COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1      -5.548   0.858  -0.934  1.00  0.00           O  
HETATM    2  C   UNK     1      -4.834  -0.025  -1.348  1.00  0.00           C  
HETATM    3  O   UNK     1      -5.281  -1.290  -1.379  1.00  0.00           O  
HETATM    4  C   UNK     1      -3.444   0.296  -1.834  1.00  0.00           C  
HETATM    5  N   UNK     1      -3.356   1.726  -2.158  1.00  0.00           N  
HETATM    6  C   UNK     1      -2.430  -0.043  -0.740  1.00  0.00           C  
HETATM    7  S   UNK     1      -0.757   0.342  -1.326  1.00  0.00           S  
HETATM    8  C   UNK     1       0.275  -0.013   0.123  1.00  0.00           C  
HETATM    9  C   UNK     1       1.696   0.166  -0.344  1.00  0.00           C  
HETATM   10  C   UNK     1       1.956   0.858  -1.512  1.00  0.00           C  
HETATM   11  C   UNK     1       3.259   1.023  -1.943  1.00  0.00           C  
HETATM   12  C   UNK     1       4.306   0.495  -1.202  1.00  0.00           C  
HETATM   13  O   UNK     1       5.587   0.656  -1.624  1.00  0.00           O  
HETATM   14  C   UNK     1       6.614   0.085  -0.811  1.00  0.00           C  
HETATM   15  C   UNK     1       4.042  -0.199  -0.030  1.00  0.00           C  
HETATM   16  C   UNK     1       2.738  -0.358   0.399  1.00  0.00           C  
HETATM   17  C   UNK     1       0.018   1.073   1.091  1.00  0.00           C  
HETATM   18  C   UNK     1       0.127   2.352   0.503  1.00  0.00           C  
HETATM   19  C   UNK     1      -0.152   3.496   1.207  1.00  0.00           C  
HETATM   20  C   UNK     1      -0.551   3.383   2.527  1.00  0.00           C  
HETATM   21  C   UNK     1      -0.616   2.139   3.098  1.00  0.00           C  
HETATM   22  C   UNK     1      -0.310   0.964   2.375  1.00  0.00           C  
HETATM   23  C   UNK     1      -0.370  -0.231   3.303  1.00  0.00           C  
HETATM   24  C   UNK     1      -1.040  -1.441   2.732  1.00  0.00           C  
HETATM   25  C   UNK     1      -0.369  -2.021   1.506  1.00  0.00           C  
HETATM   26  C   UNK     1       0.110  -1.455   0.404  1.00  0.00           C  
HETATM   27  C   UNK     1      -0.286  -3.428   1.634  1.00  0.00           C  
HETATM   28  C   UNK     1       0.215  -4.220   0.634  1.00  0.00           C  
HETATM   29  C   UNK     1       0.638  -3.630  -0.543  1.00  0.00           C  
HETATM   30  C   UNK     1       0.581  -2.263  -0.653  1.00  0.00           C  
HETATM   31  H   UNK     1      -6.181  -1.446  -1.061  1.00  0.00           H  
HETATM   32  H   UNK     1      -3.227  -0.292  -2.726  1.00  0.00           H  
HETATM   33  H   UNK     1      -3.554   2.293  -1.346  1.00  0.00           H  
HETATM   34  H   UNK     1      -2.454   1.954  -2.547  1.00  0.00           H  
HETATM   35  H   UNK     1      -2.647   0.544   0.152  1.00  0.00           H  
HETATM   36  H   UNK     1      -2.495  -1.105  -0.500  1.00  0.00           H  
HETATM   37  H   UNK     1       1.141   1.270  -2.089  1.00  0.00           H  
HETATM   38  H   UNK     1       3.461   1.564  -2.856  1.00  0.00           H  
HETATM   39  H   UNK     1       6.576   0.525   0.186  1.00  0.00           H  
HETATM   40  H   UNK     1       6.464  -0.992  -0.739  1.00  0.00           H  
HETATM   41  H   UNK     1       7.587   0.286  -1.260  1.00  0.00           H  
HETATM   42  H   UNK     1       4.855  -0.612   0.548  1.00  0.00           H  
HETATM   43  H   UNK     1       2.532  -0.895   1.313  1.00  0.00           H  
HETATM   44  H   UNK     1       0.439   2.431  -0.528  1.00  0.00           H  
HETATM   45  H   UNK     1      -0.061   4.465   0.740  1.00  0.00           H  
HETATM   46  H   UNK     1      -0.807   4.263   3.099  1.00  0.00           H  
HETATM   47  H   UNK     1      -0.909   2.055   4.134  1.00  0.00           H  
HETATM   48  H   UNK     1       0.649  -0.501   3.581  1.00  0.00           H  
HETATM   49  H   UNK     1      -1.076  -2.211   3.502  1.00  0.00           H  
HETATM   50  H   UNK     1      -0.627  -3.891   2.548  1.00  0.00           H  
HETATM   51  H   UNK     1       0.278  -5.290   0.764  1.00  0.00           H  
HETATM   52  H   UNK     1       1.008  -4.233  -1.359  1.00  0.00           H  
HETATM   53  H   UNK     1       0.903  -1.794  -1.571  1.00  0.00           H  
HETATM   54  H   UNK     1      -0.902   0.063   4.208  1.00  0.00           H  
HETATM   55  H   UNK     1      -2.065  -1.175   2.470  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   31                                                 
CONECT    4    6    2    5   32                                       
CONECT    5    4   33   34                                            
CONECT    6    7    4   35   36                                       
CONECT    7    8    6                                                 
CONECT    8   17   26    9    7                                       
CONECT    9    8   10   10   16                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   12   38                                       
CONECT   12   11   11   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   39   40   41                                       
CONECT   15   16   16   12   42                                       
CONECT   16    9   15   15   43                                       
CONECT   17   22   22   18    8                                       
CONECT   18   19   19   17   44                                       
CONECT   19   20   18   18   45                                       
CONECT   20   21   21   19   46                                       
CONECT   21   20   20   22   47                                       
CONECT   22   21   23   17   17                                       
CONECT   23   22   24   48   54                                       
CONECT   24   23   25   49   55                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25    8   30   30                                       
CONECT   27   25   25   28   50                                       
CONECT   28   27   29   29   51                                       
CONECT   29   28   28   30   52                                       
CONECT   30   26   26   29   53                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
