COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.321  -0.986  -1.702  1.00  0.00           O  
HETATM    2  C   UNL     1      -9.447  -0.874  -0.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.128  -1.276   0.380  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.108  -0.344   0.016  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.829  -0.630   0.585  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.821   0.427   0.130  1.00  0.00           C  
HETATM    7  S   UNL     1      -3.197   0.064   0.853  1.00  0.00           S  
HETATM    8  C   UNL     1      -2.155   1.403   0.209  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.729   1.237   0.737  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.086  -0.040   0.153  1.00  0.00           C  
HETATM   11  C   UNL     1       0.163   2.395   0.243  1.00  0.00           C  
HETATM   12  O   UNL     1       0.736   3.088   1.354  1.00  0.00           O  
HETATM   13  C   UNL     1       1.269   1.720  -0.597  1.00  0.00           C  
HETATM   14  N   UNL     1       1.334   0.328  -0.082  1.00  0.00           N  
HETATM   15  C   UNL     1       1.954  -0.569  -1.065  1.00  0.00           C  
HETATM   16  C   UNL     1       3.442  -0.327  -1.097  1.00  0.00           C  
HETATM   17  C   UNL     1       4.114   0.406  -2.004  1.00  0.00           C  
HETATM   18  N   UNL     1       5.446   0.399  -1.710  1.00  0.00           N  
HETATM   19  C   UNL     1       5.671  -0.356  -0.583  1.00  0.00           C  
HETATM   20  C   UNL     1       4.424  -0.838  -0.147  1.00  0.00           C  
HETATM   21  N   UNL     1       4.369  -1.607   0.944  1.00  0.00           N  
HETATM   22  C   UNL     1       5.467  -1.909   1.602  1.00  0.00           C  
HETATM   23  N   UNL     1       6.658  -1.477   1.227  1.00  0.00           N  
HETATM   24  C   UNL     1       6.807  -0.703   0.156  1.00  0.00           C  
HETATM   25  N   UNL     1       8.062  -0.258  -0.226  1.00  0.00           N  
HETATM   26  H   UNL     1     -10.121  -0.746  -2.189  1.00  0.00           H  
HETATM   27  H   UNL     1      -9.686   0.157  -0.020  1.00  0.00           H  
HETATM   28  H   UNL     1     -10.244  -1.532   0.064  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.251  -1.276   1.463  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.844  -2.274   0.046  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.904  -0.616   1.672  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.497  -1.614   0.256  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.746   0.414  -0.957  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.153   1.412   0.459  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.147   1.365  -0.880  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.554   2.363   0.537  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.730   1.196   1.826  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.153  -0.860   0.869  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.568  -0.314  -0.785  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.416   3.082  -0.375  1.00  0.00           H  
HETATM   41  H   UNL     1       1.307   3.827   1.104  1.00  0.00           H  
HETATM   42  H   UNL     1       0.999   1.722  -1.653  1.00  0.00           H  
HETATM   43  H   UNL     1       2.222   2.226  -0.446  1.00  0.00           H  
HETATM   44  H   UNL     1       1.761  -1.604  -0.786  1.00  0.00           H  
HETATM   45  H   UNL     1       1.534  -0.374  -2.052  1.00  0.00           H  
HETATM   46  H   UNL     1       3.666   0.923  -2.839  1.00  0.00           H  
HETATM   47  H   UNL     1       6.132   0.857  -2.221  1.00  0.00           H  
HETATM   48  H   UNL     1       5.393  -2.535   2.479  1.00  0.00           H  
HETATM   49  H   UNL     1       8.844  -0.509   0.291  1.00  0.00           H  
HETATM   50  H   UNL     1       8.160   0.306  -1.009  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    3    1   27   28                                       
CONECT    3    2    4   29   30                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   31   32                                       
CONECT    6    7    5   33   34                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   35   36                                       
CONECT    9    8   11   10   37                                       
CONECT   10    9   14   38   39                                       
CONECT   11    9   13   12   40                                       
CONECT   12   11   41                                                 
CONECT   13   11   14   42   43                                       
CONECT   14   13   10   15                                            
CONECT   15   14   16   44   45                                       
CONECT   16   20   15   17   17                                       
CONECT   17   16   16   18   46                                       
CONECT   18   19   17   47                                            
CONECT   19   24   24   20   18                                       
CONECT   20   21   21   19   16                                       
CONECT   21   22   20   20                                            
CONECT   22   23   23   21   48                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   19   19                                       
CONECT   25   24   49   50                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
