COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.484   0.112   0.767  1.00  0.00           C  
HETATM    2  C   UNL     1       3.256   0.039   0.278  1.00  0.00           C  
HETATM    3  CA  UNL     1       2.222  -0.009  -0.817  1.00  0.00           C  
HETATM    4  CG  UNL     1       2.534   2.400  -1.314  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.210  -0.158  -0.855  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.778  -0.849  -0.480  1.00  0.00           C  
HETATM    7  CB  UNL     1       2.577   1.012  -1.899  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.547  -1.065  -1.058  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.556   0.068  -0.217  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.392  -0.582  -0.441  1.00  0.00           C  
HETATM   11  C   UNL     1       7.334  -1.832   1.651  1.00  0.00           C  
HETATM   12  C   UNL     1       8.401  -2.641   1.309  1.00  0.00           C  
HETATM   13  C   UNL     1       6.721  -1.052   0.689  1.00  0.00           C  
HETATM   14  C   UNL     1       8.855  -2.670   0.003  1.00  0.00           C  
HETATM   15  CA  UNL     1       5.554  -0.174   1.061  1.00  0.00           C  
HETATM   16  C   UNL     1       8.242  -1.889  -0.959  1.00  0.00           C  
HETATM   17  C   UNL     1       6.029   1.245   1.241  1.00  0.00           C  
HETATM   18  C   UNL     1       7.179  -1.076  -0.615  1.00  0.00           C  
HETATM   19  O   UNL     1       5.574   2.126   0.551  1.00  0.00           O  
HETATM   20  OXT UNL     1       6.957   1.529   2.168  1.00  0.00           O  
HETATM   21  N   UNL     1       4.548  -0.221  -0.003  1.00  0.00           N  
HETATM   22  O   UNL     1       2.926   0.312   1.413  1.00  0.00           O  
HETATM   23  OD1 UNL     1       2.303   2.553  -0.138  1.00  0.00           O  
HETATM   24  OD2 UNL     1       2.752   3.466  -2.100  1.00  0.00           O  
HETATM   25  N   UNL     1       0.905   0.309  -0.259  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.130  -0.760  -1.905  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.646  -0.557  -1.091  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.955  -0.337  -0.471  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.070  -0.804  -1.067  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.989  -1.408  -2.119  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.716   0.319   1.349  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.870  -0.160   0.730  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.195   0.073   1.351  1.00  0.00           C  
HETATM   34  N   UNL     1     -11.273  -0.365   0.767  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.286   0.753   2.546  1.00  0.00           N  
HETATM   36  H   UNL     1      -5.591   0.482   1.247  1.00  0.00           H  
HETATM   37  HA  UNL     1       2.200  -1.008  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.673  -1.212  -0.964  1.00  0.00           H  
HETATM   39  HB1 UNL     1       3.579   0.807  -2.276  1.00  0.00           H  
HETATM   40  HB2 UNL     1       1.860   0.939  -2.717  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.476  -1.599  -1.995  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.573  -0.393   0.770  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.738   1.139  -0.121  1.00  0.00           H  
HETATM   44  H   UNL     1       6.977  -1.813   2.670  1.00  0.00           H  
HETATM   45  H   UNL     1       8.880  -3.250   2.061  1.00  0.00           H  
HETATM   46  H   UNL     1       9.689  -3.302  -0.264  1.00  0.00           H  
HETATM   47  HA  UNL     1       5.114  -0.531   1.993  1.00  0.00           H  
HETATM   48  H   UNL     1       8.597  -1.912  -1.979  1.00  0.00           H  
HETATM   49  H   UNL     1       6.700  -0.466  -1.367  1.00  0.00           H  
HETATM   50  HXT UNL     1       7.231   2.453   2.246  1.00  0.00           H  
HETATM   51  H   UNL     1       4.812  -0.440  -0.910  1.00  0.00           H  
HETATM   52  HD2 UNL     1       2.714   4.336  -1.680  1.00  0.00           H  
HETATM   53  H   UNL     1       0.836   0.855   0.539  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.629  -0.096  -2.078  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.465  -1.628  -1.186  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.019   0.145   0.369  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.787   0.851   2.286  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.141  -0.213   1.174  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.483   1.079   2.980  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.153   0.905   2.952  1.00  0.00           H  
CONECT    1   10   10   31   36                                       
CONECT    2   21   22   22    3                                       
CONECT    3    2   25    7   37                                       
CONECT    4   23   23    7   24                                       
CONECT    5   26   26   25    9                                       
CONECT    6    8    8   32   38                                       
CONECT    7    3    4   39   40                                       
CONECT    8    6    6   10   41                                       
CONECT    9   27    5   42   43                                       
CONECT   10    8   29    1    1                                       
CONECT   11   12   12   13   44                                       
CONECT   12   11   11   14   45                                       
CONECT   13   11   15   18   18                                       
CONECT   14   12   16   16   46                                       
CONECT   15   17   13   21   47                                       
CONECT   16   14   14   18   48                                       
CONECT   17   19   19   20   15                                       
CONECT   18   13   13   16   49                                       
CONECT   19   17   17                                                 
CONECT   20   17   50                                                 
CONECT   21   15    2   51                                            
CONECT   22    2    2                                                 
CONECT   23    4    4                                                 
CONECT   24    4   52                                                 
CONECT   25    3    5   53                                            
CONECT   26    5    5                                                 
CONECT   27   28    9   54   55                                       
CONECT   28   27   29   56                                            
CONECT   29   28   10   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   32   32    1   57                                       
CONECT   32    6   33   31   31                                       
CONECT   33   34   34   32   35                                       
CONECT   34   33   33   58                                            
CONECT   35   33   59   60                                            
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   31                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
