COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       4.526   0.356  -1.337  1.00  0.00           S  
HETATM    2  O   UNL     1       1.972   2.747  -1.436  1.00  0.00           O  
HETATM    3  OXT UNL     1       8.038  -0.391   1.664  1.00  0.00           O  
HETATM    4  O   UNL     1       5.935  -0.611   2.305  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.106   1.523   0.851  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.157  -0.596  -1.871  1.00  0.00           O  
HETATM    7  O   UNL     1      -5.496  -0.865  -1.953  1.00  0.00           O  
HETATM    8  O   UNL     1      -7.945  -0.245  -0.902  1.00  0.00           O  
HETATM    9  N   UNL     1       4.949   1.434   0.967  1.00  0.00           N  
HETATM   10  N   UNL     1       1.511   0.463  -0.236  1.00  0.00           N  
HETATM   11  N   UNL     1      -2.161   0.155  -0.034  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.484   0.166  -0.262  1.00  0.00           N  
HETATM   13  N   UNL     1      -6.994   1.175   0.525  1.00  0.00           N  
HETATM   14  C   UNL     1       3.877   0.588   0.371  1.00  0.00           C  
HETATM   15  C   UNL     1       6.291   0.315  -0.829  1.00  0.00           C  
HETATM   16  CA  UNL     1       6.276   0.951   0.574  1.00  0.00           C  
HETATM   17  CA  UNL     1       2.536   1.325   0.356  1.00  0.00           C  
HETATM   18  C   UNL     1       2.665   2.586  -0.460  1.00  0.00           C  
HETATM   19  C   UNL     1       6.798  -1.127  -0.761  1.00  0.00           C  
HETATM   20  C   UNL     1       7.147   1.141  -1.790  1.00  0.00           C  
HETATM   21  C   UNL     1       6.737  -0.074   1.578  1.00  0.00           C  
HETATM   22  C   UNL     1       0.213   0.645   0.078  1.00  0.00           C  
HETATM   23  CA  UNL     1      -0.842  -0.242  -0.531  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.573  -1.676  -0.151  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.263  -0.109  -0.762  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.954  -2.144   1.093  1.00  0.00           C  
HETATM   27  C   UNL     1       0.049  -2.524  -1.048  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.608   0.863   1.018  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.777   1.844   0.984  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.588  -0.197  -0.945  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.707  -3.459   1.442  1.00  0.00           C  
HETATM   32  C   UNL     1       0.296  -3.838  -0.699  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.930   0.235  -0.442  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.286   1.518   1.125  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.080  -4.305   0.546  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.540   0.619   2.337  1.00  0.00           C  
HETATM   37  HXT UNL     1       8.286  -1.054   2.323  1.00  0.00           H  
HETATM   38  H   UNL     1       4.861   1.474   1.971  1.00  0.00           H  
HETATM   39  H   UNL     1       1.766  -0.240  -0.854  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.241   0.609   0.820  1.00  0.00           H  
HETATM   41  H   UNL     1       3.793  -0.365   0.892  1.00  0.00           H  
HETATM   42  HA  UNL     1       6.973   1.789   0.587  1.00  0.00           H  
HETATM   43  HA  UNL     1       2.251   1.581   1.377  1.00  0.00           H  
HETATM   44  H   UNL     1       3.377   3.345  -0.173  1.00  0.00           H  
HETATM   45  H   UNL     1       6.726  -1.584  -1.747  1.00  0.00           H  
HETATM   46  H   UNL     1       7.838  -1.131  -0.433  1.00  0.00           H  
HETATM   47  H   UNL     1       6.192  -1.693  -0.053  1.00  0.00           H  
HETATM   48  H   UNL     1       7.111   0.695  -2.784  1.00  0.00           H  
HETATM   49  H   UNL     1       6.764   2.160  -1.834  1.00  0.00           H  
HETATM   50  H   UNL     1       8.178   1.156  -1.436  1.00  0.00           H  
HETATM   51  HA  UNL     1      -0.817  -0.144  -1.616  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.443  -1.483   1.792  1.00  0.00           H  
HETATM   53  H   UNL     1       0.343  -2.159  -2.021  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.774   0.134   1.811  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.686   1.409   1.221  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.539   2.663   0.305  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.941   2.243   1.985  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.004  -3.825   2.413  1.00  0.00           H  
HETATM   59  H   UNL     1       0.782  -4.501  -1.400  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.273   2.561   1.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.078   1.371   0.391  1.00  0.00           H  
HETATM   62  H   UNL     1       0.113  -5.332   0.819  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.552  -0.423   2.020  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.748   0.767   3.071  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.501   0.875   2.783  1.00  0.00           H  
CONECT    1   15   14                                                 
CONECT    2   18   18                                                 
CONECT    3   21   37                                                 
CONECT    4   21   21                                                 
CONECT    5   22   22                                                 
CONECT    6   25   25                                                 
CONECT    7   30   30                                                 
CONECT    8   33   33                                                 
CONECT    9   16   14   38                                            
CONECT   10   17   22   39                                            
CONECT   11   25   23   40                                            
CONECT   12   28   25   30                                            
CONECT   13   29   34   33                                            
CONECT   14    9   17    1   41                                       
CONECT   15   16   20   19    1                                       
CONECT   16   21    9   15   42                                       
CONECT   17   18   10   14   43                                       
CONECT   18    2    2   17   44                                       
CONECT   19   15   45   46   47                                       
CONECT   20   15   48   49   50                                       
CONECT   21    4    4    3   16                                       
CONECT   22   10   23    5    5                                       
CONECT   23   24   22   11   51                                       
CONECT   24   26   23   27   27                                       
CONECT   25    6    6   12   11                                       
CONECT   26   31   31   24   52                                       
CONECT   27   24   24   32   53                                       
CONECT   28   29   12   54   55                                       
CONECT   29   28   13   56   57                                       
CONECT   30   12    7    7   33                                       
CONECT   31   26   26   35   58                                       
CONECT   32   35   35   27   59                                       
CONECT   33   13   30    8    8                                       
CONECT   34   13   36   60   61                                       
CONECT   35   31   32   32   62                                       
CONECT   36   34   63   64   65                                       
CONECT   37    3                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
