COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.141  -0.782  -0.135  1.00  0.00           C  
HETATM    2  C   UNL     1       0.161   1.534   0.508  1.00  0.00           C  
HETATM    3  C   UNL     1       0.705   0.298   0.143  1.00  0.00           C  
HETATM    4  C   UNL     1       2.168   0.134   0.051  1.00  0.00           C  
HETATM    5  C   UNL     1       2.889  -0.878   0.582  1.00  0.00           C  
HETATM    6  C   UNL     1       4.600   0.224  -0.329  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.507   0.480   0.314  1.00  0.00           C  
HETATM    8  C   UNL     1       6.887  -0.385  -0.256  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.654  -1.555  -0.287  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.464  -0.808  -1.436  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.116   0.477  -0.682  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.000  -0.444  -1.180  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.775   3.021   0.990  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.935  -1.125   1.223  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.241  -1.262  -0.133  1.00  0.00           C  
HETATM   16  N   UNL     1       5.925   0.469  -0.657  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.040   0.611   0.312  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.490  -0.623  -0.054  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.193   1.688   0.595  1.00  0.00           C  
HETATM   20  C   UNL     1       2.265  -2.005   1.363  1.00  0.00           C  
HETATM   21  C   UNL     1       8.327  -0.119  -0.612  1.00  0.00           C  
HETATM   22  N   UNL     1       4.182  -0.796   0.358  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.866  -0.768  -0.031  1.00  0.00           N  
HETATM   24  O   UNL     1      -4.283   1.375   0.589  1.00  0.00           O  
HETATM   25  O   UNL     1       6.595  -1.368   0.392  1.00  0.00           O  
HETATM   26  S   UNL     1       3.283   1.218  -0.777  1.00  0.00           S  
HETATM   27  H   UNL     1       0.276  -1.737  -0.417  1.00  0.00           H  
HETATM   28  H   UNL     1       0.813   2.368   0.723  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.649  -1.911  -1.317  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.602  -2.399   0.401  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.886  -1.631  -0.859  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.837  -0.709  -2.455  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.260   1.422  -1.206  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.309   0.500   0.390  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.410  -0.105  -2.031  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.947   3.622   0.096  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.720   2.865   1.510  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.079   3.541   1.648  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.394  -1.708   1.969  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.947  -0.077   1.521  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.958  -1.493   1.147  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.229  -2.311  -0.431  1.00  0.00           H  
HETATM   43  H   UNL     1       6.159   1.255  -1.175  1.00  0.00           H  
HETATM   44  H   UNL     1       1.914  -2.774   0.675  1.00  0.00           H  
HETATM   45  H   UNL     1       3.006  -2.433   2.039  1.00  0.00           H  
HETATM   46  H   UNL     1       1.423  -1.624   1.941  1.00  0.00           H  
HETATM   47  H   UNL     1       8.790   0.482   0.170  1.00  0.00           H  
HETATM   48  H   UNL     1       8.860  -1.066  -0.705  1.00  0.00           H  
HETATM   49  H   UNL     1       8.374   0.418  -1.559  1.00  0.00           H  
CONECT    1   18    3    3   27                                       
CONECT    2   19   19    3   28                                       
CONECT    3    2    1    1    4                                       
CONECT    4    3   26    5    5                                       
CONECT    5    4    4   22   20                                       
CONECT    6   26   16   22   22                                       
CONECT    7   24   24   17   23                                       
CONECT    8   25   25   21   16                                       
CONECT    9   23   18   29   30                                       
CONECT   10   11   12   31   32                                       
CONECT   11   10   12   33   34                                       
CONECT   12   10   11   15   35                                       
CONECT   13   19   36   37   38                                       
CONECT   14   15   39   40   41                                       
CONECT   15   23   12   14   42                                       
CONECT   16    8    6   43                                            
CONECT   17   19    7   18   18                                       
CONECT   18   17   17    9    1                                       
CONECT   19   13    2    2   17                                       
CONECT   20    5   44   45   46                                       
CONECT   21    8   47   48   49                                       
CONECT   22    6    6    5                                            
CONECT   23    7   15    9                                            
CONECT   24    7    7                                                 
CONECT   25    8    8                                                 
CONECT   26    4    6                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
