COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.636  -3.090   0.359  1.00  0.00           N  
HETATM    2  N   UNL     1       6.692   1.697   0.195  1.00  0.00           N  
HETATM    3  C   UNL     1       3.059  -3.131   0.055  1.00  0.00           C  
HETATM    4  C   UNL     1       3.011  -4.506   0.061  1.00  0.00           C  
HETATM    5  C   UNL     1       4.188  -5.240   0.111  1.00  0.00           C  
HETATM    6  C   UNL     1       1.810  -2.291  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       0.585  -4.318  -0.451  1.00  0.00           C  
HETATM    8  C   UNL     1       4.358  -1.004   0.104  1.00  0.00           C  
HETATM    9  C   UNL     1       5.257   3.479   0.129  1.00  0.00           C  
HETATM   10  C   UNL     1       7.303   5.346   0.212  1.00  0.00           C  
HETATM   11  C   UNL     1       4.965   4.841   0.113  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.916  -2.224   0.354  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.822  -0.895  -0.077  1.00  0.00           C  
HETATM   14  CA  UNL     1      -1.556  -0.357  -0.350  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.042  -0.071  -0.243  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.169  -0.425  -0.929  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.394   0.941  -0.359  1.00  0.00           C  
HETATM   18  C   UNL     1       5.414  -4.603   0.160  1.00  0.00           C  
HETATM   19  C   UNL     1       5.476  -3.226   0.158  1.00  0.00           C  
HETATM   20  C   UNL     1       4.298  -2.481   0.105  1.00  0.00           C  
HETATM   21  C   UNL     1       1.702  -5.252   0.014  1.00  0.00           C  
HETATM   22  O   UNL     1       3.332  -0.355   0.058  1.00  0.00           O  
HETATM   23  N   UNL     1       5.550  -0.378   0.153  1.00  0.00           N  
HETATM   24  C   UNL     1       5.606   1.005   0.151  1.00  0.00           C  
HETATM   25  C   UNL     1       6.584   3.040   0.187  1.00  0.00           C  
HETATM   26  S   UNL     1       4.206   2.066   0.088  1.00  0.00           S  
HETATM   27  C   UNL     1       7.609   4.009   0.228  1.00  0.00           C  
HETATM   28  C   UNL     1       5.983   5.768   0.155  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.533  -2.351   0.216  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.763  -2.949   0.499  1.00  0.00           C  
HETATM   31  N   UNL     1      -0.464  -1.101  -0.200  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.436   1.043  -0.805  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.431   1.725  -0.943  1.00  0.00           O  
HETATM   34  OXT UNL     1      -0.221   1.563  -1.068  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.254   1.220   0.283  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.446   1.613  -0.078  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.040   0.599  -0.839  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.379   0.643  -1.432  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.744   2.248  -0.056  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.680   2.483   0.934  1.00  0.00           C  
HETATM   41  N   UNL     1     -10.236   1.482   1.587  1.00  0.00           N  
HETATM   42  C   UNL     1      -9.927   0.226   1.326  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.005  -0.085   0.345  1.00  0.00           C  
HETATM   44  H   UNL     1       4.146  -6.319   0.112  1.00  0.00           H  
HETATM   45  H   UNL     1       1.684  -1.905  -1.015  1.00  0.00           H  
HETATM   46  H   UNL     1       1.906  -1.456   0.690  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.380  -4.806  -0.317  1.00  0.00           H  
HETATM   48  H   UNL     1       0.727  -4.069  -1.503  1.00  0.00           H  
HETATM   49  H   UNL     1       8.097   6.077   0.244  1.00  0.00           H  
HETATM   50  H   UNL     1       3.938   5.170   0.068  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.876  -2.667   0.572  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.333  -1.357  -1.450  1.00  0.00           H  
HETATM   53  H   UNL     1       6.324  -5.185   0.199  1.00  0.00           H  
HETATM   54  H   UNL     1       6.433  -2.726   0.198  1.00  0.00           H  
HETATM   55  H   UNL     1       1.787  -6.089  -0.679  1.00  0.00           H  
HETATM   56  H   UNL     1       1.466  -5.631   1.009  1.00  0.00           H  
HETATM   57  H   UNL     1       6.369  -0.896   0.189  1.00  0.00           H  
HETATM   58  H   UNL     1       8.642   3.695   0.273  1.00  0.00           H  
HETATM   59  H   UNL     1       5.753   6.823   0.143  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.804  -3.973   0.839  1.00  0.00           H  
HETATM   61  HXT UNL     1      -0.192   2.484  -1.364  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.553   1.784   0.880  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.605  -0.320  -1.889  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.414   1.423  -2.192  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.292   3.072  -0.588  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.958   3.498   1.175  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.403  -0.567   1.883  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.756  -1.115   0.136  1.00  0.00           H  
CONECT    1    6    7   29                                            
CONECT    2   25   24   24                                            
CONECT    3   20   20    4    6                                       
CONECT    4    5    5    3   21                                       
CONECT    5   18    4    4   44                                       
CONECT    6    3    1   45   46                                       
CONECT    7   21    1   47   48                                       
CONECT    8   23   20   22   22                                       
CONECT    9   25   26   11   11                                       
CONECT   10   27   28   28   49                                       
CONECT   11    9    9   28   50                                       
CONECT   12   30   30   13   51                                       
CONECT   13   14   14   12   15                                       
CONECT   14   31   32   13   13                                       
CONECT   15   13   16   16   35                                       
CONECT   16   15   15   37   52                                       
CONECT   17   38   43   43   39                                       
CONECT   18   19   19    5   53                                       
CONECT   19   18   18   20   54                                       
CONECT   20   19    8    3    3                                       
CONECT   21    4    7   55   56                                       
CONECT   22    8    8                                                 
CONECT   23   24    8   57                                            
CONECT   24    2    2   23   26                                       
CONECT   25   27   27    2    9                                       
CONECT   26   24    9                                                 
CONECT   27   25   25   10   58                                       
CONECT   28   10   10   11   59                                       
CONECT   29    1   31   31   30                                       
CONECT   30   29   12   12   60                                       
CONECT   31   29   29   14                                            
CONECT   32   14   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   61                                                 
CONECT   35   15   36   36   62                                       
CONECT   36   35   35   37                                            
CONECT   37   16   36   38                                            
CONECT   38   37   17   63   64                                       
CONECT   39   17   40   40   65                                       
CONECT   40   39   39   41   66                                       
CONECT   41   42   42   40                                            
CONECT   42   43   41   41   67                                       
CONECT   43   17   17   42   68                                       
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   39                                                      
CONECT   66   40                                                      
CONECT   67   42                                                      
CONECT   68   43                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
