COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.236   5.621   5.026  1.00  0.00           C  
HETATM    2  C   UNL     1       1.552   5.167   0.843  1.00  0.00           C  
HETATM    3  C   UNL     1       0.525   4.230  -1.259  1.00  0.00           C  
HETATM    4  S   UNL     1       0.387   2.772  -2.147  1.00  0.00           S  
HETATM    5  C   UNL     1       1.327   1.942  -0.996  1.00  0.00           C  
HETATM    6  C   UNL     1       1.740   2.731   0.037  1.00  0.00           C  
HETATM    7  C   UNL     1       2.570   2.264   1.175  1.00  0.00           C  
HETATM    8  C   UNL     1       1.601   0.481  -1.216  1.00  0.00           C  
HETATM    9  C   UNL     1       0.544  -0.421  -0.587  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.719  -0.160  -1.174  1.00  0.00           O  
HETATM   11  P   UNL     1      -2.024  -0.984  -0.686  1.00  0.00           P  
HETATM   12  O   UNL     1      -2.062  -0.773   0.916  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.602  -2.538  -0.845  1.00  0.00           O  
HETATM   14  O   UNL     1      -3.299  -0.614  -1.386  1.00  0.00           O  
HETATM   15  P   UNL     1      -2.309   0.554   1.805  1.00  0.00           P  
HETATM   16  O   UNL     1      -2.370  -0.022   3.314  1.00  0.00           O  
HETATM   17  O   UNL     1      -1.312   1.652   1.580  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.845   0.938   1.484  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.188   4.701   4.139  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.243   5.508   3.920  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.498   6.224   2.808  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.580   6.098   1.827  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.784   6.822   0.627  1.00  0.00           N  
HETATM   24  C   UNL     1       0.522   5.306   1.950  1.00  0.00           C  
HETATM   25  C   UNL     1       0.690   4.621   3.117  1.00  0.00           C  
HETATM   26  C   UNL     1       1.273   4.069  -0.113  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.051   6.298   4.742  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.668   4.643   5.276  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.769   6.005   5.943  1.00  0.00           H  
HETATM   30  H   UNL     1       1.635   6.138   0.317  1.00  0.00           H  
HETATM   31  H   UNL     1       2.550   5.043   1.307  1.00  0.00           H  
HETATM   32  H   UNL     1       0.050   5.131  -1.620  1.00  0.00           H  
HETATM   33  H   UNL     1       1.665   0.278  -2.293  1.00  0.00           H  
HETATM   34  H   UNL     1       2.582   0.233  -0.791  1.00  0.00           H  
HETATM   35  H   UNL     1       3.175   3.088   1.580  1.00  0.00           H  
HETATM   36  H   UNL     1       1.951   1.862   1.991  1.00  0.00           H  
HETATM   37  H   UNL     1       3.253   1.454   0.875  1.00  0.00           H  
HETATM   38  H   UNL     1       0.792  -1.470  -0.777  1.00  0.00           H  
HETATM   39  H   UNL     1       0.469  -0.267   0.495  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.644  -2.953  -1.733  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.427   0.610   4.062  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.215   1.768   1.854  1.00  0.00           H  
HETATM   43  H   UNL     1       1.540   3.970   3.297  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.717   7.022   0.338  1.00  0.00           H  
HETATM   45  H   UNL     1       0.003   7.033   0.052  1.00  0.00           H  
CONECT    1   20   27   28   29                                       
CONECT    2   24   26   30   31                                       
CONECT    3    4   26   26   32                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6   35   36   37                                       
CONECT    8    5    9   33   34                                       
CONECT    9    8   10   38   39                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   14                                       
CONECT   11   14                                                      
CONECT   12   11   15                                                 
CONECT   13   11   40                                                 
CONECT   14   11   11                                                 
CONECT   15   12   16   17   17                                       
CONECT   15   18                                                      
CONECT   16   15   41                                                 
CONECT   17   15   15                                                 
CONECT   18   15   42                                                 
CONECT   19   20   25   25                                            
CONECT   20    1   19   21   21                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   24   24                                       
CONECT   23   22   44   45                                            
CONECT   24    2   22   22   25                                       
CONECT   25   19   19   24   43                                       
CONECT   26    2    3    3    6                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   25                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
