COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.537   0.112  -1.111  1.00  0.00           C  
HETATM    2  O   UNL     1       0.447  -2.616  -0.734  1.00  0.00           O  
HETATM    3  N   UNL     1      -0.127  -0.239  -0.399  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.070  -0.824   0.933  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.538  -2.079   0.592  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.794  -1.324   0.887  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.529   0.081   0.919  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.391   0.752   1.481  1.00  0.00           O  
HETATM    9  C   UNL     1       6.934  -1.202   1.329  1.00  0.00           C  
HETATM   10  O   UNL     1       6.409  -0.409   0.262  1.00  0.00           O  
HETATM   11  C   UNL     1       5.112  -0.623  -0.084  1.00  0.00           C  
HETATM   12  C   UNL     1       4.361  -1.575   0.589  1.00  0.00           C  
HETATM   13  C   UNL     1       3.043  -1.790   0.235  1.00  0.00           C  
HETATM   14  C   UNL     1       2.472  -1.056  -0.789  1.00  0.00           C  
HETATM   15  C   UNL     1       3.219  -0.107  -1.461  1.00  0.00           C  
HETATM   16  S   UNL     1       0.791  -1.333  -1.238  1.00  0.00           S  
HETATM   17  O   UNL     1       0.679  -0.982  -2.610  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.587  -0.555   0.956  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.897  -2.331   0.569  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.158  -1.310   0.939  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.322  -0.056   1.220  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.959   0.187   1.247  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.479   1.044  -1.011  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.334   2.160   0.025  1.00  0.00           C  
HETATM   25  C   UNL     1       1.079   2.178   0.551  1.00  0.00           C  
HETATM   26  C   UNL     1       2.076   2.909   0.050  1.00  0.00           C  
HETATM   27  C   UNL     1       3.290   2.761   0.700  1.00  0.00           C  
HETATM   28  C   UNL     1       3.278   1.911   1.727  1.00  0.00           C  
HETATM   29  S   UNL     1       1.662   1.244   1.922  1.00  0.00           S  
HETATM   30  C   UNL     1      -1.903   0.994  -1.500  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.520  -0.049  -1.463  1.00  0.00           O  
HETATM   32  N   UNL     1      -2.492   2.109  -1.977  1.00  0.00           N  
HETATM   33  O   UNL     1      -3.831   2.062  -2.436  1.00  0.00           O  
HETATM   34  H   UNL     1       5.119   0.857  -1.634  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.840  -2.865   0.343  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.419   0.249   1.525  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.694   0.419  -0.104  1.00  0.00           H  
HETATM   38  H   UNL     1       6.355  -1.022   2.235  1.00  0.00           H  
HETATM   39  H   UNL     1       6.872  -2.257   1.062  1.00  0.00           H  
HETATM   40  H   UNL     1       7.976  -0.932   1.503  1.00  0.00           H  
HETATM   41  H   UNL     1       4.806  -2.148   1.389  1.00  0.00           H  
HETATM   42  H   UNL     1       2.457  -2.531   0.759  1.00  0.00           H  
HETATM   43  H   UNL     1       2.770   0.468  -2.257  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.063  -1.439   1.320  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.381   0.287   1.615  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.260  -3.312   0.302  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.591   1.169   1.504  1.00  0.00           H  
HETATM   48  H   UNL     1       0.187   1.240  -1.852  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.560   3.120  -0.440  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.026   1.984   0.849  1.00  0.00           H  
HETATM   51  H   UNL     1       1.947   3.566  -0.797  1.00  0.00           H  
HETATM   52  H   UNL     1       4.179   3.295   0.397  1.00  0.00           H  
HETATM   53  H   UNL     1       4.129   1.671   2.347  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.998   2.943  -2.006  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.166   2.909  -2.759  1.00  0.00           H  
CONECT    1   11   15   15   34                                       
CONECT    2   16   16                                                 
CONECT    3   18   16   23                                            
CONECT    4   18   22    5    5                                       
CONECT    5    4    4   19   35                                       
CONECT    6   21   20   19   19                                       
CONECT    7    8   20   36   37                                       
CONECT    8   21    7                                                 
CONECT    9   10   38   39   40                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   12    1                                       
CONECT   12   11   11   13   41                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   16                                       
CONECT   15    1    1   14   43                                       
CONECT   16   14    2    2    3                                       
CONECT   16   17   17                                                 
CONECT   17   16   16                                                 
CONECT   18    4    3   44   45                                       
CONECT   19    6    6    5   46                                       
CONECT   20    7    6                                                 
CONECT   21   22   22    8    6                                       
CONECT   22   21   21    4   47                                       
CONECT   23    3   30   24   48                                       
CONECT   24   23   25   49   50                                       
CONECT   25   24   29   26   26                                       
CONECT   26   25   25   27   51                                       
CONECT   27   28   28   26   52                                       
CONECT   28   29   27   27   53                                       
CONECT   29   25   28                                                 
CONECT   30   31   31   23   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   54                                            
CONECT   33   32   55                                                 
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
