           C  
HETATM   32  O   UNL     1       3.317  -3.034  -2.243  1.00  0.00           O  
HETATM   33  O   UNL     1       4.577  -1.577  -0.109  1.00  0.00           O  
HETATM   34  C   UNL     1       4.529  -0.617   0.948  1.00  0.00           C  
HETATM   35  O   UNL     1       3.257   0.035   0.941  1.00  0.00           O  
HETATM   36  C   UNL     1       0.171   2.188   0.750  1.00  0.00           C  
HETATM   37  O   UNL     1      -0.740   2.008   1.533  1.00  0.00           O  
HETATM   38  O   UNL     1       1.046   1.196   0.496  1.00  0.00           O  
HETATM   39  C   UNL     1       0.318   3.494   0.076  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.588   4.524   0.337  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.444   5.741  -0.296  1.00  0.00           C  
HETATM   42  C   UNL     1       0.594   5.942  -1.188  1.00  0.00           C  
HETATM   43  C   UNL     1       1.495   4.926  -1.452  1.00  0.00           C  
HETATM   44  C   UNL     1       1.367   3.706  -0.821  1.00  0.00           C  
HETATM   45  H   UNL     1       2.520  -0.120   3.447  1.00  0.00           H  
HETATM   46  H   UNL     1       1.494  -1.567   3.305  1.00  0.00           H  
HETATM   47  H   UNL     1       3.706  -2.112   4.022  1.00  0.00           H  
HETATM   48  H   UNL     1       0.332   0.111   2.144  1.00  0.00           H  
HETATM   49  H   UNL     1       0.403  -2.835   1.517  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.517  -3.548  -0.716  1.00  0.00           H  
HETATM   51  H   UNL     1       0.962  -2.931  -1.491  1.00  0.00           H  
HETATM   52  H   UNL     1       1.124  -5.262  -0.991  1.00  0.00           H  
HETATM   53  H   UNL     1       0.102  -0.769  -0.739  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.710  -2.896  -1.024  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.083  -0.332  -1.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.919   0.436   1.759  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.340   2.596   0.920  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.696   1.733   0.647  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.951   1.429  -1.708  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.203  -0.587   1.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.058  -0.184  -0.197  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.244  -2.021   1.186  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.144  -3.682  -0.528  1.00  0.00           H  
HETATM   64  H   UNL     1       5.656   1.068   2.662  1.00  0.00           H  
HETATM   65  H   UNL     1       6.608  -0.068   0.788  1.00  0.00           H  
HETATM   66  H   UNL     1       6.274   1.782  -0.804  1.00  0.00           H  
HETATM   67  H   UNL     1       4.132   2.477  -0.001  1.00  0.00           H  
HETATM   68  H   UNL     1       5.291   0.452  -2.684  1.00  0.00           H  
HETATM   69  H   UNL     1       7.486  -0.068  -1.895  1.00  0.00           H  
HETATM   70  H   UNL     1       3.398  -0.533  -1.446  1.00  0.00           H  
HETATM   71  H   UNL     1       4.347  -1.712  -3.452  1.00  0.00           H  
HETATM   72  H   UNL     1       5.352  -2.693  -2.357  1.00  0.00           H  
HETATM   73  H   UNL     1       3.283  -3.770  -2.870  1.00  0.00           H  
HETATM   74  H   UNL     1       4.674  -1.120   1.903  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.399   4.368   1.032  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.144   6.539  -0.095  1.00  0.00           H  
HETATM   77  H   UNL     1       0.702   6.897  -1.681  1.00  0.00           H  
HETATM   78  H   UNL     1       2.303   5.089  -2.149  1.00  0.00           H  
HETATM   79  H   UNL     1       2.071   2.913  -1.027  1.00  0.00           H  
CONECT    1    4    5    2   35                                       
CONECT    2    1    3   45   46                                       
CONECT    3    2   47                                                 
CONECT    4    9   38    1   48                                       
CONECT    5    6    1                                                 
CONECT    6    7    9    5   49                                       
CONECT    7    8    6   50   51                                       
CONECT    8    7   52                                                 
CONECT    9   10    6    4   53                                       
CONECT   10   12    9                                                 
CONECT   11   12   54                                                 
CONECT   12   14   13   13   11                                       
CONECT   12   10                                                      
CONECT   13   12   12                                                 
CONECT   14   15   12                                                 
CONECT   15   22   16   14   55                                       
CONECT   16   18   15   17   56                                       
CONECT   17   16   57                                                 
CONECT   18   20   19   16   58                                       
CONECT   19   18   59                                                 
CONECT   20   21   18   60   61                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   15   62                                       
CONECT   23   22   63                                                 
CONECT   24   25   64                                                 
CONECT   25   34   24   26   65                                       
CONECT   26   28   25   27   66                                       
CONECT   27   26   67                                                 
CONECT   28   30   29   26   68                                       
CONECT   29   28   69                                                 
CONECT   30   33   31   28   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   73                                                 
CONECT   33   34   30                                                 
CONECT   34   35   33   25   74                                       
CONECT   35    1   34                                                 
CONECT   36   38   39   37   37                                       
CONECT   37   36   36                                                 
CONECT   38    4   36                                                 
CONECT   39   44   36   40   40                                       
CONECT   40   39   39   41   75                                       
CONECT   41   42   42   40   76                                       
CONECT   42   43   41   41   77                                       
CONECT   43   44   44   42   78                                       
CONECT   44   43   43   39   79                                       
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   43                                                      
CONECT   79   44                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
