COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -8.800  -2.226   0.397  1.00  0.00           O  
HETATM    2  C   UNL     1      13.787   0.197  -0.207  1.00  0.00           C  
HETATM    3  C   UNL     1      12.516  -0.246   0.521  1.00  0.00           C  
HETATM    4  C   UNL     1      11.289   0.219  -0.266  1.00  0.00           C  
HETATM    5  C   UNL     1      10.018  -0.225   0.462  1.00  0.00           C  
HETATM    6  C   UNL     1       8.791   0.241  -0.325  1.00  0.00           C  
HETATM    7  C   UNL     1       7.521  -0.203   0.403  1.00  0.00           C  
HETATM    8  C   UNL     1       6.294   0.262  -0.384  1.00  0.00           C  
HETATM    9  C   UNL     1       5.023  -0.181   0.343  1.00  0.00           C  
HETATM   10  C   UNL     1       3.796   0.284  -0.443  1.00  0.00           C  
HETATM   11  C   UNL     1       2.525  -0.160   0.284  1.00  0.00           C  
HETATM   12  C   UNL     1       1.298   0.305  -0.502  1.00  0.00           C  
HETATM   13  C   UNL     1       0.027  -0.138   0.225  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.199   0.327  -0.562  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.470  -0.116   0.166  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.697   0.349  -0.621  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.949  -0.088   0.096  1.00  0.00           C  
HETATM   18  N   UNL     1      -6.159   0.212  -0.417  1.00  0.00           N  
HETATM   19  CA  UNL     1      -7.375  -0.212   0.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.717  -1.624  -0.121  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.016  -2.215  -0.908  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.530   0.718  -0.097  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.238   2.128   0.421  1.00  0.00           C  
HETATM   24  O   UNL     1      -9.317   2.997   0.069  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.867  -0.710   1.134  1.00  0.00           O  
HETATM   26  HXT UNL     1      -8.978  -3.132   0.109  1.00  0.00           H  
HETATM   27  H   UNL     1      14.661  -0.134   0.354  1.00  0.00           H  
HETATM   28  H   UNL     1      13.806  -0.242  -1.204  1.00  0.00           H  
HETATM   29  H   UNL     1      13.798   1.284  -0.288  1.00  0.00           H  
HETATM   30  H   UNL     1      12.505  -1.333   0.603  1.00  0.00           H  
HETATM   31  H   UNL     1      12.496   0.193   1.518  1.00  0.00           H  
HETATM   32  H   UNL     1      11.300   1.306  -0.348  1.00  0.00           H  
HETATM   33  H   UNL     1      11.309  -0.221  -1.263  1.00  0.00           H  
HETATM   34  H   UNL     1      10.007  -1.311   0.543  1.00  0.00           H  
HETATM   35  H   UNL     1       9.998   0.215   1.459  1.00  0.00           H  
HETATM   36  H   UNL     1       8.803   1.327  -0.407  1.00  0.00           H  
HETATM   37  H   UNL     1       8.811  -0.199  -1.322  1.00  0.00           H  
HETATM   38  H   UNL     1       7.509  -1.290   0.484  1.00  0.00           H  
HETATM   39  H   UNL     1       7.501   0.237   1.400  1.00  0.00           H  
HETATM   40  H   UNL     1       6.305   1.349  -0.466  1.00  0.00           H  
HETATM   41  H   UNL     1       6.313  -0.177  -1.382  1.00  0.00           H  
HETATM   42  H   UNL     1       5.011  -1.268   0.425  1.00  0.00           H  
HETATM   43  H   UNL     1       5.003   0.258   1.341  1.00  0.00           H  
HETATM   44  H   UNL     1       3.807   1.371  -0.525  1.00  0.00           H  
HETATM   45  H   UNL     1       3.816  -0.156  -1.441  1.00  0.00           H  
HETATM   46  H   UNL     1       2.514  -1.247   0.366  1.00  0.00           H  
HETATM   47  H   UNL     1       2.505   0.280   1.281  1.00  0.00           H  
HETATM   48  H   UNL     1       1.309   1.392  -0.584  1.00  0.00           H  
HETATM   49  H   UNL     1       1.318  -0.134  -1.500  1.00  0.00           H  
HETATM   50  H   UNL     1       0.016  -1.225   0.307  1.00  0.00           H  
HETATM   51  H   UNL     1       0.008   0.301   1.222  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.188   1.414  -0.643  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.180  -0.112  -1.559  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.481  -1.203   0.248  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.490   0.323   1.163  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.686   1.436  -0.702  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.677  -0.091  -1.618  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.224   0.710  -1.247  1.00  0.00           H  
HETATM   59  HA  UNL     1      -7.211  -0.170   1.357  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.637   0.744  -1.181  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.453   0.351   0.351  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.132   2.102   1.505  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.315   2.496  -0.026  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.199   3.910   0.366  1.00  0.00           H  
CONECT    1   20   26                                                 
CONECT    2    3   27   28   29                                       
CONECT    3    4    2   30   31                                       
CONECT    4    3    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   12   14   50   51                                       
CONECT   14   13   15   52   53                                       
CONECT   15   14   16   54   55                                       
CONECT   16   15   17   56   57                                       
CONECT   17   16   25   25   18                                       
CONECT   18   17   19   58                                            
CONECT   19   18   20   22   59                                       
CONECT   20   21   21   19    1                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   60   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   23   64                                                 
CONECT   25   17   17                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
