COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.346   8.654  15.361  1.00  0.00           O  
HETATM    2  C   UNL     1      10.736   8.672  14.201  1.00  0.00           C  
HETATM    3  O   UNL     1      10.019   9.039  13.200  1.00  0.00           O  
HETATM    4  C   UNL     1      12.162   8.144  14.093  1.00  0.00           C  
HETATM    5  C   UNL     1      12.114   7.053  13.018  1.00  0.00           C  
HETATM    6  C   UNL     1      11.921   5.694  13.648  1.00  0.00           C  
HETATM    7  C   UNL     1      12.892   4.813  14.066  1.00  0.00           C  
HETATM    8  C   UNL     1      14.385   4.986  14.014  1.00  0.00           C  
HETATM    9  C   UNL     1      12.208   3.711  14.564  1.00  0.00           C  
HETATM   10  N   UNL     1      10.844   3.842  14.462  1.00  0.00           N  
HETATM   11  C   UNL     1      10.725   5.061  13.915  1.00  0.00           C  
HETATM   12  C   UNL     1       9.382   5.609  13.655  1.00  0.00           C  
HETATM   13  C   UNL     1      12.946   2.556  15.146  1.00  0.00           C  
HETATM   14  C   UNL     1      12.261   1.335  15.522  1.00  0.00           C  
HETATM   15  N   UNL     1      10.948   1.406  15.490  1.00  0.00           N  
HETATM   16 CO   UNL     1       9.570   2.570  15.070  1.00  0.00          Co1+
HETATM   17  C   UNL     1      12.769   0.107  15.975  1.00  0.00           C  
HETATM   18  C   UNL     1      14.228  -0.210  16.134  1.00  0.00           C  
HETATM   19  C   UNL     1      11.640  -0.693  16.216  1.00  0.00           C  
HETATM   20  C   UNL     1      11.681  -2.144  16.672  1.00  0.00           C  
HETATM   21  C   UNL     1      10.415   0.042  15.767  1.00  0.00           C  
HETATM   22  C   UNL     1      10.020  -0.648  14.468  1.00  0.00           C  
HETATM   23  C   UNL     1       9.102   0.220  16.457  1.00  0.00           C  
HETATM   24  N   UNL     1       8.364   1.300  15.699  1.00  0.00           N  
HETATM   25  C   UNL     1       9.451   0.700  17.903  1.00  0.00           C  
HETATM   26  C   UNL     1       7.957  -0.732  16.652  1.00  0.00           C  
HETATM   27  C   UNL     1       8.042  -2.081  17.341  1.00  0.00           C  
HETATM   28  C   UNL     1       6.726  -0.128  16.342  1.00  0.00           C  
HETATM   29  C   UNL     1       5.332  -0.661  16.519  1.00  0.00           C  
HETATM   30  C   UNL     1       7.068   1.108  15.761  1.00  0.00           C  
HETATM   31  C   UNL     1       6.236   2.215  15.260  1.00  0.00           C  
HETATM   32  C   UNL     1       6.790   3.490  14.726  1.00  0.00           C  
HETATM   33  C   UNL     1       6.002   4.543  14.265  1.00  0.00           C  
HETATM   34  C   UNL     1       4.486   4.670  14.230  1.00  0.00           C  
HETATM   35  N   UNL     1       8.125   3.721  14.612  1.00  0.00           N  
HETATM   36  C   UNL     1       8.146   4.937  14.017  1.00  0.00           C  
HETATM   37  C   UNL     1       6.905   5.480  13.802  1.00  0.00           C  
HETATM   38  C   UNL     1       6.532   6.777  13.147  1.00  0.00           C  
HETATM   39  C   UNL     1       6.514   6.568  11.618  1.00  0.00           C  
HETATM   40  C   UNL     1       6.134   7.801  10.798  1.00  0.00           C  
HETATM   41  O   UNL     1       4.926   8.113  10.674  1.00  0.00           O  
HETATM   42  O   UNL     1       7.024   8.446  10.212  1.00  0.00           O  
HETATM   43  H   UNL     1       9.444   8.950  15.397  1.00  0.00           H  
HETATM   44  H   UNL     1      12.490   7.722  15.055  1.00  0.00           H  
HETATM   45  H   UNL     1      12.849   8.949  13.793  1.00  0.00           H  
HETATM   46  H   UNL     1      13.059   7.059  12.454  1.00  0.00           H  
HETATM   47  H   UNL     1      11.277   7.256  12.334  1.00  0.00           H  
HETATM   48  H   UNL     1      14.873   4.092  14.429  1.00  0.00           H  
HETATM   49  H   UNL     1      14.702   5.125  12.970  1.00  0.00           H  
HETATM   50  H   UNL     1      14.673   5.868  14.605  1.00  0.00           H  
HETATM   51  H   UNL     1       9.312   6.569  13.165  1.00  0.00           H  
HETATM   52  H   UNL     1      14.014   2.629  15.291  1.00  0.00           H  
HETATM   53  H   UNL     1      14.342  -1.240  16.504  1.00  0.00           H  
HETATM   54  H   UNL     1      14.733  -0.112  15.161  1.00  0.00           H  
HETATM   55  H   UNL     1      14.679   0.490  16.853  1.00  0.00           H  
HETATM   56  H   UNL     1      12.712  -2.415  16.942  1.00  0.00           H  
HETATM   57  H   UNL     1      11.027  -2.272  17.547  1.00  0.00           H  
HETATM   58  H   UNL     1      11.333  -2.795  15.856  1.00  0.00           H  
HETATM   59  H   UNL     1       9.629  -1.652  14.690  1.00  0.00           H  
HETATM   60  H   UNL     1       9.244  -0.056  13.960  1.00  0.00           H  
HETATM   61  H   UNL     1      10.901  -0.734  13.816  1.00  0.00           H  
HETATM   62  H   UNL     1       9.987  -0.099  18.436  1.00  0.00           H  
HETATM   63  H   UNL     1      10.088   1.595  17.848  1.00  0.00           H  
HETATM   64  H   UNL     1       8.524   0.943  18.442  1.00  0.00           H  
HETATM   65  H   UNL     1       9.098  -2.355  17.482  1.00  0.00           H  
HETATM   66  H   UNL     1       7.544  -2.025  18.320  1.00  0.00           H  
HETATM   67  H   UNL     1       7.546  -2.842  16.720  1.00  0.00           H  
HETATM   68  H   UNL     1       5.375  -1.648  17.002  1.00  0.00           H  
HETATM   69  H   UNL     1       4.753   0.030  17.149  1.00  0.00           H  
HETATM   70  H   UNL     1       4.848  -0.754  15.536  1.00  0.00           H  
HETATM   71  H   UNL     1       5.163   2.095  15.281  1.00  0.00           H  
HETATM   72  H   UNL     1       4.032   3.769  14.668  1.00  0.00           H  
HETATM   73  H   UNL     1       4.179   5.554  14.809  1.00  0.00           H  
HETATM   74  H   UNL     1       4.151   4.779  13.188  1.00  0.00           H  
HETATM   75  H   UNL     1       7.271   7.549  13.407  1.00  0.00           H  
HETATM   76  H   UNL     1       5.536   7.092  13.490  1.00  0.00           H  
HETATM   77  H   UNL     1       5.789   5.772  11.392  1.00  0.00           H  
HETATM   78  H   UNL     1       7.519   6.248  11.306  1.00  0.00           H  
HETATM   79  H   UNL     1       4.850   8.865  10.099  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   44   45                                       
CONECT    5    6    4   46   47                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   48   49   50                                       
CONECT    9    7   10   13   13                                       
CONECT   10   11    9   16                                            
CONECT   11    6   12   12   10                                       
CONECT   12   11   11   36   51                                       
CONECT   13    9    9   14   52                                       
CONECT   14   13   15   15   17                                       
CONECT   15   16   14   14   21                                       
CONECT   16   10   35   15   24                                       
CONECT   17   14   18   19   19                                       
CONECT   18   17   53   54   55                                       
CONECT   19   21   17   17   20                                       
CONECT   20   19   56   57   58                                       
CONECT   21   22   15   19   23                                       
CONECT   22   21   59   60   61                                       
CONECT   23   24   21   26   25                                       
CONECT   24   16   30   30   23                                       
CONECT   25   23   62   63   64                                       
CONECT   26   28   28   23   27                                       
CONECT   27   26   65   66   67                                       
CONECT   28   30   29   26   26                                       
CONECT   29   28   68   69   70                                       
CONECT   30   31   24   24   28                                       
CONECT   31   32   32   30   71                                       
CONECT   32   33   35   31   31                                       
CONECT   33   37   37   34   32                                       
CONECT   34   33   72   73   74                                       
CONECT   35   36   36   32   16                                       
CONECT   36   12   37   35   35                                       
CONECT   37   38   36   33   33                                       
CONECT   38   39   37   75   76                                       
CONECT   39   40   38   77   78                                       
CONECT   40   42   42   41   39                                       
CONECT   41   40   79                                                 
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
