COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.469   2.358   1.321  1.00  0.00           C  
HETATM    2  C   UNL     1       2.836   3.565   1.550  1.00  0.00           C  
HETATM    3  C   UNL     1       2.082   4.151   0.551  1.00  0.00           C  
HETATM    4  C   UNL     1       1.962   3.530  -0.679  1.00  0.00           C  
HETATM    5  C   UNL     1       2.596   2.324  -0.909  1.00  0.00           C  
HETATM    6  C   UNL     1       3.349   1.737   0.091  1.00  0.00           C  
HETATM    7  S   UNL     1       4.156   0.198  -0.201  1.00  0.00           S  
HETATM    8  O   UNL     1       4.324   0.095  -1.609  1.00  0.00           O  
HETATM    9  O   UNL     1       5.238   0.131   0.718  1.00  0.00           O  
HETATM   10  N   UNL     1       3.099  -1.001   0.232  1.00  0.00           N  
HETATM   11  C   UNL     1       1.850  -1.181  -0.512  1.00  0.00           C  
HETATM   12  C   UNL     1       1.900  -2.503  -1.281  1.00  0.00           C  
HETATM   13  C   UNL     1       0.658  -2.626  -2.165  1.00  0.00           C  
HETATM   14  C   UNL     1       3.155  -2.537  -2.155  1.00  0.00           C  
HETATM   15  P   UNL     1       0.447  -1.207   0.652  1.00  0.00           P  
HETATM   16  O   UNL     1       0.595  -0.105   1.628  1.00  0.00           O  
HETATM   17  O   UNL     1       0.423  -2.615   1.432  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.111  -0.997  -0.270  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.260  -0.769   0.715  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.619  -2.074   1.378  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.017  -3.082   1.092  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.606  -2.116   2.286  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.459  -0.236  -0.026  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.986   0.997   0.309  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.028  -0.978  -1.045  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.128  -0.488  -1.725  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.659   0.742  -1.385  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.086   1.486  -0.371  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.661   2.830  -0.005  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.010   3.876  -0.805  1.00  0.00           N  
HETATM   31  H   UNL     1       4.062   1.902   2.100  1.00  0.00           H  
HETATM   32  H   UNL     1       2.930   4.050   2.511  1.00  0.00           H  
HETATM   33  H   UNL     1       1.587   5.094   0.730  1.00  0.00           H  
HETATM   34  H   UNL     1       1.373   3.988  -1.459  1.00  0.00           H  
HETATM   35  H   UNL     1       2.502   1.839  -1.869  1.00  0.00           H  
HETATM   36  H   UNL     1       3.306  -1.584   0.979  1.00  0.00           H  
HETATM   37  H   UNL     1       1.724  -0.357  -1.215  1.00  0.00           H  
HETATM   38  H   UNL     1       1.927  -3.332  -0.574  1.00  0.00           H  
HETATM   39  H   UNL     1       0.544  -1.719  -2.760  1.00  0.00           H  
HETATM   40  H   UNL     1       0.768  -3.484  -2.829  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.223  -2.762  -1.538  1.00  0.00           H  
HETATM   42  H   UNL     1       4.041  -2.477  -1.523  1.00  0.00           H  
HETATM   43  H   UNL     1       3.177  -3.467  -2.723  1.00  0.00           H  
HETATM   44  H   UNL     1       3.141  -1.691  -2.843  1.00  0.00           H  
HETATM   45  H   UNL     1       0.418  -3.387   0.849  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.027  -0.137  -0.935  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.309  -1.893  -0.859  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.951  -0.049   1.473  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.800  -2.976   2.684  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.539   1.578   1.102  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.613  -1.939  -1.310  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.572  -1.067  -2.521  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.518   1.124  -1.917  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.733   2.834  -0.206  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.490   3.023   1.054  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.379   4.787  -0.579  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.008   3.851  -0.686  1.00  0.00           H  
CONECT    1    6    2    2   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    4   33                                       
CONECT    4    3    3    5   34                                       
CONECT    5    4    6    6   35                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   10    8    8                                       
CONECT    7    9    9                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11   36                                            
CONECT   11   10   12   15   37                                       
CONECT   12   11   13   14   38                                       
CONECT   13   12   39   40   41                                       
CONECT   14   12   42   43   44                                       
CONECT   15   11   16   16   18                                       
CONECT   15   17                                                      
CONECT   16   15   15                                                 
CONECT   17   15   45                                                 
CONECT   18   15   19   46   47                                       
CONECT   19   18   23   20   48                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   49                                                 
CONECT   23   19   24   24   25                                       
CONECT   24   23   23   28   50                                       
CONECT   25   23   26   26   51                                       
CONECT   26   25   25   27   52                                       
CONECT   27   26   28   28   53                                       
CONECT   28   24   27   27   29                                       
CONECT   29   28   30   54   55                                       
CONECT   30   29   56   57                                            
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
