COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.100   2.457   0.603  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.465  -0.832   0.029  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.518  -1.685  -0.566  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.647  -3.029  -0.388  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.553  -2.815   0.910  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.473  -0.587   1.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.352   1.336   0.493  1.00  0.00           C  
HETATM    8  O   UNL     1       3.453   1.842   1.799  1.00  0.00           O  
HETATM    9  C   UNL     1       3.135   1.124   0.874  1.00  0.00           C  
HETATM   10  C   UNL     1       4.030  -0.017   0.463  1.00  0.00           C  
HETATM   11  C   UNL     1       4.482   0.182  -0.958  1.00  0.00           C  
HETATM   12  C   UNL     1       4.645  -1.150  -1.716  1.00  0.00           C  
HETATM   13  C   UNL     1       5.311  -2.246  -0.863  1.00  0.00           C  
HETATM   14  C   UNL     1       6.462  -1.721  -0.047  1.00  0.00           C  
HETATM   15  C   UNL     1       5.939  -1.348   1.355  1.00  0.00           C  
HETATM   16  C   UNL     1       5.275  -0.052   1.373  1.00  0.00           C  
HETATM   17  N   UNL     1       1.982   1.348   0.213  1.00  0.00           N  
HETATM   18  C   UNL     1       1.584   0.487  -0.909  1.00  0.00           C  
HETATM   19  C   UNL     1       0.186  -0.076  -0.623  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.696   1.033  -0.234  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.298   1.894   0.889  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.113   1.308  -1.045  1.00  0.00           S  
HETATM   23  O   UNL     1      -2.339   2.710  -0.995  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.027   0.577  -2.261  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.405   0.562  -0.107  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.635  -3.549   0.327  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.515  -1.417   0.784  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.386   0.763   1.231  1.00  0.00           C  
HETATM   29  H   UNL     1       1.491   2.938   1.499  1.00  0.00           H  
HETATM   30  H   UNL     1       1.043   3.184  -0.207  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.706  -1.283  -1.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.923  -3.690  -0.842  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.337  -3.285   1.485  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.280  -1.017   1.962  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.305   2.410   0.389  1.00  0.00           H  
HETATM   36  H   UNL     1       3.486  -0.957   0.550  1.00  0.00           H  
HETATM   37  H   UNL     1       3.748   0.797  -1.479  1.00  0.00           H  
HETATM   38  H   UNL     1       5.439   0.703  -0.955  1.00  0.00           H  
HETATM   39  H   UNL     1       3.661  -1.498  -2.030  1.00  0.00           H  
HETATM   40  H   UNL     1       5.255  -0.977  -2.603  1.00  0.00           H  
HETATM   41  H   UNL     1       4.566  -2.670  -0.189  1.00  0.00           H  
HETATM   42  H   UNL     1       5.676  -3.033  -1.522  1.00  0.00           H  
HETATM   43  H   UNL     1       7.229  -2.490   0.041  1.00  0.00           H  
HETATM   44  H   UNL     1       6.879  -0.837  -0.530  1.00  0.00           H  
HETATM   45  H   UNL     1       5.233  -2.111   1.683  1.00  0.00           H  
HETATM   46  H   UNL     1       6.778  -1.324   2.050  1.00  0.00           H  
HETATM   47  H   UNL     1       5.979   0.710   1.038  1.00  0.00           H  
HETATM   48  H   UNL     1       4.972   0.175   2.395  1.00  0.00           H  
HETATM   49  H   UNL     1       1.562   1.072  -1.829  1.00  0.00           H  
HETATM   50  H   UNL     1       2.295  -0.333  -1.011  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.205  -0.557  -1.520  1.00  0.00           H  
HETATM   52  H   UNL     1       0.243  -0.801   0.189  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.275   1.310   1.809  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.008   2.714   0.991  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.130   1.399   1.686  1.00  0.00           H  
CONECT    1   17   21   29   30                                       
CONECT    2   27   27    3   25                                       
CONECT    3    4    4    2   31                                       
CONECT    4   26    3    3   32                                       
CONECT    5   26   26   27   33                                       
CONECT    6   27   28   28   34                                       
CONECT    7   28   25   25   35                                       
CONECT    8    9    9                                                 
CONECT    9   10    8    8   17                                       
CONECT   10   11   16    9   36                                       
CONECT   11   12   10   37   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   12   14   41   42                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   10   47   48                                       
CONECT   17    9    1   18                                            
CONECT   18   17   19   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20   19   21   22                                            
CONECT   21    1   20   53   54                                       
CONECT   22   25   20   24   24                                       
CONECT   22   23   23                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    2    7    7   22                                       
CONECT   26    5    5    4                                            
CONECT   27    5    6    2    2                                       
CONECT   28    6    6    7   55                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   28                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
