COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.995  -2.579   1.428  1.00  0.00           O  
HETATM    2  C   UNL     1       4.001  -1.456   0.966  1.00  0.00           C  
HETATM    3  C   UNL     1       5.160  -0.564   1.204  1.00  0.00           C  
HETATM    4  C   UNL     1       5.228   0.756   0.534  1.00  0.00           C  
HETATM    5  N   UNL     1       4.338   1.113  -0.358  1.00  0.00           N  
HETATM    6  S   UNL     1       4.787   2.672  -0.861  1.00  0.00           S  
HETATM    7  C   UNL     1       6.166   2.761   0.168  1.00  0.00           C  
HETATM    8  N   UNL     1       7.057   3.812   0.289  1.00  0.00           N  
HETATM    9  N   UNL     1       6.187   1.620   0.817  1.00  0.00           N  
HETATM   10  N   UNL     1       6.117  -0.939   2.001  1.00  0.00           N  
HETATM   11  O   UNL     1       6.107  -2.242   2.556  1.00  0.00           O  
HETATM   12  N   UNL     1       2.957  -1.023   0.233  1.00  0.00           N  
HETATM   13  CA  UNL     1       1.768  -1.865   0.082  1.00  0.00           C  
HETATM   14  C   UNL     1       1.979  -2.833  -1.054  1.00  0.00           C  
HETATM   15  O   UNL     1       3.015  -2.820  -1.674  1.00  0.00           O  
HETATM   16  C   UNL     1       0.553  -0.984  -0.217  1.00  0.00           C  
HETATM   17  S   UNL     1       0.827  -0.051  -1.758  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.774   0.789  -1.953  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.636  -1.825  -0.424  1.00  0.00           N  
HETATM   20  CA  UNL     1      -1.778  -1.309  -1.022  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.009  -2.109  -0.882  1.00  0.00           C  
HETATM   22  OXT UNL     1      -3.581  -2.663  -1.970  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.508  -2.269   0.214  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.885  -0.190  -1.699  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.239   0.143  -2.270  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.951   1.102  -1.351  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.743   0.715  -0.179  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.923  -0.428   0.195  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.949   2.425  -1.477  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.783   2.978  -0.345  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.241   1.812   0.422  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.085   1.837   1.620  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.358   1.164   2.802  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.252  -0.031   3.194  1.00  0.00           C  
HETATM   35  N   UNL     1      -7.025  -0.340   1.964  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.358   0.994   1.396  1.00  0.00           C  
HETATM   37  H   UNL     1       6.937   4.614  -0.245  1.00  0.00           H  
HETATM   38  H   UNL     1       7.801   3.748   0.907  1.00  0.00           H  
HETATM   39  H   UNL     1       6.858  -2.429   3.135  1.00  0.00           H  
HETATM   40  H   UNL     1       2.992  -0.153  -0.196  1.00  0.00           H  
HETATM   41  HA  UNL     1       1.596  -2.420   1.005  1.00  0.00           H  
HETATM   42  H   UNL     1       1.203  -3.538  -1.314  1.00  0.00           H  
HETATM   43  H   UNL     1       0.382  -0.295   0.610  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.843   1.610  -1.240  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.859   1.179  -2.967  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.622  -2.751  -0.138  1.00  0.00           H  
HETATM   47  HXT UNL     1      -4.386  -3.179  -1.828  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.116   0.603  -3.251  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.826  -0.770  -2.368  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.447   2.996  -2.244  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.176   3.626   0.287  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.636   3.529  -0.740  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.350   2.864   1.873  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.373   0.815   2.491  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.267   1.860   3.636  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.639  -0.886   3.483  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.924   0.247   4.006  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.472  -0.881   1.316  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.204   1.432   1.926  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.578   0.910   0.332  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   12    1    1                                       
CONECT    3    4   10   10    2                                       
CONECT    4    5    5    9    3                                       
CONECT    5    6    4    4                                            
CONECT    6    7    5                                                 
CONECT    7    8    6    9    9                                       
CONECT    8    7   37   38                                            
CONECT    9    7    7    4                                            
CONECT   10    3    3   11                                            
CONECT   11   10   39                                                 
CONECT   12    2   13   40                                            
CONECT   13   14   12   16   41                                       
CONECT   14   15   15   13   42                                       
CONECT   15   14   14                                                 
CONECT   16   13   19   17   43                                       
CONECT   17   16   18                                                 
CONECT   18   24   17   44   45                                       
CONECT   19   20   16   46                                            
CONECT   20   21   19   24   24                                       
CONECT   21   23   23   22   20                                       
CONECT   22   21   47                                                 
CONECT   23   21   21                                                 
CONECT   24   20   20   25   18                                       
CONECT   25   26   24   48   49                                       
CONECT   26   29   29   27   25                                       
CONECT   27   31   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30   26   26   50                                       
CONECT   30   29   31   51   52                                       
CONECT   31   30   27   32                                            
CONECT   32   33   31   36   53                                       
CONECT   33   34   32   54   55                                       
CONECT   34   33   35   56   57                                       
CONECT   35   34   36   58                                            
CONECT   36   35   32   59   60                                       
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
