COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.572   2.278  -2.013  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.784  -1.851   0.130  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.946  -3.218  -0.113  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.200  -2.906  -0.397  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.040  -1.530  -0.162  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.213  -0.632  -0.190  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.159   1.542  -0.006  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.314   1.246  -0.725  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.394   2.108  -0.621  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.291   3.224   0.188  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.132   2.684   0.786  1.00  0.00           C  
HETATM   12  C   UNL     1       5.535   0.119  -2.426  1.00  0.00           C  
HETATM   13  C   UNL     1       5.091   2.302  -0.570  1.00  0.00           C  
HETATM   14  C   UNL     1       6.103   0.032  -1.005  1.00  0.00           C  
HETATM   15  C   UNL     1       3.083  -0.285   0.951  1.00  0.00           C  
HETATM   16  C   UNL     1       2.938  -1.618   0.609  1.00  0.00           C  
HETATM   17  C   UNL     1       1.685  -2.131   0.342  1.00  0.00           C  
HETATM   18  C   UNL     1       0.565  -1.305   0.417  1.00  0.00           C  
HETATM   19  C   UNL     1       0.718   0.037   0.762  1.00  0.00           C  
HETATM   20  C   UNL     1       1.975   0.540   1.027  1.00  0.00           C  
HETATM   21  N   UNL     1       5.311   0.914  -0.133  1.00  0.00           N  
HETATM   22  N   UNL     1      -2.142  -3.710  -0.370  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.833  -1.041   0.101  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.044   0.700  -0.075  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.182   3.477   0.857  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.454  -3.421  -0.670  1.00  0.00           N  
HETATM   27  O   UNL     1       5.454   1.491  -2.817  1.00  0.00           O  
HETATM   28  O   UNL     1       4.487   1.506   2.117  1.00  0.00           O  
HETATM   29  O   UNL     1       5.489  -0.743   1.686  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.330  -1.095  -0.317  1.00  0.00           O  
HETATM   31  S   UNL     1       4.685   0.362   1.297  1.00  0.00           S  
HETATM   32  H   UNL     1       3.573   1.842  -2.033  1.00  0.00           H  
HETATM   33  H   UNL     1       4.534   3.296  -2.403  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.088  -3.874  -0.092  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.366   0.367  -1.350  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.305   1.910  -1.164  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.129   3.899   0.273  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.242   2.923   1.348  1.00  0.00           H  
HETATM   39  H   UNL     1       6.189  -0.418  -3.113  1.00  0.00           H  
HETATM   40  H   UNL     1       4.540  -0.325  -2.448  1.00  0.00           H  
HETATM   41  H   UNL     1       6.030   2.854  -0.527  1.00  0.00           H  
HETATM   42  H   UNL     1       6.037  -0.995  -0.645  1.00  0.00           H  
HETATM   43  H   UNL     1       3.806  -2.257   0.550  1.00  0.00           H  
HETATM   44  H   UNL     1       1.573  -3.171   0.074  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.146   0.682   0.822  1.00  0.00           H  
HETATM   46  H   UNL     1       2.095   1.579   1.295  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.151   1.075  -0.039  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.234  -2.846  -0.626  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.553  -4.356  -0.906  1.00  0.00           H  
HETATM   50  H   UNL     1       4.355   2.779   0.077  1.00  0.00           H  
HETATM   51  H   UNL     1       7.144   0.355  -1.005  1.00  0.00           H  
CONECT    1   13   27   32   33                                       
CONECT    2    3    3   18   23                                       
CONECT    3    2    2   22   34                                       
CONECT    4    5   22   22   26                                       
CONECT    5    4    6   23   23                                       
CONECT    6    5   24   30   30                                       
CONECT    7    8    8   11   24                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   25   37                                       
CONECT   11    7   25   25   38                                       
CONECT   12   14   27   39   40                                       
CONECT   13    1   21   41   50                                       
CONECT   14   12   21   42   51                                       
CONECT   15   16   16   20   31                                       
CONECT   16   15   15   17   43                                       
CONECT   17   16   18   18   44                                       
CONECT   18    2   17   17   19                                       
CONECT   19   18   20   20   45                                       
CONECT   20   15   19   19   46                                       
CONECT   21   13   14   31                                            
CONECT   22    3    4    4                                            
CONECT   23    2    5    5                                            
CONECT   24    6    7   47                                            
CONECT   25   10   11   11                                            
CONECT   26    4   48   49                                            
CONECT   27    1   12                                                 
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30    6    6                                                 
CONECT   31   15   21   28   28                                       
CONECT   31   29   29                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
