COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNK A   1      -0.386  -0.545   0.128  1.00  0.00           S  
HETATM    2  C   UNK A   1       2.285  -1.130   0.046  1.00  0.00           C  
HETATM    3  C   UNK A   1       3.375  -2.078  -0.382  1.00  0.00           C  
ATOM      4  N   GLY A   2       3.382  -3.347   0.073  1.00  0.00           N  
HETATM    5  C   UNK A   1       0.927  -1.686  -0.387  1.00  0.00           C  
ATOM      6  CA  GLY A   2       4.442  -4.269  -0.343  1.00  0.00           C  
ATOM      7  C   GLY A   2       4.221  -5.613   0.301  1.00  0.00           C  
ATOM      8  O   GLY A   2       5.074  -6.620   0.062  1.00  0.00           O  
HETATM    9  O   UNK A   1       4.246  -1.700  -1.137  1.00  0.00           O  
ATOM     10  OXT GLY A   2       3.275  -5.783   1.033  1.00  0.00           O  
HETATM   11  O   UNK A   1       5.063   6.082   1.493  1.00  0.00           O  
HETATM   12  C   UNK A   1       5.609   5.451   0.442  1.00  0.00           C  
HETATM   13  O   UNK A   1       6.790   5.565   0.214  1.00  0.00           O  
HETATM   14  C   UNK A   1       4.747   4.599  -0.455  1.00  0.00           C  
HETATM   15  N   UNK A   1       5.418   4.417  -1.749  1.00  0.00           N  
HETATM   16  C   UNK A   1       4.523   3.235   0.199  1.00  0.00           C  
HETATM   17  C   UNK A   1       3.548   2.416  -0.650  1.00  0.00           C  
HETATM   18  C   UNK A   1       3.327   1.072  -0.005  1.00  0.00           C  
HETATM   19  O   UNK A   1       3.893   0.796   1.031  1.00  0.00           O  
HETATM   20  N   UNK A   1       2.500   0.177  -0.581  1.00  0.00           N  
HETATM   21  C   UNK A   1      -1.839  -1.432  -0.498  1.00  0.00           C  
HETATM   22  C   UNK A   1      -1.989  -2.757   0.252  1.00  0.00           C  
HETATM   23  O   UNK A   1      -2.270  -2.496   1.629  1.00  0.00           O  
HETATM   24  C   UNK A   1      -3.090  -0.578  -0.281  1.00  0.00           C  
HETATM   25  O   UNK A   1      -4.247  -1.323  -0.667  1.00  0.00           O  
HETATM   26  C   UNK A   1      -5.321  -0.518  -0.453  1.00  0.00           C  
HETATM   27  C   UNK A   1      -6.600  -0.975  -0.740  1.00  0.00           C  
HETATM   28  C   UNK A   1      -7.690  -0.155  -0.521  1.00  0.00           C  
HETATM   29  C   UNK A   1      -7.508   1.120  -0.018  1.00  0.00           C  
HETATM   30  C   UNK A   1      -6.235   1.577   0.268  1.00  0.00           C  
HETATM   31  C   UNK A   1      -5.142   0.759   0.057  1.00  0.00           C  
HETATM   32  N   UNK A   1      -8.678   1.996   0.214  1.00  0.00           N1+
HETATM   33  O   UNK A   1      -9.799   1.594  -0.038  1.00  0.00           O1-
HETATM   34  O   UNK A   1      -8.518   3.120   0.657  1.00  0.00           O  
HETATM   35  H   UNK A   1       2.304  -1.021   1.130  1.00  0.00           H  
ATOM     36  H   GLY A   2       2.686  -3.649   0.676  1.00  0.00           H  
HETATM   37  H   UNK A   1       0.908  -1.795  -1.471  1.00  0.00           H  
HETATM   38  H   UNK A   1       0.766  -2.658   0.079  1.00  0.00           H  
ATOM     39  HA1 GLY A   2       4.423  -4.378  -1.428  1.00  0.00           H  
ATOM     40  HA2 GLY A   2       5.410  -3.873  -0.035  1.00  0.00           H  
ATOM     41  H   GLY A   2       4.932  -7.483   0.476  1.00  0.00           H  
HETATM   42  H   UNK A   1       5.616   6.629   2.069  1.00  0.00           H  
HETATM   43  H   UNK A   1       3.787   5.091  -0.610  1.00  0.00           H  
HETATM   44  H   UNK A   1       6.298   3.961  -1.558  1.00  0.00           H  
HETATM   45  H   UNK A   1       4.860   3.761  -2.275  1.00  0.00           H  
HETATM   46  H   UNK A   1       5.473   2.706   0.273  1.00  0.00           H  
HETATM   47  H   UNK A   1       4.106   3.374   1.197  1.00  0.00           H  
HETATM   48  H   UNK A   1       2.598   2.945  -0.724  1.00  0.00           H  
HETATM   49  H   UNK A   1       3.965   2.276  -1.648  1.00  0.00           H  
HETATM   50  H   UNK A   1       2.047   0.397  -1.410  1.00  0.00           H  
HETATM   51  H   UNK A   1      -1.713  -1.629  -1.562  1.00  0.00           H  
HETATM   52  H   UNK A   1      -2.808  -3.330  -0.183  1.00  0.00           H  
HETATM   53  H   UNK A   1      -1.064  -3.327   0.172  1.00  0.00           H  
HETATM   54  H   UNK A   1      -2.357  -3.355   2.064  1.00  0.00           H  
HETATM   55  H   UNK A   1      -3.167  -0.307   0.772  1.00  0.00           H  
HETATM   56  H   UNK A   1      -3.022   0.326  -0.886  1.00  0.00           H  
HETATM   57  H   UNK A   1      -6.742  -1.971  -1.133  1.00  0.00           H  
HETATM   58  H   UNK A   1      -8.685  -0.511  -0.744  1.00  0.00           H  
HETATM   59  H   UNK A   1      -6.095   2.574   0.660  1.00  0.00           H  
HETATM   60  H   UNK A   1      -4.148   1.117   0.280  1.00  0.00           H  
CONECT    1    5   21                                                 
CONECT    2    3    5   20   35                                       
CONECT    3    2    4    9    9                                       
CONECT    4    3    6   36                                            
CONECT    5    1    2   37   38                                       
CONECT    6    4    7   39   40                                       
CONECT    7    6    8   10   10                                       
CONECT    8    7   41                                                 
CONECT    9    3    3                                                 
CONECT   10    7    7                                                 
CONECT   11   12   42                                                 
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   16   43                                       
CONECT   15   14   44   45                                            
CONECT   16   14   17   46   47                                       
CONECT   17   16   18   48   49                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20    2   18   50                                            
CONECT   21    1   22   24   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   54                                                 
CONECT   24   21   25   55   56                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   28   57                                       
CONECT   28   27   29   29   58                                       
CONECT   29   28   28   30   32                                       
CONECT   30   29   31   31   59                                       
CONECT   31   26   30   30   60                                       
CONECT   32   29   33   34   34                                       
CONECT   33   32                                                      
CONECT   34   32   32                                                 
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
