COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.153  -6.856  19.853  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.769  -6.977  18.676  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.862  -8.145  18.041  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.177  -5.794  17.934  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.832  -6.087  16.461  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.031  -4.955  15.841  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.532  -3.752  15.296  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.960  -3.408  15.251  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.658  -4.881  15.682  1.00  0.00           C  
HETATM   10  C   UNL     1       0.387  -5.893  16.120  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.408  -3.638  15.065  1.00  0.00           C  
HETATM   12  C   UNL     1       0.943  -3.160  14.747  1.00  0.00           C  
HETATM   13  C   UNL     1       1.378  -1.895  14.092  1.00  0.00           C  
HETATM   14  C   UNL     1       2.685  -1.594  13.837  1.00  0.00           C  
HETATM   15  C   UNL     1       3.932  -2.390  14.129  1.00  0.00           C  
HETATM   16  C   UNL     1       2.526  -0.349  13.260  1.00  0.00           C  
HETATM   17  C   UNL     1       3.615   0.539  12.728  1.00  0.00           C  
HETATM   18  C   UNL     1       4.461  -0.192  11.742  1.00  0.00           C  
HETATM   19  N   UNL     1       0.444  -1.038  13.712  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.535  -2.989  14.863  1.00  0.00           N  
HETATM   21 RH   UNL     1      -1.631  -1.075  13.962  1.00  0.00          Rh  
HETATM   22  N   UNL     1      -3.708  -1.132  14.192  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.453  -2.139  14.713  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.807  -1.788  14.709  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.003  -2.562  15.160  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.464  -3.362  13.937  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.667  -4.248  14.266  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.726  -4.980  15.381  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.617  -4.254  13.508  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.730   0.837  13.044  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.731   1.561  12.590  1.00  0.00           C  
HETATM   32  C   UNL     1       0.665   1.187  12.631  1.00  0.00           C  
HETATM   33  C   UNL     1       1.168  -0.051  13.228  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.189   2.754  12.029  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.389   3.900  11.384  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.568   2.693  12.205  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.546   3.757  11.851  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.129   3.672  10.506  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.845   1.502  12.817  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.211   1.096  13.194  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.542  -0.179  13.805  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.845  -0.545  14.118  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.075   0.290  13.889  1.00  0.00           C  
HETATM   44  H   UNL     1      -4.490  -7.688  20.164  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.256  -5.488  18.451  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.904  -4.969  17.961  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.766  -6.216  15.894  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.241  -7.013  16.410  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.676  -4.122  15.631  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.112  -6.765  16.569  1.00  0.00           H  
HETATM   51  H   UNL     1       0.973  -6.216  15.247  1.00  0.00           H  
HETATM   52  H   UNL     1       1.056  -5.431  16.861  1.00  0.00           H  
HETATM   53  H   UNL     1       1.743  -3.827  15.031  1.00  0.00           H  
HETATM   54  H   UNL     1       4.305  -2.134  15.132  1.00  0.00           H  
HETATM   55  H   UNL     1       3.699  -3.464  14.088  1.00  0.00           H  
HETATM   56  H   UNL     1       4.702  -2.153  13.380  1.00  0.00           H  
HETATM   57  H   UNL     1       4.246   0.876  13.564  1.00  0.00           H  
HETATM   58  H   UNL     1       3.160   1.412  12.236  1.00  0.00           H  
HETATM   59  H   UNL     1       5.250   0.477  11.367  1.00  0.00           H  
HETATM   60  H   UNL     1       4.921  -1.064  12.229  1.00  0.00           H  
HETATM   61  H   UNL     1       3.836  -0.529  10.902  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.798  -1.879  15.494  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.733  -3.240  15.983  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.635  -3.998  13.593  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.745  -2.661  13.137  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.562  -5.430  15.421  1.00  0.00           H  
HETATM   67  H   UNL     1       1.383   1.865  12.193  1.00  0.00           H  
HETATM   68  H   UNL     1       0.682   3.650  11.393  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.724   4.042  10.346  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.554   4.827  11.952  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.034   4.727  11.935  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.370   3.713  12.579  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.832   4.505  10.357  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.328   3.731   9.755  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.664   2.717  10.398  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.016   1.790  13.004  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.962  -0.260  14.236  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.987   1.233  14.448  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.175   0.508  12.815  1.00  0.00           H  
CONECT    1    2   44                                                 
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   45   46                                       
CONECT    5    6    4   47   48                                       
CONECT    6    7    9    9    5                                       
CONECT    7   20   20    8    6                                       
CONECT    8   23   23    7   49                                       
CONECT    9   11    6    6   10                                       
CONECT   10    9   50   51   52                                       
CONECT   11   12   12   20    9                                       
CONECT   12   13   11   11   53                                       
CONECT   13   19   14   14   12                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14   54   55   56                                       
CONECT   16   17   33   33   14                                       
CONECT   17   18   16   57   58                                       
CONECT   18   17   59   60   61                                       
CONECT   19   33   21   13                                            
CONECT   20   21   11    7    7                                       
CONECT   21   30   19   22   20                                       
CONECT   22   41   21   23                                            
CONECT   23   22   24    8    8                                       
CONECT   24   42   42   23   25                                       
CONECT   25   26   24   62   63                                       
CONECT   26   27   25   64   65                                       
CONECT   27   29   29   26   28                                       
CONECT   28   27   66                                                 
CONECT   29   27   27                                                 
CONECT   30   31   39   39   21                                       
CONECT   31   34   32   32   30                                       
CONECT   32   31   31   33   67                                       
CONECT   33   32   16   16   19                                       
CONECT   34   35   36   36   31                                       
CONECT   35   34   68   69   70                                       
CONECT   36   37   34   34   39                                       
CONECT   37   38   36   71   72                                       
CONECT   38   37   73   74   75                                       
CONECT   39   36   30   30   40                                       
CONECT   40   39   41   41   76                                       
CONECT   41   40   40   42   22                                       
CONECT   42   41   43   24   24                                       
CONECT   43   42   77   78   79                                       
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
