COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.079  -0.180  -0.889  1.00  0.00           N  
HETATM    2  O   UNL     1      -5.468  -0.112   1.297  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.820   0.192   0.174  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.929   3.211   1.669  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.393  -0.803  -0.274  1.00  0.00           C  
HETATM    6  C   UNL     1       2.207  -2.485   1.776  1.00  0.00           C  
HETATM    7  C   UNL     1       1.855  -3.234   3.063  1.00  0.00           C  
HETATM    8  C   UNL     1       5.821   0.190  -0.174  1.00  0.00           C  
HETATM    9  C   UNL     1       9.389   2.428   0.405  1.00  0.00           C  
HETATM   10  C   UNL     1      10.931   3.206  -1.674  1.00  0.00           C  
HETATM   11  N   UNL     1       5.079  -0.178   0.889  1.00  0.00           N  
HETATM   12  O   UNL     1      -9.744   2.462   1.944  1.00  0.00           O  
HETATM   13  O   UNL     1       1.176  -1.542   1.477  1.00  0.00           O  
HETATM   14  O   UNL     1       2.938   0.701  -0.823  1.00  0.00           O  
HETATM   15  O   UNL     1       0.678  -4.016   2.852  1.00  0.00           O  
HETATM   16  O   UNL     1       5.469  -0.117  -1.296  1.00  0.00           O  
HETATM   17  O   UNL     1       9.746   2.456  -1.948  1.00  0.00           O  
HETATM   18  S   UNL     1       0.000   0.327  -0.002  1.00  0.00           S  
HETATM   19  C   UNL     1      -7.062   0.969  -0.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.687   0.004  -0.401  1.00  0.00           C  
HETATM   21  C   UNL     1       1.393  -0.802   0.274  1.00  0.00           C  
HETATM   22  C   UNL     1       8.993   2.080  -0.880  1.00  0.00           C  
HETATM   23  O   UNL     1       3.431  -0.851   3.073  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.469   1.320  -1.315  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.849  -0.951  -0.691  1.00  0.00           C  
HETATM   26  C   UNL     1       2.688   0.005   0.400  1.00  0.00           C  
HETATM   27  C   UNL     1       7.832   1.352  -1.074  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.628   2.045  -1.498  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.535  -1.750  -1.959  1.00  0.00           C  
HETATM   30  C   UNL     1       3.849  -0.949   0.692  1.00  0.00           C  
HETATM   31  C   UNL     1       7.063   0.968   0.025  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.432  -0.859  -3.072  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.936   0.704   0.820  1.00  0.00           O  
HETATM   34  C   UNL     1      -9.389   2.427  -0.409  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.208  -2.490  -1.771  1.00  0.00           C  
HETATM   36  C   UNL     1       3.534  -1.745   1.963  1.00  0.00           C  
HETATM   37  C   UNL     1       7.469   1.323   1.313  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.176  -1.546  -1.475  1.00  0.00           O  
HETATM   39  C   UNL     1      -8.992   2.084   0.877  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.857  -3.243  -3.056  1.00  0.00           C  
HETATM   41  C   UNL     1       8.627   2.049   1.495  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.834   1.351   1.071  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.681  -4.025  -2.843  1.00  0.00           O  
HETATM   44  H   UNL     1      -5.363   0.059  -1.785  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.978  -1.633   0.150  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.665   4.135   1.155  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.594   2.622   1.038  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.434   3.449   2.605  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.474  -1.489   0.569  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.592   0.720  -1.219  1.00  0.00           H  
HETATM   51  H   UNL     1       2.299  -3.196   0.955  1.00  0.00           H  
HETATM   52  H   UNL     1       2.682  -3.889   3.340  1.00  0.00           H  
HETATM   53  H   UNL     1       1.676  -2.517   3.864  1.00  0.00           H  
HETATM   54  H   UNL     1       4.330  -2.466   2.149  1.00  0.00           H  
HETATM   55  H   UNL     1       0.396  -4.520   3.628  1.00  0.00           H  
HETATM   56  H   UNL     1       5.360   0.067   1.785  1.00  0.00           H  
HETATM   57  H   UNL     1      10.298   2.993   0.553  1.00  0.00           H  
HETATM   58  H   UNL     1       8.941   2.322   2.491  1.00  0.00           H  
HETATM   59  H   UNL     1      10.666   4.131  -1.163  1.00  0.00           H  
HETATM   60  H   UNL     1      11.595   2.618  -1.040  1.00  0.00           H  
HETATM   61  H   UNL     1      11.437   3.440  -2.611  1.00  0.00           H  
HETATM   62  H   UNL     1       3.978  -1.634  -0.146  1.00  0.00           H  
HETATM   63  H   UNL     1       1.475  -1.491  -0.567  1.00  0.00           H  
HETATM   64  H   UNL     1       2.239   1.321  -1.073  1.00  0.00           H  
HETATM   65  H   UNL     1       2.591   0.723   1.214  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.876   1.023  -2.168  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.526   1.079   2.070  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.237   1.324   1.067  1.00  0.00           H  
HETATM   69  H   UNL     1       7.523   1.080  -2.072  1.00  0.00           H  
HETATM   70  H   UNL     1       3.227  -1.287   3.912  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.942   2.315  -2.495  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.332  -2.471  -2.142  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.296   2.995  -0.558  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.234  -1.298  -3.910  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.300  -3.198  -0.948  1.00  0.00           H  
HETATM   76  H   UNL     1       6.876   1.028   2.166  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.684  -3.897  -3.331  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.678  -2.527  -3.859  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.399  -4.531  -3.618  1.00  0.00           H  
CONECT    1    3   25   44                                            
CONECT    2    3    3                                                 
CONECT    3    1    2    2   19                                       
CONECT    4   12   46   47   48                                       
CONECT    5   18   20   38   49                                       
CONECT    6    7   13   36   51                                       
CONECT    7    6   15   52   53                                       
CONECT    8   11   16   16   31                                       
CONECT    9   22   41   41   57                                       
CONECT   10   17   59   60   61                                       
CONECT   11    8   30   56                                            
CONECT   12    4   39                                                 
CONECT   13    6   21                                                 
CONECT   14   26   64                                                 
CONECT   15    7   55                                                 
CONECT   16    8    8                                                 
CONECT   17   10   22                                                 
CONECT   18    5   21                                                 
CONECT   19    3   24   42   42                                       
CONECT   20    5   25   33   50                                       
CONECT   21   13   18   26   63                                       
CONECT   22    9   17   27   27                                       
CONECT   23   36   70                                                 
CONECT   24   19   28   28   66                                       
CONECT   25    1   20   29   45                                       
CONECT   26   14   21   30   65                                       
CONECT   27   22   22   31   69                                       
CONECT   28   24   24   34   71                                       
CONECT   29   25   32   35   72                                       
CONECT   30   11   26   36   62                                       
CONECT   31    8   27   37   37                                       
CONECT   32   29   74                                                 
CONECT   33   20   68                                                 
CONECT   34   28   39   39   73                                       
CONECT   35   29   38   40   75                                       
CONECT   36    6   23   30   54                                       
CONECT   37   31   31   41   76                                       
CONECT   38    5   35                                                 
CONECT   39   12   34   34   42                                       
CONECT   40   35   77   78   43                                       
CONECT   41    9    9   37   58                                       
CONECT   42   19   19   39   67                                       
CONECT   43   40   79                                                 
CONECT   44    1                                                      
CONECT   45   25                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50   20                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54   36                                                      
CONECT   55   15                                                      
CONECT   56   11                                                      
CONECT   57    9                                                      
CONECT   58   41                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   30                                                      
CONECT   63   21                                                      
CONECT   64   14                                                      
CONECT   65   26                                                      
CONECT   66   24                                                      
CONECT   67   42                                                      
CONECT   68   33                                                      
CONECT   69   27                                                      
CONECT   70   23                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   34                                                      
CONECT   74   32                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
