COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.411  -0.400   0.641  1.00  0.00           C  
HETATM    2  N   UNL     1       4.546  -0.261   0.255  1.00  0.00           N  
HETATM    3  C   UNL     1       2.545  -1.501   0.767  1.00  0.00           C  
HETATM    4  C   UNL     1       3.175  -0.322   0.387  1.00  0.00           C  
HETATM    5  C   UNL     1       2.400   0.825   0.129  1.00  0.00           C  
HETATM    6  C   UNL     1       1.009   0.769   0.261  1.00  0.00           C  
HETATM    7  C   UNL     1       3.073   2.060  -0.277  1.00  0.00           C  
HETATM    8  C   UNL     1       5.351  -1.457   0.519  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.088  -0.460   0.784  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.386   1.298   1.586  1.00  0.00           C  
HETATM   11  C   UNL     1       2.281   3.310  -0.562  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.267   0.014  -0.097  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.596   0.220   1.229  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.845   2.168   0.615  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.516   1.961  -0.711  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.726   0.884  -1.067  1.00  0.00           C  
HETATM   17  C   UNL     1       5.515  -2.257  -0.775  1.00  0.00           C  
HETATM   18  C   UNL     1       1.172  -1.533   0.892  1.00  0.00           C  
HETATM   19  C   UNL     1       4.424   2.055  -0.389  1.00  0.00           C  
HETATM   20  C   UNL     1       5.155   0.878  -0.119  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.685  -0.854  -0.494  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.409  -2.325   0.481  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.545  -1.632  -1.917  1.00  0.00           O  
HETATM   24  O   UNL     1       6.369   0.896  -0.225  1.00  0.00           O  
HETATM   25  S   UNL     1      -3.260  -1.360  -0.551  1.00  0.00           S  
HETATM   26  H   UNL     1       3.128  -2.389   0.964  1.00  0.00           H  
HETATM   27  H   UNL     1       0.410   1.645   0.064  1.00  0.00           H  
HETATM   28  H   UNL     1       6.332  -1.160   0.889  1.00  0.00           H  
HETATM   29  H   UNL     1       4.851  -2.073   1.266  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.351  -1.191   1.549  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.465   0.521   1.075  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.647   1.456   2.621  1.00  0.00           H  
HETATM   33  H   UNL     1       2.174   3.890   0.355  1.00  0.00           H  
HETATM   34  H   UNL     1       2.803   3.908  -1.310  1.00  0.00           H  
HETATM   35  H   UNL     1       1.295   3.038  -0.938  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.237  -0.460   1.987  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.462   3.010   0.894  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.875   2.642  -1.469  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.468   0.723  -2.104  1.00  0.00           H  
HETATM   40  H   UNL     1       6.113  -3.146  -0.579  1.00  0.00           H  
HETATM   41  H   UNL     1       4.533  -2.553  -1.146  1.00  0.00           H  
HETATM   42  H   UNL     1       6.014  -1.640  -1.523  1.00  0.00           H  
HETATM   43  H   UNL     1       0.684  -2.450   1.187  1.00  0.00           H  
HETATM   44  H   UNL     1       4.943   2.954  -0.686  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.157  -0.817  -1.307  1.00  0.00           H  
CONECT    1   18   18    6    9                                       
CONECT    2    8   20    4                                            
CONECT    3    4    4   18   26                                       
CONECT    4    2    3    3    5                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   27                                       
CONECT    7   19   19    5   11                                       
CONECT    8    2   17   28   29                                       
CONECT    9    1   21   30   31                                       
CONECT   10   13   13   14   32                                       
CONECT   11    7   33   34   35                                       
CONECT   12   25   13   16   16                                       
CONECT   13   10   10   12   36                                       
CONECT   14   10   15   15   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   12   12   15   39                                       
CONECT   17    8   40   41   42                                       
CONECT   18    3    1    1   43                                       
CONECT   19   20    7    7   44                                       
CONECT   20   24   24    2   19                                       
CONECT   21    9   25   45                                            
CONECT   22   25   25                                                 
CONECT   23   25   25                                                 
CONECT   24   20   20                                                 
CONECT   25   21   23   23   12                                       
CONECT   25   22   22                                                 
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
