COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.465  -0.653  -0.300  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.552  -0.672  -1.849  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.824   0.365  -0.853  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.097  -1.220  -0.581  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.077  -0.738   0.481  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.084  -0.826  -1.757  1.00  0.00           C  
HETATM    7  C   UNL     1       0.275  -0.854  -0.260  1.00  0.00           C  
HETATM    8  C   UNL     1       6.739   0.530  -0.852  1.00  0.00           C  
HETATM    9  C   UNL     1       6.203   1.241   0.364  1.00  0.00           C  
HETATM   10  O   UNL     1       7.282   1.158  -1.728  1.00  0.00           O  
HETATM   11  C   UNL     1       4.736   0.860   0.573  1.00  0.00           C  
HETATM   12  C   UNL     1       7.017   0.832   1.594  1.00  0.00           C  
HETATM   13  C   UNL     1       8.484   1.214   1.384  1.00  0.00           C  
HETATM   14  O   UNL     1       6.509   1.507   2.747  1.00  0.00           O  
HETATM   15  C   UNL     1       3.878   1.353  -0.616  1.00  0.00           C  
HETATM   16  C   UNL     1       2.872   0.184  -0.751  1.00  0.00           C  
HETATM   17  N   UNL     1       4.584  -0.600   0.574  1.00  0.00           N  
HETATM   18  S   UNL     1       1.344   0.550   0.157  1.00  0.00           S  
HETATM   19  CA  UNL     1       3.594  -0.988  -0.125  1.00  0.00           C  
HETATM   20  C   UNL     1       3.199  -2.406  -0.303  1.00  0.00           C  
HETATM   21  C   UNL     1       4.724   1.503  -1.882  1.00  0.00           C  
HETATM   22  OXT UNL     1       3.907  -3.382   0.296  1.00  0.00           O  
HETATM   23  O   UNL     1       2.238  -2.687  -0.989  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.286  -1.273   0.570  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.513  -0.692   0.911  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.232   0.014  -0.040  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.455   0.592   0.305  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.945   0.453   1.605  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.221  -0.252   2.544  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.012  -0.829   2.201  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.228   1.347  -0.702  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.800   1.467  -1.833  1.00  0.00           O  
HETATM   33  O   UNL     1      -9.408   1.903  -0.367  1.00  0.00           O  
HETATM   34  H   UNL     1      -1.807   0.298  -1.963  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.133  -2.309  -0.616  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.274   0.296   0.764  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.096  -1.386   1.357  1.00  0.00           H  
HETATM   38  H   UNL     1       0.221  -1.760  -2.230  1.00  0.00           H  
HETATM   39  H   UNL     1       0.409   0.016  -2.242  1.00  0.00           H  
HETATM   40  H   UNL     1       0.766  -1.793  -0.006  1.00  0.00           H  
HETATM   41  H   UNL     1       6.636  -0.541  -0.940  1.00  0.00           H  
HETATM   42  H   UNL     1       6.281   2.319   0.219  1.00  0.00           H  
HETATM   43  H   UNL     1       4.366   1.280   1.509  1.00  0.00           H  
HETATM   44  H   UNL     1       6.939  -0.245   1.739  1.00  0.00           H  
HETATM   45  H   UNL     1       8.562   2.291   1.239  1.00  0.00           H  
HETATM   46  H   UNL     1       9.063   0.922   2.260  1.00  0.00           H  
HETATM   47  H   UNL     1       8.871   0.699   0.505  1.00  0.00           H  
HETATM   48  H   UNL     1       6.548   2.471   2.687  1.00  0.00           H  
HETATM   49  H   UNL     1       3.368   2.285  -0.373  1.00  0.00           H  
HETATM   50  H   UNL     1       2.655  -0.015  -1.801  1.00  0.00           H  
HETATM   51  H   UNL     1       5.132   0.532  -2.163  1.00  0.00           H  
HETATM   52  H   UNL     1       4.101   1.883  -2.692  1.00  0.00           H  
HETATM   53  H   UNL     1       5.540   2.200  -1.693  1.00  0.00           H  
HETATM   54  HXT UNL     1       3.612  -4.292   0.151  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.027  -2.123   0.960  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.848   0.118  -1.044  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.891   0.899   1.876  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.601  -0.358   3.549  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.451  -1.383   2.939  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.878   2.388  -1.060  1.00  0.00           H  
CONECT    1    3    3    4   24                                       
CONECT    2    6    4   34                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   35                                       
CONECT    5    4    7   36   37                                       
CONECT    6    2    7   38   39                                       
CONECT    7    5    6   18   40                                       
CONECT    8   10   10    9   41                                       
CONECT    9    8   11   12   42                                       
CONECT   10    8    8                                                 
CONECT   11    9   15   17   43                                       
CONECT   12    9   13   14   44                                       
CONECT   13   12   45   46   47                                       
CONECT   14   12   48                                                 
CONECT   15   11   21   16   49                                       
CONECT   16   15   19   18   50                                       
CONECT   17   11   19   19                                            
CONECT   18    7   16                                                 
CONECT   19   16   17   17   20                                       
CONECT   20   19   23   23   22                                       
CONECT   21   15   51   52   53                                       
CONECT   22   20   54                                                 
CONECT   23   20   20                                                 
CONECT   24    1   25   55                                            
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   56                                       
CONECT   27   26   31   28   28                                       
CONECT   28   27   27   29   57                                       
CONECT   29   28   30   30   58                                       
CONECT   30   25   29   29   59                                       
CONECT   31   27   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   60                                                 
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
