COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.336   1.100   0.163  1.00  0.00           C  
HETATM    2  C   UNL     1       0.431   0.714   0.597  1.00  0.00           C  
HETATM    3  C   UNL     1       1.574  -1.979   3.662  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.799  -2.995  -1.728  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.259  -2.854  -1.260  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.063  -1.337  -1.435  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.167  -0.644   2.475  1.00  0.00           C  
HETATM    8  C   UNL     1       1.153  -1.028   2.571  1.00  0.00           C  
HETATM    9  C   UNL     1       3.942   0.142  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1       6.158   0.088  -0.855  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.622  -1.605  -1.266  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.567  -0.874  -0.854  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.460  -1.373  -0.815  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.758   0.535  -0.451  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.971   1.244  -0.443  1.00  0.00           C  
HETATM   16  N   UNL     1      -5.738   2.460  -0.024  1.00  0.00           N  
HETATM   17  N   UNL     1      -4.374   2.596   0.257  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.768   1.407  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.715   3.808   0.749  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.870   0.671   1.353  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.545   0.251   1.473  1.00  0.00           C  
HETATM   22  C   UNL     1       1.738   0.272   0.751  1.00  0.00           C  
HETATM   23  N   UNL     1       2.055  -0.574   1.720  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.575   1.229  -0.777  1.00  0.00           O  
HETATM   25  N   UNL     1       2.726   0.722  -0.123  1.00  0.00           N  
HETATM   26  N   UNL     1       4.941   0.669  -0.856  1.00  0.00           N  
HETATM   27  S   UNL     1       4.219  -1.265   0.815  1.00  0.00           S  
HETATM   28  O   UNL     1       7.156   0.614  -1.589  1.00  0.00           O  
HETATM   29  O   UNL     1       6.354  -0.910  -0.191  1.00  0.00           O  
HETATM   30  C   UNL     1       8.439  -0.063  -1.540  1.00  0.00           C  
HETATM   31  C   UNL     1       9.440   0.675  -2.431  1.00  0.00           C  
HETATM   32  H   UNL     1       0.176   1.403  -0.194  1.00  0.00           H  
HETATM   33  H   UNL     1       1.488  -3.004   3.303  1.00  0.00           H  
HETATM   34  H   UNL     1       2.608  -1.776   3.942  1.00  0.00           H  
HETATM   35  H   UNL     1       0.929  -1.843   4.530  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.224  -3.724  -1.158  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.693  -3.119  -2.806  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.984  -3.285  -1.950  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.420  -3.159  -0.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.328  -0.971  -2.428  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.499  -0.742  -0.633  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.897  -1.020   3.176  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.933   0.850  -0.734  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.794   3.850   1.835  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.663   3.792   0.462  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.196   4.685   0.316  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.456   0.654   2.125  1.00  0.00           H  
HETATM   48  H   UNL     1       2.538   1.453  -0.732  1.00  0.00           H  
HETATM   49  H   UNL     1       4.785   1.466  -1.387  1.00  0.00           H  
HETATM   50  H   UNL     1       8.805  -0.073  -0.513  1.00  0.00           H  
HETATM   51  H   UNL     1       8.323  -1.087  -1.894  1.00  0.00           H  
HETATM   52  H   UNL     1      10.403   0.166  -2.393  1.00  0.00           H  
HETATM   53  H   UNL     1       9.074   0.685  -3.457  1.00  0.00           H  
HETATM   54  H   UNL     1       9.556   1.699  -2.076  1.00  0.00           H  
CONECT    1   18   20   24   24                                       
CONECT    2   21   21   22   32                                       
CONECT    3    8   33   34   35                                       
CONECT    4   11    5   36   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6   11    5   40   41                                       
CONECT    7   21    8    8   42                                       
CONECT    8   23    3    7    7                                       
CONECT    9   25   26   27   27                                       
CONECT   10   26   28   29   29                                       
CONECT   11   12    4    6                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   18   18                                       
CONECT   15   14   16   16   43                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   19                                            
CONECT   18   14   14   17    1                                       
CONECT   19   17   44   45   46                                       
CONECT   20    1   21   47                                            
CONECT   21   20    2    2    7                                       
CONECT   22    2   23   23   25                                       
CONECT   23   22   22    8                                            
CONECT   24    1    1                                                 
CONECT   25   22    9   48                                            
CONECT   26    9   10   49                                            
CONECT   27    9    9                                                 
CONECT   28   10   30                                                 
CONECT   29   10   10                                                 
CONECT   30   28   31   50   51                                       
CONECT   31   30   52   53   54                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
