COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.361   0.840   0.113  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.565   1.416   0.141  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.700   2.725   0.105  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.624   3.556   0.038  1.00  0.00           N  
HETATM    5  C   UNL     1       0.627   3.048   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1       0.789   1.644   0.044  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.247  -0.530   0.157  1.00  0.00           N  
HETATM    8  N   UNL     1      -2.956   3.266   0.135  1.00  0.00           N  
HETATM    9  O   UNL     1       1.596   3.786  -0.053  1.00  0.00           O  
HETATM   10  C   UNL     1       2.130   1.040   0.012  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.441  -1.360   0.336  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.112  -1.657  -1.029  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.908  -2.955  -0.784  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.239  -3.664   0.407  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.058  -2.772   0.843  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.991  -0.592  -1.397  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.266  -2.643  -0.467  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.725  -5.039  -0.024  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.211  -5.733   1.115  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.128   2.390   0.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.451   2.935  -0.335  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.247   2.784   1.174  1.00  0.00           C  
HETATM   23  S   UNL     1       3.639   1.939   0.082  1.00  0.00           S  
HETATM   24  C   UNL     1       4.555   0.437  -0.013  1.00  0.00           C  
HETATM   25  C   UNL     1       3.652  -0.629  -0.090  1.00  0.00           C  
HETATM   26  N   UNL     1       2.367  -0.230  -0.067  1.00  0.00           N  
HETATM   27  C   UNL     1       5.927   0.199  -0.025  1.00  0.00           C  
HETATM   28  C   UNL     1       6.407  -1.089  -0.113  1.00  0.00           C  
HETATM   29  C   UNL     1       5.522  -2.154  -0.191  1.00  0.00           C  
HETATM   30  C   UNL     1       4.167  -1.940  -0.174  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.756   4.516   0.013  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.071   4.228   0.110  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.145  -0.879   1.015  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.356  -1.813  -1.799  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.868  -3.590  -1.668  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.950  -3.771   1.226  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.133  -3.108   0.375  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.960  -2.773   1.929  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.438  -0.726  -2.243  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.737  -2.176  -1.170  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.543  -5.612  -0.460  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.933  -4.916  -0.763  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.867  -6.615   0.915  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.930   1.327   0.073  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.450   3.946  -0.744  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.124   2.231  -0.824  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.784   1.980   1.677  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.110   3.695   1.757  1.00  0.00           H  
HETATM   49  H   UNL     1       6.617   1.028   0.035  1.00  0.00           H  
HETATM   50  H   UNL     1       7.472  -1.269  -0.127  1.00  0.00           H  
HETATM   51  H   UNL     1       5.904  -3.162  -0.260  1.00  0.00           H  
HETATM   52  H   UNL     1       3.491  -2.780  -0.235  1.00  0.00           H  
HETATM   53  H   UNL     1       0.625  -0.948   0.070  1.00  0.00           H  
CONECT    1    6    6    7    2                                       
CONECT    2    1    3    3                                            
CONECT    3    4    2    2    8                                       
CONECT    4    5    3   31                                            
CONECT    5    9    9    6    4                                       
CONECT    6   10    5    1    1                                       
CONECT    7    1   11   53                                            
CONECT    8    3   20   32                                            
CONECT    9    5    5                                                 
CONECT   10   23   26   26    6                                       
CONECT   11    7   15   12   33                                       
CONECT   12   11   13   16   34                                       
CONECT   13   14   12   17   35                                       
CONECT   14   15   18   13   36                                       
CONECT   15   11   14   37   38                                       
CONECT   16   12   39                                                 
CONECT   17   13   40                                                 
CONECT   18   19   14   41   42                                       
CONECT   19   18   43                                                 
CONECT   20    8   21   22   44                                       
CONECT   21   20   22   45   46                                       
CONECT   22   20   21   47   48                                       
CONECT   23   24   10                                                 
CONECT   24   27   27   25   23                                       
CONECT   25   30   30   24   26                                       
CONECT   26   25   10   10                                            
CONECT   27   28   24   24   49                                       
CONECT   28   29   29   27   50                                       
CONECT   29   28   28   30   51                                       
CONECT   30   29   25   25   52                                       
CONECT   31    4                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53    7                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
