COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.101   1.952  -1.414  1.00  0.00           C  
HETATM    2  N   UNL     1       0.306   0.215  -0.471  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.300   2.721  -0.941  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.915   0.467  -1.240  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.117  -0.114  -0.493  1.00  0.00           C  
HETATM    6  C   UNL     1       3.214   4.637   0.284  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.060   1.685   1.447  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.541  -0.696   2.067  1.00  0.00           C  
HETATM    9  O   UNL     1      -6.236  -1.747   0.067  1.00  0.00           O  
HETATM   10  O   UNL     1       1.560   0.320  -2.302  1.00  0.00           O  
HETATM   11  OXT UNL     1      -4.248  -2.310  -0.716  1.00  0.00           O  
HETATM   12  C   UNL     1       4.128  -4.021   0.385  1.00  0.00           C  
HETATM   13  C   UNL     1       2.963  -3.821  -0.351  1.00  0.00           C  
HETATM   14  C   UNL     1       4.621   0.717   0.945  1.00  0.00           C  
HETATM   15  C   UNL     1       4.828  -2.967   0.889  1.00  0.00           C  
HETATM   16  C   UNL     1       2.495  -2.563  -0.593  1.00  0.00           C  
HETATM   17  C   UNL     1       5.069  -0.545   1.168  1.00  0.00           C  
HETATM   18  C   UNL     1       3.838   3.277   0.601  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.381   0.122  -1.244  1.00  0.00           N  
HETATM   20  O   UNL     1       3.041   2.241   0.024  1.00  0.00           O  
HETATM   21  S   UNL     1      -2.452   0.823   1.056  1.00  0.00           S  
HETATM   22  C   UNL     1      -4.999  -1.437  -0.350  1.00  0.00           C  
HETATM   23  C   UNL     1       1.498   0.160  -1.098  1.00  0.00           C  
HETATM   24  C   UNL     1       3.458   0.965   0.213  1.00  0.00           C  
HETATM   25  C   UNL     1       2.724  -0.092  -0.326  1.00  0.00           C  
HETATM   26  C   UNL     1       4.372  -1.657   0.664  1.00  0.00           C  
HETATM   27  C   UNL     1       3.193  -1.457  -0.095  1.00  0.00           C  
HETATM   28  CA  UNL     1      -4.546   0.000  -0.362  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.248   0.440   1.085  1.00  0.00           C  
HETATM   30  H   UNL     1      -1.954   2.329  -1.960  1.00  0.00           H  
HETATM   31  H   UNL     1       0.257   0.087   0.489  1.00  0.00           H  
HETATM   32  HA  UNL     1      -0.832  -0.007  -2.219  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.974  -1.175  -0.288  1.00  0.00           H  
HETATM   34  H   UNL     1       3.168   4.773  -0.797  1.00  0.00           H  
HETATM   35  H   UNL     1       2.206   4.680   0.698  1.00  0.00           H  
HETATM   36  H   UNL     1       3.822   5.428   0.724  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.805   2.004   2.457  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.829   2.486   0.744  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.123   1.454   1.397  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.600  -0.951   2.023  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.946  -1.569   1.801  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.286  -0.377   3.078  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.482  -2.682   0.057  1.00  0.00           H  
HETATM   44  H   UNL     1       4.478  -5.027   0.564  1.00  0.00           H  
HETATM   45  H   UNL     1       2.424  -4.674  -0.737  1.00  0.00           H  
HETATM   46  H   UNL     1       5.173   1.551   1.353  1.00  0.00           H  
HETATM   47  H   UNL     1       5.729  -3.137   1.459  1.00  0.00           H  
HETATM   48  H   UNL     1       1.591  -2.422  -1.167  1.00  0.00           H  
HETATM   49  H   UNL     1       5.973  -0.696   1.740  1.00  0.00           H  
HETATM   50  H   UNL     1       4.845   3.234   0.186  1.00  0.00           H  
HETATM   51  H   UNL     1       3.884   3.141   1.681  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.367   1.020  -1.703  1.00  0.00           H  
HETATM   53  HA  UNL     1      -5.352   0.619  -0.756  1.00  0.00           H  
CONECT    1    3    3    4   30                                       
CONECT    2   23    4   31                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   32                                       
CONECT    5    4   21   19   33                                       
CONECT    6   18   34   35   36                                       
CONECT    7   29   37   38   39                                       
CONECT    8   29   40   41   42                                       
CONECT    9   22   43                                                 
CONECT   10   23   23                                                 
CONECT   11   22   22                                                 
CONECT   12   15   15   13   44                                       
CONECT   13   12   16   16   45                                       
CONECT   14   17   24   24   46                                       
CONECT   15   12   12   26   47                                       
CONECT   16   13   13   27   48                                       
CONECT   17   14   26   26   49                                       
CONECT   18    6   20   50   51                                       
CONECT   19    5   28   52                                            
CONECT   20   18   24                                                 
CONECT   21    5   29                                                 
CONECT   22    9   11   11   28                                       
CONECT   23    2   10   10   25                                       
CONECT   24   14   14   20   25                                       
CONECT   25   23   24   27   27                                       
CONECT   26   15   17   17   27                                       
CONECT   27   16   25   25   26                                       
CONECT   28   19   22   29   53                                       
CONECT   29    7    8   21   28                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
