COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.510  -1.973   7.652  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.288  -1.578   6.514  1.00  0.00           C  
HETATM    3  CA  UNL     1      -3.252  -1.685   5.351  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.963  -2.932   5.495  1.00  0.00           N  
HETATM    5  CB  UNL     1      -4.201  -0.496   5.332  1.00  0.00           C  
HETATM    6  OG  UNL     1      -3.440   0.712   5.230  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.184   1.146   3.964  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.553   0.584   2.938  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.361   2.424   3.951  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.872   2.093   3.946  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.463   1.078   2.487  1.00  0.00           S  
HETATM   12  C   UNL     1       0.748   2.288   1.841  1.00  0.00           C  
HETATM   13  C   UNL     1       0.654   2.358   0.317  1.00  0.00           C  
HETATM   14  C   UNL     1       2.149   1.830   2.272  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.264   3.590   2.507  1.00  0.00           C  
HETATM   16  C   UNL     1       1.295   4.675   2.489  1.00  0.00           C  
HETATM   17  O   UNL     1       2.162   4.832   3.335  1.00  0.00           O  
HETATM   18  OXT UNL     1       1.135   5.469   1.402  1.00  0.00           O  
HETATM   19  N   UNL     1      -0.041   3.301   3.911  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.670   3.279   5.067  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.695   4.216   5.031  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.431   4.411   4.067  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.869   5.040   6.254  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.338   6.294   6.256  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.808   7.247   5.240  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.359   6.728   7.542  1.00  0.00           O  
HETATM   27  N   UNL     1      -3.889   5.720   8.374  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.599   4.704   7.556  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.078   3.471   8.086  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.951   2.454   8.465  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.701   3.299   8.217  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.196   2.104   8.730  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.069   1.084   9.110  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.446   1.259   8.978  1.00  0.00           C  
HETATM   35  OXT UNL     1      -1.141  -0.938   6.166  1.00  0.00           O  
HETATM   36  HA  UNL     1      -2.696  -1.776   4.411  1.00  0.00           H  
HETATM   37  H1  UNL     1      -4.966  -2.931   5.427  1.00  0.00           H  
HETATM   38  H2  UNL     1      -3.474  -3.732   5.858  1.00  0.00           H  
HETATM   39  HB1 UNL     1      -4.787  -0.447   6.256  1.00  0.00           H  
HETATM   40  HB2 UNL     1      -4.894  -0.547   4.485  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.631   2.979   3.048  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.645   1.517   4.849  1.00  0.00           H  
HETATM   43  H   UNL     1       1.243   1.558  -0.142  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.385   2.252  -0.010  1.00  0.00           H  
HETATM   45  H   UNL     1       1.033   3.317  -0.048  1.00  0.00           H  
HETATM   46  H   UNL     1       2.524   1.054   1.598  1.00  0.00           H  
HETATM   47  H   UNL     1       2.850   2.670   2.254  1.00  0.00           H  
HETATM   48  H   UNL     1       2.124   1.423   3.287  1.00  0.00           H  
HETATM   49  HA  UNL     1      -0.626   3.993   2.006  1.00  0.00           H  
HETATM   50  HXT UNL     1       1.801   6.189   1.374  1.00  0.00           H  
HETATM   51  H   UNL     1       0.834   3.090   4.394  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.063   3.223   5.881  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.907   7.216   5.135  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.529   8.290   5.482  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.376   7.045   4.243  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.028   2.576   8.369  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.008   4.085   7.925  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.124   1.967   8.832  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.675   0.154   9.510  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.125   0.466   9.274  1.00  0.00           H  
HETATM   61  HXT UNL     1      -0.495  -0.812   6.893  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    5   36                                       
CONECT    4    3   37   38                                            
CONECT    5    3    6   39   40                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   20   41                                       
CONECT   10    9   11   19   42                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   15                                       
CONECT   13   12   43   44   45                                       
CONECT   14   12   46   47   48                                       
CONECT   15   12   16   19   49                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   50                                                 
CONECT   19   10   15   51                                            
CONECT   20    9   21   52                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   24   28                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24   53   54   55                                       
CONECT   26   24   27                                                 
CONECT   27   26   28   28                                            
CONECT   28   23   27   27   29                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29   34   34   56                                       
CONECT   31   29   29   32   57                                       
CONECT   32   31   33   33   58                                       
CONECT   33   32   32   34   59                                       
CONECT   34   30   30   33   60                                       
CONECT   35    2   61                                                 
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
