COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.926  -1.903  -0.714  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.373  -0.670  -0.133  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.007  -0.404  -0.230  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.222   0.245   0.516  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.705   1.409   1.058  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.347   1.679   0.964  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.488   0.765   0.321  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.032   0.458  -0.452  1.00  0.00           C  
HETATM    9  C   UNL     1       0.822  -0.446  -1.089  1.00  0.00           C  
HETATM   10  C   UNL     1       2.169  -0.169  -1.184  1.00  0.00           C  
HETATM   11  C   UNL     1       0.488   1.639   0.085  1.00  0.00           C  
HETATM   12  C   UNL     1       1.838   1.903  -0.017  1.00  0.00           C  
HETATM   13  C   UNL     1       2.677   1.003  -0.649  1.00  0.00           C  
HETATM   14  C   UNL     1       5.131  -0.668   0.769  1.00  0.00           C  
HETATM   15  C   UNL     1       4.533  -2.772   0.032  1.00  0.00           C  
HETATM   16  C   UNL     1       5.122  -3.366   1.130  1.00  0.00           C  
HETATM   17  C   UNL     1       5.745  -2.570   2.082  1.00  0.00           C  
HETATM   18  C   UNL     1       5.748  -1.199   1.897  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.155   1.030   0.229  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.370   0.192  -0.360  1.00  0.00           N  
HETATM   21  N   UNL     1       5.127   0.708   0.570  1.00  0.00           N  
HETATM   22  N   UNL     1       4.552  -1.461  -0.119  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.835   2.846   1.508  1.00  0.00           N  
HETATM   24  O   UNL     1      -5.113  -2.777  -1.340  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.115  -2.137  -0.624  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.549  -0.014   0.610  1.00  0.00           O  
HETATM   27  O   UNL     1       4.880   0.602  -1.884  1.00  0.00           O  
HETATM   28  O   UNL     1       4.535   2.759  -0.669  1.00  0.00           O  
HETATM   29  S   UNL     1       4.400   1.348  -0.774  1.00  0.00           S  
HETATM   30  H   UNL     1      -3.354  -1.103  -0.732  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.360   2.111   1.551  1.00  0.00           H  
HETATM   32  H   UNL     1       0.427  -1.361  -1.507  1.00  0.00           H  
HETATM   33  H   UNL     1       2.830  -0.867  -1.676  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.166   2.343   0.578  1.00  0.00           H  
HETATM   35  H   UNL     1       2.241   2.816   0.397  1.00  0.00           H  
HETATM   36  H   UNL     1       4.051  -3.387  -0.713  1.00  0.00           H  
HETATM   37  H   UNL     1       5.102  -4.440   1.245  1.00  0.00           H  
HETATM   38  H   UNL     1       6.216  -3.011   2.948  1.00  0.00           H  
HETATM   39  H   UNL     1       6.223  -0.551   2.618  1.00  0.00           H  
HETATM   40  H   UNL     1       5.550   1.293   1.217  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.425   3.474   1.954  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.886   3.035   1.443  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.522  -3.573  -1.706  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.798  -0.506   1.404  1.00  0.00           H  
CONECT    1    2   25   25   24                                       
CONECT    2    4    4    3    1                                       
CONECT    3    7    7    2   30                                       
CONECT    4    5   26    2    2                                       
CONECT    5    6    6    4   31                                       
CONECT    6   23    5    5    7                                       
CONECT    7    6   19    3    3                                       
CONECT    8   11   20    9    9                                       
CONECT    9    8    8   10   32                                       
CONECT   10   13   13    9   33                                       
CONECT   11   12   12    8   34                                       
CONECT   12   11   11   13   35                                       
CONECT   13   12   29   10   10                                       
CONECT   14   18   21   22   22                                       
CONECT   15   16   16   22   36                                       
CONECT   16   17   15   15   37                                       
CONECT   17   18   18   16   38                                       
CONECT   18   17   17   14   39                                       
CONECT   19   20   20    7                                            
CONECT   20    8   19   19                                            
CONECT   21   14   29   40                                            
CONECT   22   14   14   15                                            
CONECT   23    6   41   42                                            
CONECT   24    1   43                                                 
CONECT   25    1    1                                                 
CONECT   26    4   44                                                 
CONECT   27   29   29                                                 
CONECT   28   29   29                                                 
CONECT   29   21   13   27   27                                       
CONECT   29   28   28                                                 
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
