COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1      -5.157  -2.976   0.402  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.310  -1.930   0.351  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.112  -2.117   0.398  1.00  0.00           O  
HETATM    4  CA  UNL     1      -4.842  -0.551   0.238  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.192  -0.338   0.060  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.693   0.904  -0.045  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.890   1.048  -0.201  1.00  0.00           O  
HETATM    8  N   UNL     1      -5.905   1.992   0.019  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.574   1.863   0.192  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.859   2.845   0.250  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.003   0.515   0.314  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.521   0.319   0.508  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.833   0.246  -0.856  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.352   0.050  -0.662  1.00  0.00           C  
HETATM   15  C   UNL     1       0.175  -1.226  -0.587  1.00  0.00           C  
HETATM   16  C   UNL     1       0.486   1.146  -0.564  1.00  0.00           C  
HETATM   17  C   UNL     1       1.841   0.970  -0.387  1.00  0.00           C  
HETATM   18  C   UNL     1       2.379  -0.315  -0.305  1.00  0.00           C  
HETATM   19  C   UNL     1       1.533  -1.407  -0.409  1.00  0.00           C  
HETATM   20  C   UNL     1       2.358  -2.669  -0.289  1.00  0.00           C  
HETATM   21  C   UNL     1       3.800  -2.172  -0.101  1.00  0.00           C  
HETATM   22  N   UNL     1       3.710  -0.710  -0.129  1.00  0.00           N  
HETATM   23  C   UNL     1       4.755   0.132  -0.002  1.00  0.00           C  
HETATM   24  O   UNL     1       4.575   1.333  -0.036  1.00  0.00           O  
HETATM   25  O   UNL     1       5.998  -0.359   0.163  1.00  0.00           O  
HETATM   26  C   UNL     1       7.075   0.606   0.294  1.00  0.00           C  
HETATM   27  C   UNL     1       8.403  -0.133   0.472  1.00  0.00           C  
HETATM   28  C   UNL     1       7.139   1.472  -0.966  1.00  0.00           C  
HETATM   29  C   UNL     1       6.819   1.495   1.512  1.00  0.00           C  
HETATM   30  HXT UNL     1      -4.764  -3.856   0.476  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.298   2.876  -0.060  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.115   1.157   1.075  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.346  -0.608   1.054  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.239  -0.592  -1.423  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.009   1.173  -1.402  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.477  -2.083  -0.667  1.00  0.00           H  
HETATM   37  H   UNL     1       0.076   2.144  -0.627  1.00  0.00           H  
HETATM   38  H   UNL     1       2.490   1.831  -0.312  1.00  0.00           H  
HETATM   39  H   UNL     1       2.040  -3.250   0.577  1.00  0.00           H  
HETATM   40  H   UNL     1       2.274  -3.265  -1.198  1.00  0.00           H  
HETATM   41  H   UNL     1       4.195  -2.511   0.857  1.00  0.00           H  
HETATM   42  H   UNL     1       4.431  -2.526  -0.916  1.00  0.00           H  
HETATM   43  H   UNL     1       8.585  -0.767  -0.396  1.00  0.00           H  
HETATM   44  H   UNL     1       9.212   0.591   0.570  1.00  0.00           H  
HETATM   45  H   UNL     1       8.357  -0.751   1.370  1.00  0.00           H  
HETATM   46  H   UNL     1       6.194   1.999  -1.093  1.00  0.00           H  
HETATM   47  H   UNL     1       7.948   2.196  -0.868  1.00  0.00           H  
HETATM   48  H   UNL     1       7.322   0.838  -1.834  1.00  0.00           H  
HETATM   49  H   UNL     1       6.773   0.878   2.409  1.00  0.00           H  
HETATM   50  H   UNL     1       7.628   2.220   1.610  1.00  0.00           H  
HETATM   51  H   UNL     1       5.873   2.022   1.385  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.791  -1.099   0.009  1.00  0.00           H  
CONECT    1    2   30                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4   11   11    2    5                                       
CONECT    5    4    6   52                                            
CONECT    6    8    5    7    7                                       
CONECT    7    6    6                                                 
CONECT    8    9    6   31                                            
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9    4    4                                       
CONECT   12   13   11   32   33                                       
CONECT   13   14   12   34   35                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   19   36                                       
CONECT   16   17   17   14   37                                       
CONECT   17   16   16   18   38                                       
CONECT   18   17   22   19   19                                       
CONECT   19   18   18   15   20                                       
CONECT   20   19   21   39   40                                       
CONECT   21   22   20   41   42                                       
CONECT   22   23   18   21                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23                                                 
CONECT   26   27   28   25   29                                       
CONECT   27   26   43   44   45                                       
CONECT   28   26   46   47   48                                       
CONECT   29   26   49   50   51                                       
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52    5                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
