COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.279  -2.675  -1.156  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.395  -0.479  -0.623  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.859  -2.531  -2.280  1.00  0.00           O  
HETATM    4  CA  UNL     1      -2.381  -1.490  -0.231  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.786  -0.892  -0.321  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.952   0.238   0.636  1.00  0.00           N  
HETATM    7  CA  UNL     1      -5.371   0.503   0.893  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.240  -0.767   0.822  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.051  -2.071   0.310  1.00  0.00           S  
HETATM   10  C   UNL     1      -5.872   1.493  -0.127  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.255   1.671  -1.151  1.00  0.00           O  
HETATM   12  OXT UNL     1      -7.005   2.177   0.102  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.836  -1.089   2.193  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.345  -0.606  -0.224  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.129  -0.562  -0.168  1.00  0.00           C  
HETATM   16  O   UNL     1       0.194  -1.473   0.565  1.00  0.00           O  
HETATM   17  CA  UNL     1       0.886   0.477  -0.570  1.00  0.00           C  
HETATM   18  C   UNL     1       0.422   1.836  -0.112  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.183   2.698  -1.007  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.608   3.944  -0.586  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.429   4.328   0.730  1.00  0.00           C  
HETATM   22  C   UNL     1       0.175   3.465   1.625  1.00  0.00           C  
HETATM   23  C   UNL     1       0.597   2.217   1.206  1.00  0.00           C  
HETATM   24  N   UNL     1       2.176   0.166   0.051  1.00  0.00           N  
HETATM   25  C   UNL     1       3.319   0.604  -0.514  1.00  0.00           C  
HETATM   26  O   UNL     1       3.276   1.330  -1.487  1.00  0.00           O  
HETATM   27  N   UNL     1       4.509   0.236   0.001  1.00  0.00           N  
HETATM   28  C   UNL     1       4.559  -0.548   1.235  1.00  0.00           C  
HETATM   29  C   UNL     1       5.684  -1.577   1.170  1.00  0.00           C  
HETATM   30  N   UNL     1       6.944  -0.937   0.793  1.00  0.00           N  
HETATM   31  C   UNL     1       6.953   0.061  -0.114  1.00  0.00           C  
HETATM   32  O   UNL     1       8.002   0.522  -0.511  1.00  0.00           O  
HETATM   33  C   UNL     1       5.649   0.586  -0.626  1.00  0.00           C  
HETATM   34  O   UNL     1       5.620   1.322  -1.591  1.00  0.00           O  
HETATM   35  C   UNL     1       8.200  -1.380   1.403  1.00  0.00           C  
HETATM   36  C   UNL     1       8.811  -2.499   0.556  1.00  0.00           C  
HETATM   37  OXT UNL     1      -2.661  -3.891  -0.733  1.00  0.00           O  
HETATM   38  H   UNL     1      -1.653   0.249  -1.209  1.00  0.00           H  
HETATM   39  HA  UNL     1      -2.187  -1.810   0.792  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.014  -0.580  -1.341  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.456   0.058   1.496  1.00  0.00           H  
HETATM   42  HA  UNL     1      -5.472   0.943   1.885  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.455  -0.256   2.525  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.446  -1.990   2.122  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.031  -1.252   2.910  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.897  -0.429  -1.202  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.948  -1.513  -0.258  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.978   0.240   0.044  1.00  0.00           H  
HETATM   49  HA  UNL     1       0.995   0.477  -1.655  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.323   2.398  -2.035  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.080   4.618  -1.286  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.760   5.302   1.058  1.00  0.00           H  
HETATM   53  H   UNL     1       0.316   3.765   2.653  1.00  0.00           H  
HETATM   54  H   UNL     1       1.065   1.542   1.906  1.00  0.00           H  
HETATM   55  H   UNL     1       2.207  -0.355   0.868  1.00  0.00           H  
HETATM   56  H   UNL     1       4.731   0.121   2.079  1.00  0.00           H  
HETATM   57  H   UNL     1       3.608  -1.063   1.373  1.00  0.00           H  
HETATM   58  H   UNL     1       5.798  -2.047   2.147  1.00  0.00           H  
HETATM   59  H   UNL     1       5.432  -2.339   0.432  1.00  0.00           H  
HETATM   60  H   UNL     1       8.896  -0.543   1.453  1.00  0.00           H  
HETATM   61  H   UNL     1       8.005  -1.751   2.409  1.00  0.00           H  
HETATM   62  H   UNL     1       9.006  -2.128  -0.450  1.00  0.00           H  
HETATM   63  H   UNL     1       9.745  -2.829   1.010  1.00  0.00           H  
HETATM   64  H   UNL     1       8.116  -3.337   0.506  1.00  0.00           H  
HETATM   65  HXT UNL     1      -7.287   2.800  -0.581  1.00  0.00           H  
HETATM   66  HXT UNL     1      -2.582  -4.620  -1.364  1.00  0.00           H  
CONECT    1    3    3    4   37                                       
CONECT    2    4   15   38                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   39                                       
CONECT    5    4    6    9   40                                       
CONECT    6    5    7   41                                            
CONECT    7    6    8   10   42                                       
CONECT    8    7    9   13   14                                       
CONECT    9    5    8                                                 
CONECT   10    7   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   65                                                 
CONECT   13    8   43   44   45                                       
CONECT   14    8   46   47   48                                       
CONECT   15    2   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   24   49                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   23   23   53                                       
CONECT   23   18   22   22   54                                       
CONECT   24   17   25   55                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   33                                            
CONECT   28   27   29   56   57                                       
CONECT   29   28   30   58   59                                       
CONECT   30   29   31   35                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   27   31   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   30   36   60   61                                       
CONECT   36   35   62   63   64                                       
CONECT   37    1   66                                                 
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   12                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
