COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.958  -1.513  -0.741  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.158  -0.368  -1.088  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.119   0.463  -1.304  1.00  0.00           N  
HETATM    4  C   UNL     1       0.185   0.043  -1.011  1.00  0.00           C  
HETATM    5  C   UNL     1       0.396  -1.157  -0.345  1.00  0.00           C  
HETATM    6  C   UNL     1       1.681  -1.570  -0.056  1.00  0.00           C  
HETATM    7  C   UNL     1       2.763  -0.785  -0.432  1.00  0.00           C  
HETATM    8  N   UNL     1       4.067  -1.204  -0.140  1.00  0.00           N  
HETATM    9  C   UNL     1       5.014  -0.296   0.167  1.00  0.00           C  
HETATM   10  C   UNL     1       6.415  -0.726   0.362  1.00  0.00           C  
HETATM   11  C   UNL     1       7.398   0.213   0.679  1.00  0.00           C  
HETATM   12  C   UNL     1       8.704  -0.195   0.860  1.00  0.00           C  
HETATM   13  C   UNL     1       9.039  -1.531   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1       8.069  -2.466   0.412  1.00  0.00           C  
HETATM   15  C   UNL     1       6.759  -2.072   0.235  1.00  0.00           C  
HETATM   16  O   UNL     1       4.716   0.877   0.283  1.00  0.00           O  
HETATM   17  C   UNL     1       2.553   0.415  -1.098  1.00  0.00           C  
HETATM   18  C   UNL     1       1.268   0.825  -1.391  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.353   1.804  -1.844  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.400   2.800  -0.715  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.326   3.483  -0.315  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.764   4.543   1.018  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.429   3.982   0.957  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.562   3.079  -0.016  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.569   0.124  -1.283  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.511  -0.927  -0.892  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.048  -1.128   0.357  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.913  -0.482   1.582  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.601  -0.940   2.670  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.436  -2.045   2.565  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.585  -2.696   1.376  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.891  -2.247   0.244  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.837  -2.672  -1.033  1.00  0.00           N  
HETATM   34  N   UNL     1      -5.049  -1.923  -1.721  1.00  0.00           N  
HETATM   35  H   UNL     1      -0.446  -1.768  -0.053  1.00  0.00           H  
HETATM   36  H   UNL     1       1.844  -2.504   0.462  1.00  0.00           H  
HETATM   37  H   UNL     1       4.288  -2.149  -0.157  1.00  0.00           H  
HETATM   38  H   UNL     1       7.138   1.256   0.783  1.00  0.00           H  
HETATM   39  H   UNL     1       9.466   0.530   1.105  1.00  0.00           H  
HETATM   40  H   UNL     1      10.063  -1.845   0.869  1.00  0.00           H  
HETATM   41  H   UNL     1       8.338  -3.507   0.309  1.00  0.00           H  
HETATM   42  H   UNL     1       6.003  -2.803  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1       3.395   1.025  -1.390  1.00  0.00           H  
HETATM   44  H   UNL     1       1.104   1.759  -1.910  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.545   2.066  -2.527  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.301   1.819  -2.382  1.00  0.00           H  
HETATM   47  H   UNL     1       0.661   3.399  -0.745  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.224   4.319   1.605  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.503   2.597  -0.237  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.734   1.008  -0.667  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.723   0.378  -2.332  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.265   0.377   1.673  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.495  -0.437   3.621  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.972  -2.394   3.436  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.237  -3.554   1.306  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   25    3    1    1                                       
CONECT    3    4    2   19                                            
CONECT    4   18   18    5    3                                       
CONECT    5    6    6    4   35                                       
CONECT    6    7    5    5   36                                       
CONECT    7    8   17   17    6                                       
CONECT    8    9    7   37                                            
CONECT    9   10    8   16   16                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   12   12   14   40                                       
CONECT   14   13   15   15   41                                       
CONECT   15   14   14   10   42                                       
CONECT   16    9    9                                                 
CONECT   17    7    7   18   43                                       
CONECT   18   17    4    4   44                                       
CONECT   19   20    3   45   46                                       
CONECT   20   24   21   21   19                                       
CONECT   21   22   20   20   47                                       
CONECT   22   23   21                                                 
CONECT   23   22   24   24   48                                       
CONECT   24   23   23   20   49                                       
CONECT   25   26    2   50   51                                       
CONECT   26   25   34   27                                            
CONECT   27   26   32   32   28                                       
CONECT   28   27   29   29   52                                       
CONECT   29   28   28   30   53                                       
CONECT   30   31   31   29   54                                       
CONECT   31   32   30   30   55                                       
CONECT   32   33   27   27   31                                       
CONECT   33   34   34   32                                            
CONECT   34   26   33   33                                            
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
