COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.071   1.202   0.668  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.650   0.287  -0.037  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.570  -0.537  -0.839  1.00  0.00           C  
HETATM    4  S   UNL     1      -1.908  -1.802  -1.744  1.00  0.00           S  
HETATM    5  C   UNL     1      -3.465  -2.221  -2.322  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.443  -1.394  -1.816  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.908  -0.403  -0.942  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.270  -0.070  -0.106  1.00  0.00           N  
HETATM    9  C   UNL     1       0.801   0.480   0.544  1.00  0.00           C  
HETATM   10  S   UNL     1       0.470   1.788   1.597  1.00  0.00           S  
HETATM   11  C   UNL     1       2.116   1.945   2.004  1.00  0.00           C  
HETATM   12  C   UNL     1       2.915   1.019   1.361  1.00  0.00           C  
HETATM   13  C   UNL     1       4.403   0.972   1.547  1.00  0.00           C  
HETATM   14  C   UNL     1       4.878   1.747   2.809  1.00  0.00           C  
HETATM   15  C   UNL     1       4.652   0.898   4.076  1.00  0.00           C  
HETATM   16  C   UNL     1       6.388   2.024   2.683  1.00  0.00           C  
HETATM   17  C   UNL     1       4.126   3.105   2.916  1.00  0.00           C  
HETATM   18  C   UNL     1       2.596   2.962   2.987  1.00  0.00           C  
HETATM   19  C   UNL     1       2.144   0.171   0.510  1.00  0.00           C  
HETATM   20  C   UNL     1       2.670  -0.893  -0.310  1.00  0.00           C  
HETATM   21  O   UNL     1       3.005  -0.608  -1.473  1.00  0.00           O  
HETATM   22  N   UNL     1       2.769  -2.196   0.225  1.00  0.00           N  
HETATM   23  C   UNL     1       3.276  -3.318  -0.553  1.00  0.00           C  
HETATM   24  C   UNL     1       4.752  -3.454  -0.401  1.00  0.00           C  
HETATM   25  C   UNL     1       2.369  -2.507   1.596  1.00  0.00           C  
HETATM   26  C   UNL     1       0.932  -2.900   1.661  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.048  -0.862  -0.740  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.501   0.348  -0.436  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.589  -3.051  -3.003  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.493  -1.495  -2.061  1.00  0.00           H  
HETATM   31  H   UNL     1       2.132   3.938   2.802  1.00  0.00           H  
HETATM   32  H   UNL     1       2.306   2.647   3.997  1.00  0.00           H  
HETATM   33  H   UNL     1       4.742  -0.071   1.595  1.00  0.00           H  
HETATM   34  H   UNL     1       4.861   1.416   0.652  1.00  0.00           H  
HETATM   35  H   UNL     1       5.216   1.308   4.919  1.00  0.00           H  
HETATM   36  H   UNL     1       3.592   0.883   4.345  1.00  0.00           H  
HETATM   37  H   UNL     1       4.980  -0.133   3.911  1.00  0.00           H  
HETATM   38  H   UNL     1       6.564   3.055   2.362  1.00  0.00           H  
HETATM   39  H   UNL     1       6.888   1.873   3.645  1.00  0.00           H  
HETATM   40  H   UNL     1       6.842   1.352   1.949  1.00  0.00           H  
HETATM   41  H   UNL     1       4.379   3.716   2.038  1.00  0.00           H  
HETATM   42  H   UNL     1       4.475   3.665   3.791  1.00  0.00           H  
HETATM   43  H   UNL     1       2.769  -4.223  -0.204  1.00  0.00           H  
HETATM   44  H   UNL     1       3.007  -3.145  -1.600  1.00  0.00           H  
HETATM   45  H   UNL     1       3.005  -3.322   1.953  1.00  0.00           H  
HETATM   46  H   UNL     1       2.557  -1.620   2.207  1.00  0.00           H  
HETATM   47  H   UNL     1       5.267  -2.558  -0.765  1.00  0.00           H  
HETATM   48  H   UNL     1       5.023  -3.625   0.646  1.00  0.00           H  
HETATM   49  H   UNL     1       5.109  -4.309  -0.987  1.00  0.00           H  
HETATM   50  H   UNL     1       0.287  -2.081   1.322  1.00  0.00           H  
HETATM   51  H   UNL     1       0.742  -3.787   1.049  1.00  0.00           H  
HETATM   52  H   UNL     1       0.658  -3.137   2.696  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    3    3    6   28                                       
CONECT    8    2    9   27                                            
CONECT    9    8   10   19   19                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   13   19                                       
CONECT   13   12   14   33   34                                       
CONECT   14   13   15   16   17                                       
CONECT   15   14   35   36   37                                       
CONECT   16   14   38   39   40                                       
CONECT   17   14   18   41   42                                       
CONECT   18   11   17   31   32                                       
CONECT   19    9    9   12   20                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   25                                            
CONECT   23   22   24   43   44                                       
CONECT   24   23   47   48   49                                       
CONECT   25   22   26   45   46                                       
CONECT   26   25   50   51   52                                       
CONECT   27    8                                                      
CONECT   28    7                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31   18                                                      
CONECT   32   18                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
