COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.585   0.832  -2.224  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.075   2.400   0.160  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.890   2.107   0.808  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.280   0.882   0.613  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.987   0.563   1.320  1.00  0.00           C  
HETATM    6  C   UNL     1       0.175   0.970   0.451  1.00  0.00           C  
HETATM    7  C   UNL     1       2.561  -1.255   1.800  1.00  0.00           C  
HETATM    8  C   UNL     1       4.683   0.237  -1.018  1.00  0.00           C  
HETATM    9  O   UNL     1       5.775   0.028  -0.532  1.00  0.00           O  
HETATM   10  C   UNL     1       3.437  -0.167  -0.274  1.00  0.00           C  
HETATM   11  C   UNL     1       3.825  -0.814   1.058  1.00  0.00           C  
HETATM   12  C   UNL     1       1.692  -0.028   2.093  1.00  0.00           C  
HETATM   13  C   UNL     1       2.578   1.072  -0.004  1.00  0.00           C  
HETATM   14  N   UNL     1       1.435   0.682   0.833  1.00  0.00           N  
HETATM   15  O   UNL     1      -0.024   1.556  -0.592  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.855  -0.050  -0.230  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.073  -1.609  -0.484  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.873  -2.245  -1.472  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.715  -1.282  -0.742  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.232  -2.460   1.110  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.653   1.466  -0.679  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.040   0.243  -0.879  1.00  0.00           C  
HETATM   23  H   UNL     1       5.387   1.092  -2.703  1.00  0.00           H  
HETATM   24  H   UNL     1       3.713   0.996  -2.614  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.552   3.357   0.312  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.440   2.835   1.467  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.945   1.108   2.263  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.936  -0.508   1.517  1.00  0.00           H  
HETATM   29  H   UNL     1       2.002  -1.957   1.181  1.00  0.00           H  
HETATM   30  H   UNL     1       2.839  -1.737   2.737  1.00  0.00           H  
HETATM   31  H   UNL     1       2.870  -0.879  -0.873  1.00  0.00           H  
HETATM   32  H   UNL     1       4.370  -0.093   1.667  1.00  0.00           H  
HETATM   33  H   UNL     1       4.456  -1.682   0.870  1.00  0.00           H  
HETATM   34  H   UNL     1       0.746  -0.346   2.533  1.00  0.00           H  
HETATM   35  H   UNL     1       2.213   0.632   2.787  1.00  0.00           H  
HETATM   36  H   UNL     1       3.172   1.823   0.517  1.00  0.00           H  
HETATM   37  H   UNL     1       2.219   1.481  -0.948  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.280  -2.479   1.408  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.863  -3.481   1.015  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.649  -1.932   1.863  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.578   1.695  -1.186  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.489  -0.486  -1.538  1.00  0.00           H  
CONECT    1    8   23   24                                            
CONECT    2   21   21    3   25                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3   16    5                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5   15   15   14                                       
CONECT    7   12   11   29   30                                       
CONECT    8   10    1    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   13   31                                       
CONECT   11    7   10   32   33                                       
CONECT   12   14    7   34   35                                       
CONECT   13   10   14   36   37                                       
CONECT   14    6   12   13                                            
CONECT   15    6    6                                                 
CONECT   16   17   22   22    4                                       
CONECT   17   20   18   18   19                                       
CONECT   17   19   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   38   39   40                                       
CONECT   21   22    2    2   41                                       
CONECT   22   16   16   21   42                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
