COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.221  -5.964  -1.354  1.00  0.00           O  
HETATM    2  C   UNL     1       1.765  -4.988  -1.815  1.00  0.00           C  
HETATM    3  OXT UNL     1       1.766  -4.786  -3.142  1.00  0.00           O  
HETATM    4  CA  UNL     1       2.435  -3.996  -0.901  1.00  0.00           C  
HETATM    5  N   UNL     1       2.717  -4.634   0.392  1.00  0.00           N  
HETATM    6  C   UNL     1       1.512  -2.795  -0.686  1.00  0.00           C  
HETATM    7  C   UNL     1       2.242  -1.730   0.135  1.00  0.00           C  
HETATM    8  S   UNL     1       1.119  -0.343   0.461  1.00  0.00           S1+
HETATM    9  C   UNL     1       2.118   0.753   1.505  1.00  0.00           C  
HETATM   10  C   UNL     1       3.171   1.427   0.663  1.00  0.00           C  
HETATM   11  C   UNL     1       4.439   0.882   0.580  1.00  0.00           C  
HETATM   12  C   UNL     1       2.865   2.584  -0.029  1.00  0.00           C  
HETATM   13  C   UNL     1       3.832   3.204  -0.804  1.00  0.00           C  
HETATM   14  C   UNL     1       5.110   2.659  -0.884  1.00  0.00           C  
HETATM   15  N   UNL     1       4.760  -0.360   1.317  1.00  0.00           N1+
HETATM   16  O   UNL     1       5.438  -1.223   0.790  1.00  0.00           O1-
HETATM   17  O   UNL     1       4.345  -0.519   2.451  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.071  -1.050   1.634  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.180  -0.032   1.910  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.886   0.264   0.693  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.265   0.497   1.052  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.545  -0.580   2.131  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.611  -0.175   2.991  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.202  -0.626   2.899  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.275   0.172   4.082  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.139   0.308  -0.109  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.870  -0.456  -1.206  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.866  -0.402  -2.041  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.836   0.397  -1.535  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.102   0.816  -1.976  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.604   0.390  -3.194  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.808   1.630  -1.197  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.338   2.040  -0.034  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.157   1.674   0.420  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.381   0.863  -0.289  1.00  0.00           C  
HETATM   36  C   UNL     1       7.352   2.648  -1.678  1.00  0.00           C  
HETATM   37  C   UNL     1       5.409   1.496  -0.192  1.00  0.00           C  
HETATM   38  O   UNL     1       6.062   3.264  -1.643  1.00  0.00           O  
HETATM   39  O   UNL     1       3.533   4.342  -1.485  1.00  0.00           O  
HETATM   40  C   UNL     1       2.201   4.844  -1.357  1.00  0.00           C  
HETATM   41  HXT UNL     1       1.320  -5.448  -3.688  1.00  0.00           H  
HETATM   42  HA  UNL     1       3.369  -3.660  -1.352  1.00  0.00           H  
HETATM   43  H1  UNL     1       3.197  -3.999   1.012  1.00  0.00           H  
HETATM   44  H2  UNL     1       1.870  -4.982   0.816  1.00  0.00           H  
HETATM   45  H   UNL     1       1.228  -2.378  -1.652  1.00  0.00           H  
HETATM   46  H   UNL     1       0.617  -3.115  -0.152  1.00  0.00           H  
HETATM   47  H   UNL     1       2.571  -2.162   1.080  1.00  0.00           H  
HETATM   48  H   UNL     1       3.108  -1.373  -0.422  1.00  0.00           H  
HETATM   49  H   UNL     1       1.476   1.510   1.957  1.00  0.00           H  
HETATM   50  H   UNL     1       2.599   0.169   2.290  1.00  0.00           H  
HETATM   51  H   UNL     1       1.872   3.004   0.035  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.506  -1.955   1.209  1.00  0.00           H  
HETATM   53  H   UNL     1       0.438  -1.294   2.566  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.751   0.881   2.321  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.390   1.497   1.466  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.764  -1.544   1.671  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.824  -0.816   3.683  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.939  -1.655   3.147  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.944  -0.123   4.715  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.963  -1.022  -1.359  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.079  -0.204  -3.753  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.479   0.686  -3.488  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.944   2.702   0.567  1.00  0.00           H  
HETATM   64  H   UNL     1       7.763   2.609  -0.669  1.00  0.00           H  
HETATM   65  H   UNL     1       7.261   1.637  -2.073  1.00  0.00           H  
HETATM   66  H   UNL     1       8.015   3.230  -2.318  1.00  0.00           H  
HETATM   67  H   UNL     1       6.399   1.069  -0.255  1.00  0.00           H  
HETATM   68  H   UNL     1       1.996   5.067  -0.310  1.00  0.00           H  
HETATM   69  H   UNL     1       2.096   5.753  -1.949  1.00  0.00           H  
HETATM   70  H   UNL     1       1.494   4.094  -1.713  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   41                                                 
CONECT    4    2    5    6   42                                       
CONECT    5    4   43   44                                            
CONECT    6    4    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   18                                            
CONECT    9    8   10   49   50                                       
CONECT   10   11    9   12   12                                       
CONECT   11   15   37   37   10                                       
CONECT   12   10   10   13   51                                       
CONECT   13   14   14   12   39                                       
CONECT   14   37   38   13   13                                       
CONECT   15   16   17   17   11                                       
CONECT   16   15                                                      
CONECT   17   15   15                                                 
CONECT   18    8   19   52   53                                       
CONECT   19   24   18   20   54                                       
CONECT   20   21   19                                                 
CONECT   21   26   22   20   55                                       
CONECT   22   24   21   23   56                                       
CONECT   23   22   57                                                 
CONECT   24   25   22   19   58                                       
CONECT   25   24   59                                                 
CONECT   26   27   35   21                                            
CONECT   27   28   28   26   60                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   35                                       
CONECT   30   31   29   29   32                                       
CONECT   31   30   61   62                                            
CONECT   32   30   33   33                                            
CONECT   33   32   32   34   63                                       
CONECT   34   35   35   33                                            
CONECT   35   29   26   34   34                                       
CONECT   36   38   64   65   66                                       
CONECT   37   11   11   14   67                                       
CONECT   38   36   14                                                 
CONECT   39   13   40                                                 
CONECT   40   39   68   69   70                                       
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   12                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   40                                                      
CONECT   69   40                                                      
CONECT   70   40                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
