COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.316  -0.595  -0.650  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.434  -1.346  -1.378  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.289  -1.169  -2.789  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.789  -0.789  -0.929  1.00  0.00           C  
HETATM    5  O   UNL     1      -9.840  -1.533  -1.548  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.900  -0.913   0.593  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.866  -2.292   0.964  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.725  -0.179   1.245  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.497  -0.725   0.761  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.797  -0.348   2.764  1.00  0.00           C  
HETATM   11  O   UNL     1      -6.769   0.431   3.379  1.00  0.00           O  
HETATM   12  S   UNL     1      -4.711  -1.296  -1.122  1.00  0.00           S  
HETATM   13  C   UNL     1      -3.527  -0.198  -0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.118   0.250   0.087  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.102  -0.662  -0.599  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.519   1.181   0.754  1.00  0.00           O  
HETATM   17  N   UNL     1       0.206   0.032  -0.040  1.00  0.00           N  
HETATM   18  C   UNL     1       1.161   0.920   0.628  1.00  0.00           C  
HETATM   19  C   UNL     1       2.453   0.180   0.864  1.00  0.00           C  
HETATM   20  O   UNL     1       2.565  -0.974   0.509  1.00  0.00           O  
HETATM   21  C   UNL     1       1.426   2.141  -0.255  1.00  0.00           C  
HETATM   22  C   UNL     1       0.141   2.960  -0.392  1.00  0.00           C  
HETATM   23  C   UNL     1       0.406   4.181  -1.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.879   4.999  -1.413  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.624   6.172  -2.261  1.00  0.00           N1+
HETATM   26  N   UNL     1       3.485   0.802   1.469  1.00  0.00           N  
HETATM   27  C   UNL     1       4.795   0.202   1.759  1.00  0.00           C  
HETATM   28  C   UNL     1       5.469  -0.205   0.474  1.00  0.00           C  
HETATM   29  O   UNL     1       4.914  -0.016  -0.588  1.00  0.00           O  
HETATM   30  C   UNL     1       5.641   1.275   2.478  1.00  0.00           C  
HETATM   31  C   UNL     1       4.567   2.234   3.057  1.00  0.00           C  
HETATM   32  C   UNL     1       3.488   2.198   1.942  1.00  0.00           C  
HETATM   33  N   UNL     1       6.688  -0.779   0.505  1.00  0.00           N  
HETATM   34  C   UNL     1       7.343  -1.175  -0.744  1.00  0.00           C  
HETATM   35  C   UNL     1       8.074   0.007  -1.325  1.00  0.00           C  
HETATM   36  O   UNL     1       8.050   1.076  -0.752  1.00  0.00           O  
HETATM   37  C   UNL     1       8.338  -2.303  -0.463  1.00  0.00           C  
HETATM   38  C   UNL     1       7.581  -3.546   0.009  1.00  0.00           C  
HETATM   39  C   UNL     1       6.694  -4.063  -1.125  1.00  0.00           C  
HETATM   40  C   UNL     1       8.583  -4.631   0.409  1.00  0.00           C  
HETATM   41  N   UNL     1       8.754  -0.122  -2.481  1.00  0.00           N  
HETATM   42  H   UNL     1      -6.347   0.459  -0.925  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.378  -2.407  -1.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.450  -1.496  -3.141  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.827  -1.504  -2.514  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.838  -0.469   0.927  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.581  -2.820   0.582  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.775   0.881   0.995  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.770  -0.014   3.122  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.657  -1.399   3.019  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.755   0.371   4.344  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.662   0.821  -0.659  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.697  -0.225   0.781  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.966  -1.681  -0.236  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.932  -0.635  -1.676  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.865   0.260  -1.218  1.00  0.00           H  
HETATM   57  H   UNL     1       0.526  -0.712  -0.573  1.00  0.00           H  
HETATM   58  H   UNL     1       0.749   1.245   1.583  1.00  0.00           H  
HETATM   59  H   UNL     1       2.203   2.756   0.199  1.00  0.00           H  
HETATM   60  H   UNL     1       1.754   1.812  -1.241  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.635   2.344  -0.847  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.187   3.289   0.594  1.00  0.00           H  
HETATM   63  H   UNL     1       1.183   4.796  -0.821  1.00  0.00           H  
HETATM   64  H   UNL     1       0.734   3.851  -2.262  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.655   4.384  -1.867  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.207   5.329  -0.427  1.00  0.00           H  
HETATM   67  H   UNL     1       0.094   6.741  -1.840  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.321   5.867  -3.173  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.472   6.712  -2.351  1.00  0.00           H  
HETATM   70  H   UNL     1       4.670  -0.668   2.404  1.00  0.00           H  
HETATM   71  H   UNL     1       6.230   0.828   3.279  1.00  0.00           H  
HETATM   72  H   UNL     1       6.283   1.798   1.770  1.00  0.00           H  
HETATM   73  H   UNL     1       4.172   1.854   4.000  1.00  0.00           H  
HETATM   74  H   UNL     1       4.967   3.240   3.179  1.00  0.00           H  
HETATM   75  H   UNL     1       3.756   2.874   1.130  1.00  0.00           H  
HETATM   76  H   UNL     1       2.513   2.463   2.351  1.00  0.00           H  
HETATM   77  H   UNL     1       7.131  -0.931   1.354  1.00  0.00           H  
HETATM   78  H   UNL     1       6.592  -1.523  -1.454  1.00  0.00           H  
HETATM   79  H   UNL     1       8.889  -2.537  -1.374  1.00  0.00           H  
HETATM   80  H   UNL     1       9.036  -1.986   0.312  1.00  0.00           H  
HETATM   81  H   UNL     1       6.961  -3.289   0.868  1.00  0.00           H  
HETATM   82  H   UNL     1       7.314  -4.320  -1.984  1.00  0.00           H  
HETATM   83  H   UNL     1       6.154  -4.949  -0.788  1.00  0.00           H  
HETATM   84  H   UNL     1       5.980  -3.290  -1.409  1.00  0.00           H  
HETATM   85  H   UNL     1       9.215  -4.263   1.217  1.00  0.00           H  
HETATM   86  H   UNL     1       8.043  -5.517   0.745  1.00  0.00           H  
HETATM   87  H   UNL     1       9.203  -4.888  -0.450  1.00  0.00           H  
HETATM   88  H   UNL     1       8.773  -0.977  -2.939  1.00  0.00           H  
HETATM   89  H   UNL     1       9.225   0.639  -2.855  1.00  0.00           H  
CONECT    1    2    9   12   42                                       
CONECT    2    1    3    4   43                                       
CONECT    3    2   44                                                 
CONECT    4    2    5    6   56                                       
CONECT    5    4   45                                                 
CONECT    6    4    7    8   46                                       
CONECT    7    6   47                                                 
CONECT    8    6    9   10   48                                       
CONECT    9    1    8                                                 
CONECT   10    8   11   49   50                                       
CONECT   11   10   51                                                 
CONECT   12    1   13                                                 
CONECT   13   12   15   52   53                                       
CONECT   14   15   16   16   17                                       
CONECT   15   13   14   54   55                                       
CONECT   16   14   14                                                 
CONECT   17   18   57   14                                            
CONECT   18   17   19   21   58                                       
CONECT   19   18   20   20   26                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   59   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   67   68   69                                       
CONECT   26   27   32   19                                            
CONECT   27   26   28   30   70                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   71   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   26   31   75   76                                       
CONECT   33   34   77   28                                            
CONECT   34   33   35   37   78                                       
CONECT   35   34   36   36   41                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   79   80                                       
CONECT   38   37   39   40   81                                       
CONECT   39   38   82   83   84                                       
CONECT   40   38   85   86   87                                       
CONECT   41   88   89   35                                            
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56    4                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
