COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.105  -2.729  -0.262  1.00  0.00           O  
HETATM    2  O   UNL     1      -3.631  -1.951  -1.435  1.00  0.00           O  
HETATM    3  N   UNL     1      -2.108  -1.520   0.459  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.518   3.533   0.766  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.762  -0.307  -1.662  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.854  -0.949   0.955  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.420   1.680  -0.339  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.890   0.383  -0.424  1.00  0.00           C  
HETATM    9  N   UNL     1       4.924   1.919   0.053  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.060   1.124   0.265  1.00  0.00           C  
HETATM   11  N   UNL     1       1.567  -1.424   0.777  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.270   2.699   0.048  1.00  0.00           C  
HETATM   13  C   UNL     1       0.306  -1.765   0.446  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.748  -2.622   1.182  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.807  -0.917  -0.916  1.00  0.00           S  
HETATM   16  C   UNL     1      -5.210   0.105  -0.121  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.591   2.422   0.345  1.00  0.00           C  
HETATM   18  C   UNL     1       1.833  -0.262   1.639  1.00  0.00           C  
HETATM   19  C   UNL     1       2.881   0.623   0.954  1.00  0.00           C  
HETATM   20  N   UNL     1       4.060  -0.188   0.623  1.00  0.00           N  
HETATM   21  C   UNL     1       3.727  -1.246  -0.340  1.00  0.00           C  
HETATM   22  C   UNL     1       2.714  -2.206   0.291  1.00  0.00           C  
HETATM   23  C   UNL     1       5.095   0.609   0.149  1.00  0.00           C  
HETATM   24  C   UNL     1       5.880   2.711  -0.393  1.00  0.00           C  
HETATM   25  C   UNL     1       7.103   2.198  -0.776  1.00  0.00           C  
HETATM   26  C   UNL     1       7.324   0.830  -0.690  1.00  0.00           C  
HETATM   27  C   UNL     1       6.302   0.024  -0.220  1.00  0.00           C  
HETATM   28  H   UNL     1      -6.480   3.647   1.849  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.208   4.464   0.292  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.536   3.292   0.461  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.758   0.078   0.602  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.856  -0.960   2.045  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.388   1.896  -0.571  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.092   0.907   0.497  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.901   3.712   0.119  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.438  -2.218   1.923  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.297  -3.249   0.479  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.986  -3.220   1.682  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.577  -0.909  -0.187  1.00  0.00           H  
HETATM   40  H   UNL     1       0.913   0.305   1.783  1.00  0.00           H  
HETATM   41  H   UNL     1       2.210  -0.600   2.604  1.00  0.00           H  
HETATM   42  H   UNL     1       2.460   1.043   0.041  1.00  0.00           H  
HETATM   43  H   UNL     1       3.171   1.430   1.627  1.00  0.00           H  
HETATM   44  H   UNL     1       3.295  -0.799  -1.236  1.00  0.00           H  
HETATM   45  H   UNL     1       4.630  -1.793  -0.606  1.00  0.00           H  
HETATM   46  H   UNL     1       3.181  -2.728   1.127  1.00  0.00           H  
HETATM   47  H   UNL     1       2.375  -2.929  -0.452  1.00  0.00           H  
HETATM   48  H   UNL     1       5.704   3.774  -0.458  1.00  0.00           H  
HETATM   49  H   UNL     1       7.880   2.854  -1.140  1.00  0.00           H  
HETATM   50  H   UNL     1       8.272   0.404  -0.984  1.00  0.00           H  
HETATM   51  H   UNL     1       6.440  -1.044  -0.140  1.00  0.00           H  
CONECT    1   13   13                                                 
CONECT    2   15   15                                                 
CONECT    3   15   14    6                                            
CONECT    4   17   28   29   30                                       
CONECT    5   15   15                                                 
CONECT    6    3   13   31   32                                       
CONECT    7    8    8   12   33                                       
CONECT    8   15    7    7   16                                       
CONECT    9   24   24   23                                            
CONECT   10   16   16   17   34                                       
CONECT   11   18   22   13                                            
CONECT   12    7   17   17   35                                       
CONECT   13   11    6    1    1                                       
CONECT   14    3   36   37   38                                       
CONECT   15    5    5    2    2                                       
CONECT   15    3    8                                                 
CONECT   16    8   10   10   39                                       
CONECT   17   12   12   10    4                                       
CONECT   18   19   11   40   41                                       
CONECT   19   20   18   42   43                                       
CONECT   20   23   19   21                                            
CONECT   21   20   22   44   45                                       
CONECT   22   21   11   46   47                                       
CONECT   23   27   27    9   20                                       
CONECT   24   25    9    9   48                                       
CONECT   25   26   26   24   49                                       
CONECT   26   25   25   27   50                                       
CONECT   27   26   23   23   51                                       
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
