COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.387   5.057   0.294  1.00  0.00           C  
HETATM    2  C   UNL     1       5.562   3.869  -0.202  1.00  0.00           C  
HETATM    3  C   UNL     1       4.180   3.932   0.397  1.00  0.00           C  
HETATM    4  O   UNL     1       3.885   4.838   1.147  1.00  0.00           O  
HETATM    5  N   UNL     1       3.273   2.981   0.099  1.00  0.00           N  
HETATM    6  C   UNL     1       3.497   1.829  -0.794  1.00  0.00           C  
HETATM    7  C   UNL     1       2.084   1.430  -1.289  1.00  0.00           C  
HETATM    8  C   UNL     1       1.227   1.680  -0.020  1.00  0.00           C  
HETATM    9  C   UNL     1       1.897   2.918   0.614  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.163   1.968  -0.381  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.059   0.930  -0.567  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.312   1.209  -0.894  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.199   0.242  -1.080  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.621   0.574  -1.452  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.394   0.852  -0.234  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.714   1.407  -0.563  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.461   1.737   0.733  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.554   0.557   1.536  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.286  -0.011   1.876  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.528  -0.357   0.592  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.805  -1.074  -0.930  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.478  -1.337  -0.585  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.038  -2.643  -0.424  1.00  0.00           N  
HETATM   24  C   UNL     1       0.299  -2.898  -0.184  1.00  0.00           C  
HETATM   25  N   UNL     1       0.824  -4.073  -0.122  1.00  0.00           N  
HETATM   26  C   UNL     1       2.146  -4.158   0.120  1.00  0.00           C  
HETATM   27  C   UNL     1       2.956  -5.308   0.235  1.00  0.00           C  
HETATM   28  C   UNL     1       4.302  -5.149   0.489  1.00  0.00           C  
HETATM   29  C   UNL     1       4.828  -3.875   0.625  1.00  0.00           C  
HETATM   30  N   UNL     1       4.060  -2.813   0.515  1.00  0.00           N  
HETATM   31  C   UNL     1       2.757  -2.908   0.271  1.00  0.00           C  
HETATM   32  S   UNL     1       1.524  -1.664   0.073  1.00  0.00           S  
HETATM   33  N   UNL     1      -0.641  -0.318  -0.419  1.00  0.00           N  
HETATM   34  H   UNL     1       6.460   5.020   1.381  1.00  0.00           H  
HETATM   35  H   UNL     1       7.386   5.012  -0.139  1.00  0.00           H  
HETATM   36  H   UNL     1       5.903   5.987  -0.006  1.00  0.00           H  
HETATM   37  H   UNL     1       5.489   3.906  -1.289  1.00  0.00           H  
HETATM   38  H   UNL     1       6.046   2.940   0.098  1.00  0.00           H  
HETATM   39  H   UNL     1       4.126   2.118  -1.635  1.00  0.00           H  
HETATM   40  H   UNL     1       3.954   1.006  -0.243  1.00  0.00           H  
HETATM   41  H   UNL     1       1.765   2.073  -2.109  1.00  0.00           H  
HETATM   42  H   UNL     1       2.051   0.381  -1.582  1.00  0.00           H  
HETATM   43  H   UNL     1       1.282   0.827   0.657  1.00  0.00           H  
HETATM   44  H   UNL     1       1.907   2.818   1.700  1.00  0.00           H  
HETATM   45  H   UNL     1       1.357   3.820   0.328  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.456   2.887  -0.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.632   1.452  -2.097  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.065  -0.270  -1.980  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.590   2.316  -1.152  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.284   0.676  -1.136  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.918   2.507   1.280  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.462   2.096   0.495  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.709   0.709   2.456  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.438  -0.915   2.464  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.079  -1.117   0.037  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.538  -0.737   0.845  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.509  -1.880  -1.076  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.670  -3.378  -0.480  1.00  0.00           H  
HETATM   59  H   UNL     1       2.530  -6.294   0.127  1.00  0.00           H  
HETATM   60  H   UNL     1       4.942  -6.014   0.582  1.00  0.00           H  
HETATM   61  H   UNL     1       5.882  -3.752   0.825  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1   37   38                                       
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    9    6    3                                            
CONECT    6    7    5   39   40                                       
CONECT    7    8    6   41   42                                       
CONECT    8   10    7    9   43                                       
CONECT    9    8    5   44   45                                       
CONECT   10   11    8   46                                            
CONECT   11   12   12   33   10                                       
CONECT   12   13   11   11                                            
CONECT   13   14   21   21   12                                       
CONECT   14   15   13   47   48                                       
CONECT   15   20   16   14                                            
CONECT   16   17   15   49   50                                       
CONECT   17   18   16   51   52                                       
CONECT   18   19   17                                                 
CONECT   19   18   20   53   54                                       
CONECT   20   19   15   55   56                                       
CONECT   21   13   13   22   57                                       
CONECT   22   21   23   33   33                                       
CONECT   23   22   24   58                                            
CONECT   24   23   25   25   32                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   59                                       
CONECT   28   27   29   29   60                                       
CONECT   29   28   28   30   61                                       
CONECT   30   31   31   29                                            
CONECT   31   26   32   30   30                                       
CONECT   32   24   31                                                 
CONECT   33   22   22   11                                            
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
