COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.403  -2.073   0.731  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.728  -0.240   0.636  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.110  -3.168   0.300  1.00  0.00           O  
HETATM    4  CA  UNL     1      -2.675  -0.979   1.474  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.010  -0.263   1.654  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.302   2.563  -0.715  1.00  0.00           C  
HETATM    7  CA  UNL     1      -5.002  -0.808  -0.551  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.463   0.666  -0.425  1.00  0.00           C  
HETATM    9  C   UNL     1       2.914   0.004  -0.706  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.855   0.762   0.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.416   1.380  -1.777  1.00  0.00           C  
HETATM   12  C   UNL     1       4.494  -0.855   0.933  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.404  -0.463   0.756  1.00  0.00           C  
HETATM   14  C   UNL     1       8.605  -0.692   1.562  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.570   0.298  -0.106  1.00  0.00           C  
HETATM   16  C   UNL     1       5.178  -0.059  -1.266  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.163  -1.657  -1.001  1.00  0.00           C  
HETATM   18  C   UNL     1       6.566  -0.515  -0.941  1.00  0.00           C  
HETATM   19  C   UNL     1       8.113  -1.700   0.520  1.00  0.00           C  
HETATM   20  C   UNL     1       5.604  -1.897   0.822  1.00  0.00           C  
HETATM   21  C   UNL     1       0.426   1.775   0.156  1.00  0.00           C  
HETATM   22  C   UNL     1       1.020   2.341   1.268  1.00  0.00           C  
HETATM   23  C   UNL     1       0.887   3.696   1.509  1.00  0.00           C  
HETATM   24  C   UNL     1       0.160   4.484   0.637  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.434   3.918  -0.475  1.00  0.00           C  
HETATM   26  N   UNL     1       1.937  -0.123   0.214  1.00  0.00           N  
HETATM   27  N   UNL     1       4.188  -0.289  -0.381  1.00  0.00           N  
HETATM   28  N   UNL     1       6.754  -1.346   0.103  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.525  -1.304   0.746  1.00  0.00           N  
HETATM   30  O   UNL     1       0.003  -1.277   1.558  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.508  -1.688  -2.297  1.00  0.00           O  
HETATM   32  OXT UNL     1      -6.782  -2.310  -0.195  1.00  0.00           O  
HETATM   33  O   UNL     1       2.645   0.384  -1.829  1.00  0.00           O  
HETATM   34  O   UNL     1       7.508  -0.141  -1.608  1.00  0.00           O  
HETATM   35  O   UNL     1       4.947   0.510  -2.313  1.00  0.00           O  
HETATM   36  S   UNL     1      -4.165   1.303   0.717  1.00  0.00           S  
HETATM   37  H   UNL     1      -2.053   0.411  -0.006  1.00  0.00           H  
HETATM   38  HA  UNL     1      -2.233  -1.314   2.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.413  -0.250   2.667  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.763   2.122  -1.586  1.00  0.00           H  
HETATM   41  HA  UNL     1      -4.201  -0.874  -1.287  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.836   0.318   1.198  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.149   1.809   0.276  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.571   0.226  -0.420  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.074   0.870  -2.481  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.746   2.412  -1.655  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.396   1.367  -2.160  1.00  0.00           H  
HETATM   48  H   UNL     1       3.599  -1.326   1.339  1.00  0.00           H  
HETATM   49  H   UNL     1       4.815  -0.058   1.603  1.00  0.00           H  
HETATM   50  H   UNL     1       7.943  -0.712   2.427  1.00  0.00           H  
HETATM   51  H   UNL     1       9.616  -0.955   1.872  1.00  0.00           H  
HETATM   52  H   UNL     1       8.606   0.308   1.128  1.00  0.00           H  
HETATM   53  HA  UNL     1       0.363   0.093  -1.156  1.00  0.00           H  
HETATM   54  H   UNL     1       8.775  -1.680  -0.345  1.00  0.00           H  
HETATM   55  H   UNL     1       8.112  -2.700   0.954  1.00  0.00           H  
HETATM   56  H   UNL     1       5.916  -2.199   1.821  1.00  0.00           H  
HETATM   57  H   UNL     1       5.228  -2.767   0.285  1.00  0.00           H  
HETATM   58  H   UNL     1       1.589   1.725   1.949  1.00  0.00           H  
HETATM   59  H   UNL     1       1.352   4.138   2.378  1.00  0.00           H  
HETATM   60  H   UNL     1       0.056   5.543   0.825  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.002   4.534  -1.156  1.00  0.00           H  
HETATM   62  H   UNL     1       2.139  -0.494   1.087  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.260  -2.247  -2.538  1.00  0.00           H  
CONECT    1    3    3    4   29                                       
CONECT    2    4   13   37                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   38                                       
CONECT    5    4   29   36   39                                       
CONECT    6   21   21   25   40                                       
CONECT    7    8   17   29   41                                       
CONECT    8    7   10   11   36                                       
CONECT    9   26   27   33   33                                       
CONECT   10    8   42   43   44                                       
CONECT   11    8   45   46   47                                       
CONECT   12   20   27   48   49                                       
CONECT   13    2   15   30   30                                       
CONECT   14   19   50   51   52                                       
CONECT   15   13   21   26   53                                       
CONECT   16   18   27   35   35                                       
CONECT   17    7   31   32   32                                       
CONECT   18   16   28   34   34                                       
CONECT   19   14   28   54   55                                       
CONECT   20   12   28   56   57                                       
CONECT   21    6    6   15   22                                       
CONECT   22   21   23   23   58                                       
CONECT   23   22   22   24   59                                       
CONECT   24   23   25   25   60                                       
CONECT   25    6   24   24   61                                       
CONECT   26    9   15   62                                            
CONECT   27    9   12   16                                            
CONECT   28   18   19   20                                            
CONECT   29    1    5    7                                            
CONECT   30   13   13                                                 
CONECT   31   17   63                                                 
CONECT   32   17   17                                                 
CONECT   33    9    9                                                 
CONECT   34   18   18                                                 
CONECT   35   16   16                                                 
CONECT   36    5    8                                                 
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   31                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
