COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.458  -0.672   0.341  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.131   1.791   0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.647   2.404   1.331  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.143   2.346   1.055  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.882  -1.030   0.348  1.00  0.00           C  
HETATM    6  C   UNL     1       3.734  -0.368   0.003  1.00  0.00           C  
HETATM    7  C   UNL     1       3.909   0.228  -1.232  1.00  0.00           C  
HETATM    8  C   UNL     1       3.317  -0.405  -2.465  1.00  0.00           C  
HETATM    9  C   UNL     1       4.627   1.404  -1.336  1.00  0.00           C  
HETATM   10  C   UNL     1       4.818   2.054  -2.682  1.00  0.00           C  
HETATM   11  C   UNL     1       5.170   1.985  -0.205  1.00  0.00           C  
HETATM   12  C   UNL     1       0.854   0.520  -0.254  1.00  0.00           C  
HETATM   13  C   UNL     1       4.995   1.389   1.030  1.00  0.00           C  
HETATM   14  C   UNL     1       5.587   2.022   2.263  1.00  0.00           C  
HETATM   15  C   UNL     1       4.277   0.213   1.134  1.00  0.00           C  
HETATM   16  C   UNL     1       4.085  -0.437   2.480  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.085   1.348  -0.837  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.421   0.993  -0.832  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.823  -0.197  -0.240  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.983  -1.813  -0.303  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.371  -0.462  -0.157  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.751   0.046  -0.063  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.215   0.293  -0.118  1.00  0.00           C  
HETATM   24  N   UNL     1       1.408  -1.505   0.937  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.178  -0.555  -0.235  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.679  -1.857  -0.344  1.00  0.00           N  
HETATM   27  O   UNL     1       2.440  -2.225  -1.186  1.00  0.00           O  
HETATM   28  O   UNL     1      -6.957   1.243  -0.033  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.784  -0.817  -0.009  1.00  0.00           O  
HETATM   30  O   UNL     1       3.556  -2.718   0.995  1.00  0.00           O  
HETATM   31  S   UNL     1       2.813  -1.864   0.137  1.00  0.00           S  
HETATM   32  H   UNL     1      -4.278   2.361  -0.889  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.133   3.377   1.272  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.047   1.724   2.083  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.553   1.628   1.626  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.639   3.282   0.814  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.192  -1.956   0.809  1.00  0.00           H  
HETATM   38  H   UNL     1       2.257  -0.162  -2.525  1.00  0.00           H  
HETATM   39  H   UNL     1       3.828  -0.025  -3.350  1.00  0.00           H  
HETATM   40  H   UNL     1       3.439  -1.487  -2.412  1.00  0.00           H  
HETATM   41  H   UNL     1       4.000   2.750  -2.869  1.00  0.00           H  
HETATM   42  H   UNL     1       5.765   2.594  -2.694  1.00  0.00           H  
HETATM   43  H   UNL     1       4.827   1.288  -3.458  1.00  0.00           H  
HETATM   44  H   UNL     1       5.731   2.905  -0.287  1.00  0.00           H  
HETATM   45  H   UNL     1       1.898   0.800  -0.260  1.00  0.00           H  
HETATM   46  H   UNL     1       4.866   2.714   2.698  1.00  0.00           H  
HETATM   47  H   UNL     1       5.830   1.246   2.988  1.00  0.00           H  
HETATM   48  H   UNL     1       6.494   2.564   1.993  1.00  0.00           H  
HETATM   49  H   UNL     1       4.944  -1.070   2.704  1.00  0.00           H  
HETATM   50  H   UNL     1       3.993   0.334   3.246  1.00  0.00           H  
HETATM   51  H   UNL     1       3.181  -1.044   2.465  1.00  0.00           H  
HETATM   52  H   UNL     1       0.225   2.274  -1.299  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.153   1.643  -1.289  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.648  -2.661  -0.367  1.00  0.00           H  
HETATM   55  H   UNL     1       1.245  -1.873   1.819  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.671  -0.436   0.052  1.00  0.00           H  
CONECT    1   12   24    5    5                                       
CONECT    2    4   23    3   32                                       
CONECT    3    4    2   33   34                                       
CONECT    4    2    3   35   36                                       
CONECT    5    1    1   19   37                                       
CONECT    6   31    7    7   15                                       
CONECT    7    8    6    6    9                                       
CONECT    8    7   38   39   40                                       
CONECT    9    7   10   11   11                                       
CONECT   10    9   41   42   43                                       
CONECT   11    9    9   13   44                                       
CONECT   12   17   17    1   45                                       
CONECT   13   15   15   11   14                                       
CONECT   14   13   46   47   48                                       
CONECT   15    6   16   13   13                                       
CONECT   16   15   49   50   51                                       
CONECT   17   12   12   18   52                                       
CONECT   18   17   19   19   53                                       
CONECT   19   18   18    5   25                                       
CONECT   20   26   26   21   54                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   28   28   29                                       
CONECT   23   25    2   21   21                                       
CONECT   24   31    1   55                                            
CONECT   25   19   26   23                                            
CONECT   26   25   20   20                                            
CONECT   27   31   31                                                 
CONECT   28   22   22                                                 
CONECT   29   22   56                                                 
CONECT   30   31   31                                                 
CONECT   31   27   27   30   30                                       
CONECT   31   24    6                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   24                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
