COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.600  -0.725  -0.324  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.977  -1.639   0.472  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.576  -1.812   0.364  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.716  -2.642   1.028  1.00  0.00           C  
HETATM    5  C   UNL     1       0.621  -2.374   0.491  1.00  0.00           C  
HETATM    6  C   UNL     1       0.462  -1.382  -0.476  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.513  -0.133  -1.338  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.840   0.037  -1.243  1.00  0.00           C  
HETATM    9  C   UNL     1       1.831  -2.997   0.878  1.00  0.00           C  
HETATM   10  CA  UNL     1       2.512  -0.236  -0.384  1.00  0.00           C  
HETATM   11  C   UNL     1       3.868  -0.498  -0.988  1.00  0.00           C  
HETATM   12  C   UNL     1       2.285   1.273  -0.275  1.00  0.00           C  
HETATM   13  C   UNL     1       2.353   1.901  -1.668  1.00  0.00           C  
HETATM   14  C   UNL     1       0.909   1.539   0.339  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.489   0.679   0.016  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.286   2.181   0.475  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.857  -1.053  -0.544  1.00  0.00           N  
HETATM   18  N   UNL     1       1.473  -0.827  -1.238  1.00  0.00           N  
HETATM   19  O   UNL     1      -6.812   0.834   0.208  1.00  0.00           O  
HETATM   20  O   UNL     1       1.814  -3.918   1.669  1.00  0.00           O  
HETATM   21  O   UNL     1       3.959  -1.113  -2.024  1.00  0.00           O  
HETATM   22  OXT UNL     1       4.974  -0.047  -0.375  1.00  0.00           O  
HETATM   23  O   UNL     1       3.350   1.614   2.129  1.00  0.00           O  
HETATM   24  O   UNL     1       3.206   3.481   0.787  1.00  0.00           O  
HETATM   25  N   UNL     1      -4.983  -0.545  -0.236  1.00  0.00           N  
HETATM   26  O   UNL     1      -4.750   1.642   0.069  1.00  0.00           O  
HETATM   27  S   UNL     1       3.568   2.003   0.780  1.00  0.00           S  
HETATM   28  H   UNL     1      -3.547  -2.226   1.177  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.972  -3.355   1.798  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.949   0.457  -2.046  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.333   0.761  -1.874  1.00  0.00           H  
HETATM   32  H   UNL     1       2.770  -2.654   0.468  1.00  0.00           H  
HETATM   33  HA  UNL     1       2.464  -0.684   0.609  1.00  0.00           H  
HETATM   34  H   UNL     1       1.582   1.463  -2.302  1.00  0.00           H  
HETATM   35  H   UNL     1       2.191   2.976  -1.590  1.00  0.00           H  
HETATM   36  H   UNL     1       3.333   1.712  -2.105  1.00  0.00           H  
HETATM   37  H   UNL     1       0.861   1.091   1.331  1.00  0.00           H  
HETATM   38  H   UNL     1       0.747   2.614   0.417  1.00  0.00           H  
HETATM   39  H   UNL     1       0.138   1.100  -0.295  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.812   2.560   1.380  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.035   2.828  -0.365  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.368   2.165   0.611  1.00  0.00           H  
HETATM   43  H   UNL     1       1.868  -1.510  -1.868  1.00  0.00           H  
HETATM   44  HXT UNL     1       5.821  -0.239  -0.801  1.00  0.00           H  
HETATM   45  H   UNL     1       3.802   4.029   1.315  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.580  -1.300  -0.357  1.00  0.00           H  
CONECT    1    2    2    8   25                                       
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5   17   18                                       
CONECT    7    8    8   17   30                                       
CONECT    8    1    7    7   31                                       
CONECT    9    5   20   20   32                                       
CONECT   10   11   12   18   33                                       
CONECT   11   10   21   21   22                                       
CONECT   12   10   13   14   27                                       
CONECT   13   12   34   35   36                                       
CONECT   14   12   37   38   39                                       
CONECT   15   19   25   26   26                                       
CONECT   16   19   40   41   42                                       
CONECT   17    3    6    7                                            
CONECT   18    6   10   43                                            
CONECT   19   15   16                                                 
CONECT   20    9    9                                                 
CONECT   21   11   11                                                 
CONECT   22   11   44                                                 
CONECT   23   27   27                                                 
CONECT   24   27   45                                                 
CONECT   25    1   15   46                                            
CONECT   26   15   15                                                 
CONECT   27   12   23   23   24                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
