COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.072  -4.730  -0.061  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.211  -3.527  -0.150  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.378  -3.034  -0.674  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.420  -1.729  -1.334  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.537  -3.931  -0.547  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.781  -3.405  -1.244  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.695  -2.676  -0.255  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.273  -1.427  -0.924  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.922  -0.574   0.107  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.840  -1.107   1.119  1.00  0.00           C  
HETATM   11  S   UNL     1      -5.529   1.057   0.024  1.00  0.00           S  
HETATM   12  O   UNL     1      -5.842   1.488  -1.293  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.047   1.666   1.198  1.00  0.00           O  
HETATM   14  N   UNL     1      -3.864   1.087   0.157  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.280   2.333   0.314  1.00  0.00           C  
HETATM   16  O   UNL     1      -3.912   3.375   0.393  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.798   2.257   0.375  1.00  0.00           C  
HETATM   18  C   UNL     1       0.842  -2.613   0.286  1.00  0.00           C  
HETATM   19  C   UNL     1       0.455  -1.535   1.256  1.00  0.00           C  
HETATM   20  N   UNL     1       0.928  -0.220   0.827  1.00  0.00           N  
HETATM   21  C   UNL     1       0.114   0.866   0.630  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.267   0.988   0.665  1.00  0.00           C  
HETATM   23  C   UNL     1       2.068  -2.809  -0.129  1.00  0.00           C  
HETATM   24  C   UNL     1       3.313  -2.107   0.106  1.00  0.00           C  
HETATM   25  C   UNL     1       4.503  -2.824  -0.107  1.00  0.00           C  
HETATM   26  C   UNL     1       5.730  -2.263   0.169  1.00  0.00           C  
HETATM   27  O   UNL     1       6.869  -2.963  -0.069  1.00  0.00           O  
HETATM   28  C   UNL     1       8.105  -2.317   0.243  1.00  0.00           C  
HETATM   29  C   UNL     1       5.797  -0.980   0.701  1.00  0.00           C  
HETATM   30  C   UNL     1       4.646  -0.240   0.856  1.00  0.00           C  
HETATM   31  C   UNL     1       3.396  -0.757   0.497  1.00  0.00           C  
HETATM   32  C   UNL     1       2.223   0.134   0.531  1.00  0.00           C  
HETATM   33  C   UNL     1       2.242   1.467   0.201  1.00  0.00           C  
HETATM   34  C   UNL     1       0.936   1.972   0.317  1.00  0.00           C  
HETATM   35  C   UNL     1       0.390   3.259   0.167  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.981   3.367   0.203  1.00  0.00           C  
HETATM   37  C   UNL     1       3.421   2.298  -0.241  1.00  0.00           C  
HETATM   38  C   UNL     1       3.151   2.865  -1.636  1.00  0.00           C  
HETATM   39  C   UNL     1       4.348   3.707  -2.085  1.00  0.00           C  
HETATM   40  C   UNL     1       4.560   4.858  -1.099  1.00  0.00           C  
HETATM   41  C   UNL     1       4.830   4.290   0.296  1.00  0.00           C  
HETATM   42  C   UNL     1       3.633   3.448   0.745  1.00  0.00           C  
HETATM   43  H   UNL     1      -1.676  -0.961  -0.604  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.444  -1.509  -1.766  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.171  -1.745  -2.123  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.278  -4.911  -0.965  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.758  -4.075   0.519  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.553  -2.770  -2.086  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.343  -4.271  -1.635  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.507  -3.347   0.033  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.124  -2.393   0.629  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.473  -0.868  -1.411  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.013  -1.722  -1.672  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.275  -1.403   2.003  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.566  -0.341   1.390  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.362  -1.975   0.715  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.352   0.267   0.111  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.626  -1.515   1.368  1.00  0.00           H  
HETATM   59  H   UNL     1       0.901  -1.766   2.228  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.887   0.146   0.935  1.00  0.00           H  
HETATM   61  H   UNL     1       2.172  -3.665  -0.782  1.00  0.00           H  
HETATM   62  H   UNL     1       4.453  -3.830  -0.496  1.00  0.00           H  
HETATM   63  H   UNL     1       8.195  -1.403  -0.345  1.00  0.00           H  
HETATM   64  H   UNL     1       8.129  -2.070   1.304  1.00  0.00           H  
HETATM   65  H   UNL     1       8.933  -2.984   0.006  1.00  0.00           H  
HETATM   66  H   UNL     1       6.752  -0.554   0.970  1.00  0.00           H  
HETATM   67  H   UNL     1       4.728   0.743   1.296  1.00  0.00           H  
HETATM   68  H   UNL     1       1.016   4.126   0.022  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.436   4.339   0.092  1.00  0.00           H  
HETATM   70  H   UNL     1       4.315   1.674  -0.269  1.00  0.00           H  
HETATM   71  H   UNL     1       3.000   2.045  -2.339  1.00  0.00           H  
HETATM   72  H   UNL     1       2.258   3.489  -1.608  1.00  0.00           H  
HETATM   73  H   UNL     1       5.241   3.083  -2.113  1.00  0.00           H  
HETATM   74  H   UNL     1       4.155   4.111  -3.079  1.00  0.00           H  
HETATM   75  H   UNL     1       5.412   5.457  -1.418  1.00  0.00           H  
HETATM   76  H   UNL     1       3.666   5.481  -1.071  1.00  0.00           H  
HETATM   77  H   UNL     1       5.723   3.666   0.268  1.00  0.00           H  
HETATM   78  H   UNL     1       4.981   5.110   0.999  1.00  0.00           H  
HETATM   79  H   UNL     1       2.740   4.072   0.773  1.00  0.00           H  
HETATM   80  H   UNL     1       3.826   3.044   1.739  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   18                                       
CONECT    3    4    5    2                                            
CONECT    4    3   43   44   45                                       
CONECT    5    6    3   46   47                                       
CONECT    6    7    5   48   49                                       
CONECT    7    8    6   50   51                                       
CONECT    8    7    9   52   53                                       
CONECT    9   10    8   11                                            
CONECT   10    9   54   55   56                                       
CONECT   11    9   13   13   12                                       
CONECT   11   12   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   57                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   22   22   36                                       
CONECT   18    2   23   23   19                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   21   32                                            
CONECT   21   22   20   34   34                                       
CONECT   22   17   17   21   60                                       
CONECT   23   18   18   24   61                                       
CONECT   24   23   25   25   31                                       
CONECT   25   24   24   26   62                                       
CONECT   26   25   27   29   29                                       
CONECT   27   26   28                                                 
CONECT   28   27   63   64   65                                       
CONECT   29   26   26   30   66                                       
CONECT   30   31   31   29   67                                       
CONECT   31   24   32   30   30                                       
CONECT   32   20   31   33   33                                       
CONECT   33   34   32   32   37                                       
CONECT   34   21   21   35   33                                       
CONECT   35   36   36   34   68                                       
CONECT   36   17   35   35   69                                       
CONECT   37   33   42   38   70                                       
CONECT   38   37   39   71   72                                       
CONECT   39   38   40   73   74                                       
CONECT   40   41   39   75   76                                       
CONECT   41   42   40   77   78                                       
CONECT   42   37   41   79   80                                       
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   14                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   25                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
