COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.335  -2.062   0.546  1.00  0.00           C  
HETATM    2  C   UNL     1       3.983  -1.632  -1.168  1.00  0.00           C  
HETATM    3  C   UNL     1       4.135  -0.365  -0.771  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.386   0.266  -1.124  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.571   0.561  -0.483  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.583   1.401   0.620  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.411   1.955   1.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.210   1.670   0.464  1.00  0.00           C  
HETATM    9  C   UNL     1       2.144   1.916   0.284  1.00  0.00           C  
HETATM   10  C   UNL     1       1.000   3.095   2.073  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.484  -1.594   1.170  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.652  -2.414   1.720  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.718  -0.886   1.733  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.119   0.728  -0.624  1.00  0.00           O  
HETATM   15  S   UNL     1      -4.081  -0.133  -1.071  1.00  0.00           S  
HETATM   16  O   UNL     1      -3.869  -0.452  -2.439  1.00  0.00           O  
HETATM   17  N   UNL     1      -4.297  -1.574  -0.283  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.201  -1.546   2.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.196   0.814  -0.651  1.00  0.00           C  
HETATM   20  C   UNL     1       1.098   0.533  -1.298  1.00  0.00           C  
HETATM   21  O   UNL     1       1.165  -0.200  -2.266  1.00  0.00           O  
HETATM   22  N   UNL     1       0.990   2.205   0.910  1.00  0.00           N  
HETATM   23  O   UNL     1       3.173   2.409   0.702  1.00  0.00           O  
HETATM   24  N   UNL     1       2.207   1.109  -0.787  1.00  0.00           N  
HETATM   25  C   UNL     1       3.506   0.845  -1.412  1.00  0.00           C  
HETATM   26  N   UNL     1       4.638  -2.515  -0.441  1.00  0.00           N  
HETATM   27  S   UNL     1       5.200  -0.360   0.632  1.00  0.00           S  
HETATM   28  C   UNL     1       6.145  -2.912   1.491  1.00  0.00           C  
HETATM   29  H   UNL     1       3.372  -1.911  -2.014  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.380  -0.388  -1.982  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.518   1.623   1.113  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.430   2.608   1.955  1.00  0.00           H  
HETATM   33  H   UNL     1       1.134   2.506   2.980  1.00  0.00           H  
HETATM   34  H   UNL     1       1.819   3.808   1.979  1.00  0.00           H  
HETATM   35  H   UNL     1       0.054   3.634   2.127  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.281  -2.939   1.002  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.506  -2.920   2.675  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.615  -0.385   2.696  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.390  -0.405   1.022  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.299  -2.405  -0.784  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.348  -2.098   2.930  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.384  -1.996   1.437  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.955  -0.509   2.231  1.00  0.00           H  
HETATM   44  H   UNL     1       4.158   1.709  -1.274  1.00  0.00           H  
HETATM   45  H   UNL     1       3.367   0.662  -2.477  1.00  0.00           H  
HETATM   46  H   UNL     1       7.157  -3.026   1.101  1.00  0.00           H  
HETATM   47  H   UNL     1       6.184  -2.432   2.469  1.00  0.00           H  
HETATM   48  H   UNL     1       5.681  -3.894   1.587  1.00  0.00           H  
CONECT    1   27   28   26   26                                       
CONECT    2    3    3   26   29                                       
CONECT    3   27   25    2    2                                       
CONECT    4    5    5   19   30                                       
CONECT    5    6   15    4    4                                       
CONECT    6    7    7    5   31                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7   22   19   19                                       
CONECT    9   22   23   23   24                                       
CONECT   10   22   33   34   35                                       
CONECT   11   17   18   13   12                                       
CONECT   12   11   13   36   37                                       
CONECT   13   11   12   38   39                                       
CONECT   14   15   15                                                 
CONECT   15   16   16    5   17                                       
CONECT   15   14   14                                                 
CONECT   16   15   15                                                 
CONECT   17   15   11   40                                            
CONECT   18   11   41   42   43                                       
CONECT   19    8    8    4   20                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   10    8    9                                            
CONECT   23    9    9                                                 
CONECT   24    9   20   25                                            
CONECT   25   24    3   44   45                                       
CONECT   26    1    1    2                                            
CONECT   27    1    3                                                 
CONECT   28    1   46   47   48                                       
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
