COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.000  -1.353   0.030  1.00  0.00           O  
HETATM    2  C   UNL     1       2.097  -0.203  -0.343  1.00  0.00           C  
HETATM    3  N   UNL     1       3.312   0.369  -0.456  1.00  0.00           N  
HETATM    4  C   UNL     1       4.455  -0.359  -0.145  1.00  0.00           C  
HETATM    5  N   UNL     1       4.463  -1.592   0.256  1.00  0.00           N  
HETATM    6  C   UNL     1       5.642  -2.130   0.506  1.00  0.00           C  
HETATM    7  C   UNL     1       6.678  -1.314   0.308  1.00  0.00           C  
HETATM    8  S   UNL     1       6.053   0.238  -0.243  1.00  0.00           S  
HETATM    9  C   UNL     1       0.859   0.585  -0.686  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.325  -0.256  -0.488  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.128  -0.582  -1.658  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.952  -1.847  -1.415  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.594  -1.731  -0.095  1.00  0.00           N  
HETATM   14  S   UNL     1      -4.242  -1.727   0.064  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.714  -1.236  -1.183  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.682  -3.476   0.267  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.476  -1.012   1.270  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.712  -1.620   1.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.589  -0.673   0.752  1.00  0.00           C  
HETATM   20  O   UNL     1       0.112  -0.274   1.658  1.00  0.00           O  
HETATM   21  C   UNL     1       0.769   1.814   0.221  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.391   2.701  -0.236  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.719   2.033   0.129  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.878   2.920  -0.328  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.784   4.280   0.366  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.457   4.948   0.000  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.297   4.062   0.457  1.00  0.00           C  
HETATM   28  H   UNL     1       3.389   1.289  -0.754  1.00  0.00           H  
HETATM   29  H   UNL     1       5.758  -3.149   0.845  1.00  0.00           H  
HETATM   30  H   UNL     1       7.719  -1.562   0.456  1.00  0.00           H  
HETATM   31  H   UNL     1       0.908   0.904  -1.727  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.800   0.249  -1.875  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.469  -0.742  -2.512  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.715  -1.943  -2.188  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.300  -2.720  -1.432  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.188  -3.874   1.153  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.762  -3.568   0.380  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.359  -4.035  -0.611  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.278  -1.237   1.925  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.303  -2.601   1.320  1.00  0.00           H  
HETATM   41  H   UNL     1       0.599   1.496   1.249  1.00  0.00           H  
HETATM   42  H   UNL     1       1.701   2.377   0.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.339   2.839  -1.316  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.786   1.064  -0.365  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.770   1.895   1.209  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.826   3.059  -1.408  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.824   2.444  -0.068  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.611   4.912   0.040  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.836   4.142   1.446  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.405   5.087  -1.079  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.390   5.918   0.495  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.349   3.923   1.537  1.00  0.00           H  
HETATM   53  H   UNL     1       0.649   4.537   0.197  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    1    1    3                                       
CONECT    3    2    4   28                                            
CONECT    4    3    8    5    5                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7   29                                       
CONECT    7    8    6    6   30                                       
CONECT    8    4    7                                                 
CONECT    9   21   10    2   31                                       
CONECT   10   11   19    9                                            
CONECT   11   12   10   32   33                                       
CONECT   12   13   11   34   35                                       
CONECT   13   12   14   18                                            
CONECT   14   17   17   15   15                                       
CONECT   14   13   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   36   37   38                                       
CONECT   17   14   14                                                 
CONECT   18   13   19   39   40                                       
CONECT   19   18   10   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   22    9   41   42                                       
CONECT   22   23   27   21   43                                       
CONECT   23   24   22   44   45                                       
CONECT   24   25   23   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   27   50   51                                       
CONECT   27   26   22   52   53                                       
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
