COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.329   1.111  -0.568  1.00  0.00           N  
HETATM    2  C   UNL     1       3.777   0.431   1.249  1.00  0.00           C  
HETATM    3  C   UNL     1       3.610   0.867  -0.059  1.00  0.00           C  
HETATM    4  C   UNL     1       1.260   0.492  -0.028  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.129   0.846  -0.492  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.157   0.090   0.353  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.976   2.451  -0.456  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.516  -0.086   0.864  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.361  -2.246   0.936  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.576  -1.969  -0.988  1.00  0.00           C  
HETATM   11  O   UNL     1       1.417  -0.350   0.831  1.00  0.00           O  
HETATM   12  N   UNL     1       4.982   0.205   1.733  1.00  0.00           N  
HETATM   13  C   UNL     1       6.067   0.381   1.006  1.00  0.00           C  
HETATM   14  C   UNL     1       5.982   0.814  -0.305  1.00  0.00           C  
HETATM   15  C   UNL     1       4.735   1.058  -0.857  1.00  0.00           C  
HETATM   16  C   UNL     1       4.601   1.530  -2.282  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.038  -1.388   0.086  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.238  -3.695  -0.956  1.00  0.00           S  
HETATM   19  C   UNL     1      -0.351  -3.524   0.553  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.509   0.544   0.001  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.917   0.295   0.377  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.067   1.819   0.412  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.352   2.183  -0.095  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.603   2.008   0.055  1.00  0.00           C  
HETATM   25  H   UNL     1       2.210   1.728  -1.307  1.00  0.00           H  
HETATM   26  H   UNL     1       2.911   0.280   1.877  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.287   1.918  -0.382  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.244   0.567  -1.539  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.972   0.284   1.409  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.101   2.129  -1.490  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.052   3.537  -0.401  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.401  -1.169   0.827  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.382   0.259   1.890  1.00  0.00           H  
HETATM   34  H   UNL     1       0.124  -1.907   1.838  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.138  -1.459  -1.756  1.00  0.00           H  
HETATM   36  H   UNL     1       7.037   0.185   1.440  1.00  0.00           H  
HETATM   37  H   UNL     1       6.877   0.956  -0.893  1.00  0.00           H  
HETATM   38  H   UNL     1       4.628   2.620  -2.307  1.00  0.00           H  
HETATM   39  H   UNL     1       5.424   1.132  -2.875  1.00  0.00           H  
HETATM   40  H   UNL     1       3.654   1.181  -2.692  1.00  0.00           H  
HETATM   41  H   UNL     1       0.130  -4.330   1.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.056  -0.061  -0.643  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.664  -0.159   1.028  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.966   2.171   1.439  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.092   1.816   0.408  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.825   2.446  -0.570  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.474   2.343   1.084  1.00  0.00           H  
CONECT    1    3    4   25                                            
CONECT    2   12    3    3   26                                       
CONECT    3    2    2   15    1                                       
CONECT    4    1   11   11    5                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5   20   17   29                                       
CONECT    7   24   22   30   31                                       
CONECT    8   20   21   32   33                                       
CONECT    9   17   19   19   34                                       
CONECT   10   17   17   18   35                                       
CONECT   11    4    4                                                 
CONECT   12   13   13    2                                            
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14    3   16                                       
CONECT   16   15   38   39   40                                       
CONECT   17    6   10   10    9                                       
CONECT   18   10   19                                                 
CONECT   19    9    9   18   41                                       
CONECT   20    6    8   24                                            
CONECT   21    8   22   42   43                                       
CONECT   22   21    7   23   44                                       
CONECT   23   22   45                                                 
CONECT   24   20    7   46   47                                       
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   19                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
