COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.875  -2.298   0.049  1.00  0.00           C  
HETATM    2  N   UNL     1      -6.579  -0.072  -0.878  1.00  0.00           N1+
HETATM    3  O   UNL     1      -6.616  -3.486   0.147  1.00  0.00           O1-
HETATM    4  N   UNL     1       7.259  -0.987   0.610  1.00  0.00           N  
HETATM    5  C   UNL     1       6.767   0.207   0.887  1.00  0.00           C  
HETATM    6  N   UNL     1       5.493   0.499   0.731  1.00  0.00           N  
HETATM    7  C   UNL     1       4.638  -0.414   0.281  1.00  0.00           C  
HETATM    8  C   UNL     1       5.113  -1.699  -0.028  1.00  0.00           C  
HETATM    9  C   UNL     1       6.481  -1.963   0.154  1.00  0.00           C  
HETATM   10  N   UNL     1       7.006  -3.211  -0.134  1.00  0.00           N  
HETATM   11  N   UNL     1       4.052  -2.424  -0.459  1.00  0.00           N  
HETATM   12  C   UNL     1       2.983  -1.682  -0.434  1.00  0.00           C  
HETATM   13  N   UNL     1       3.293  -0.433   0.015  1.00  0.00           N  
HETATM   14  CA  UNL     1      -5.939  -1.382  -0.696  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.647  -1.212   0.104  1.00  0.00           C  
HETATM   16  S   UNL     1      -2.117  -0.182   0.241  1.00  0.00           S1+
HETATM   17  C   UNL     1      -2.588   1.007   1.529  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.649  -0.384  -0.708  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.115   2.262   0.884  1.00  0.00           C  
HETATM   20  C   UNL     1       2.359   0.684   0.184  1.00  0.00           C  
HETATM   21  C   UNL     1       2.368   1.596  -1.069  1.00  0.00           C  
HETATM   22  O   UNL     1       3.404   2.577  -0.978  1.00  0.00           O  
HETATM   23  C   UNL     1       0.971   2.260  -0.998  1.00  0.00           C  
HETATM   24  O   UNL     1       1.063   3.555  -0.402  1.00  0.00           O  
HETATM   25  C   UNL     1       0.149   1.312  -0.103  1.00  0.00           C  
HETATM   26  O   UNL     1       0.998   0.205   0.241  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.077   0.809  -0.868  1.00  0.00           C  
HETATM   28  OXT UNL     1      -7.893  -1.853   0.551  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.285   2.303  -0.322  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.372   3.238   1.569  1.00  0.00           O1-
HETATM   31  H1  UNL     1      -5.952   0.541  -1.378  1.00  0.00           H  
HETATM   32  H2  UNL     1      -7.431  -0.184  -1.407  1.00  0.00           H  
HETATM   33  H   UNL     1       7.434   0.971   1.256  1.00  0.00           H  
HETATM   34  H   UNL     1       7.952  -3.381  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1       6.428  -3.916  -0.465  1.00  0.00           H  
HETATM   36  H   UNL     1       1.996  -2.008  -0.727  1.00  0.00           H  
HETATM   37  HA  UNL     1      -5.709  -1.812  -1.671  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.865  -0.700   1.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.219  -2.191   0.316  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.361   0.570   2.161  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.716   1.248   2.136  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.431  -0.895  -1.646  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.077   0.596  -0.919  1.00  0.00           H  
HETATM   44  H   UNL     1       2.605   1.257   1.077  1.00  0.00           H  
HETATM   45  H   UNL     1       2.473   1.006  -1.980  1.00  0.00           H  
HETATM   46  H   UNL     1       3.450   3.172  -1.739  1.00  0.00           H  
HETATM   47  H   UNL     1       0.530   2.328  -1.992  1.00  0.00           H  
HETATM   48  H   UNL     1       1.618   4.176  -0.894  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.164   1.834   0.801  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.754   0.194  -1.708  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.649   1.660  -1.238  1.00  0.00           H  
HETATM   52  H3  UNL     1      -6.792   0.326   0.024  1.00  0.00           H  
CONECT    1    3   14   28   28                                       
CONECT    2   14   31   32   52                                       
CONECT    3    1                                                      
CONECT    4    5    5    9                                            
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   11                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   34   35                                            
CONECT   11    8   12   12                                            
CONECT   12   11   11   13   36                                       
CONECT   13    7   12   20                                            
CONECT   14    1    2   15   37                                       
CONECT   15   14   18   38   39                                       
CONECT   16   17   18   27                                            
CONECT   17   16   19   40   41                                       
CONECT   18   15   16   42   43                                       
CONECT   19   17   29   29   30                                       
CONECT   20   13   21   26   44                                       
CONECT   21   20   22   23   45                                       
CONECT   22   21   46                                                 
CONECT   23   21   24   25   47                                       
CONECT   24   23   48                                                 
CONECT   25   23   26   27   49                                       
CONECT   26   20   25                                                 
CONECT   27   16   25   50   51                                       
CONECT   28    1    1                                                 
CONECT   29   19   19                                                 
CONECT   30   19                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52    2                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
