COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.449   2.002   1.025  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.133   1.255   0.354  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.601   1.120   0.441  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.581   1.718   1.216  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.912   1.355   1.046  1.00  0.00           C  
HETATM    6  O   UNL     1     -11.875   1.940   1.804  1.00  0.00           O  
HETATM    7  C   UNL     1     -11.263   0.394   0.100  1.00  0.00           C  
HETATM    8  O   UNL     1     -12.566   0.047  -0.059  1.00  0.00           O  
HETATM    9  C   UNL     1     -10.285  -0.210  -0.681  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.956   0.146  -0.517  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.692  -0.275  -1.152  1.00  0.00           C  
HETATM   12  O   UNL     1      -7.583  -1.105  -2.032  1.00  0.00           O  
HETATM   13  N   UNL     1      -6.681   0.417  -0.596  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.273   0.274  -0.973  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.623  -0.813  -0.114  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.214  -0.956  -0.491  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.437  -1.860   0.137  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.905  -2.558   1.017  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.028  -2.003  -0.240  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.318  -1.307  -1.382  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.100  -2.780   0.367  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.367  -3.640   1.544  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.500  -3.763   1.962  1.00  0.00           O  
HETATM   24  O   UNL     1       0.648  -4.285   2.151  1.00  0.00           O  
HETATM   25  N   UNL     1       1.118  -2.670  -0.251  1.00  0.00           N  
HETATM   26  N   UNL     1       1.068  -1.807  -1.307  1.00  0.00           N  
HETATM   27  C   UNL     1       2.017  -0.701  -1.127  1.00  0.00           C  
HETATM   28  CA  UNL     1       3.446  -1.250  -1.120  1.00  0.00           C  
HETATM   29  C   UNL     1       3.770  -1.822  -2.476  1.00  0.00           C  
HETATM   30  O   UNL     1       4.690  -1.372  -3.117  1.00  0.00           O  
HETATM   31  N   UNL     1       4.383  -0.168  -0.810  1.00  0.00           N  
HETATM   32  C   UNL     1       5.612  -0.456  -0.337  1.00  0.00           C  
HETATM   33  O   UNL     1       5.979  -1.612  -0.265  1.00  0.00           O  
HETATM   34  C   UNL     1       6.515   0.637   0.093  1.00  0.00           C  
HETATM   35  N   UNL     1       6.075   1.862   0.151  1.00  0.00           N  
HETATM   36  O   UNL     1       4.695   2.127  -0.025  1.00  0.00           O  
HETATM   37  C   UNL     1       4.369   3.518  -0.049  1.00  0.00           C  
HETATM   38  C   UNL     1       4.896   4.187   1.222  1.00  0.00           C  
HETATM   39  C   UNL     1       5.011   4.171  -1.274  1.00  0.00           C  
HETATM   40  C   UNL     1       2.872   3.681  -0.119  1.00  0.00           C  
HETATM   41  O   UNL     1       2.158   2.707  -0.146  1.00  0.00           O  
HETATM   42  O   UNL     1       2.332   4.910  -0.152  1.00  0.00           O  
HETATM   43  C   UNL     1       7.917   0.337   0.458  1.00  0.00           C  
HETATM   44  N   UNL     1       8.420  -0.897   0.411  1.00  0.00           N  
HETATM   45  C   UNL     1       9.663  -1.036   0.748  1.00  0.00           C  
HETATM   46  N   UNL     1      10.358  -2.234   0.762  1.00  0.00           N  
HETATM   47  S   UNL     1      10.334   0.531   1.186  1.00  0.00           S  
HETATM   48  C   UNL     1       8.780   1.293   0.856  1.00  0.00           C  
HETATM   49  H   UNL     1      -9.313   2.463   1.951  1.00  0.00           H  
HETATM   50  H   UNL     1     -12.248   2.743   1.415  1.00  0.00           H  
HETATM   51  H   UNL     1     -13.038   0.579  -0.714  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.560  -0.955  -1.413  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.205  -0.005  -2.024  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.756   1.220  -0.814  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.691  -0.534   0.938  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.139  -1.759  -0.273  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.841  -0.400  -1.192  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.771  -1.581  -2.335  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.344  -0.226  -1.244  1.00  0.00           H  
HETATM   60  H   UNL     1       0.416  -4.892   2.868  1.00  0.00           H  
HETATM   61  H   UNL     1       1.916  -3.144   0.029  1.00  0.00           H  
HETATM   62  H   UNL     1       1.905   0.010  -1.946  1.00  0.00           H  
HETATM   63  H   UNL     1       1.816  -0.199  -0.181  1.00  0.00           H  
HETATM   64  HA  UNL     1       3.531  -2.032  -0.366  1.00  0.00           H  
HETATM   65  H   UNL     1       3.180  -2.634  -2.875  1.00  0.00           H  
HETATM   66  H   UNL     1       4.120   0.756  -0.944  1.00  0.00           H  
HETATM   67  H   UNL     1       5.964   3.994   1.318  1.00  0.00           H  
HETATM   68  H   UNL     1       4.725   5.262   1.164  1.00  0.00           H  
HETATM   69  H   UNL     1       4.374   3.782   2.089  1.00  0.00           H  
HETATM   70  H   UNL     1       4.636   3.694  -2.179  1.00  0.00           H  
HETATM   71  H   UNL     1       4.763   5.232  -1.292  1.00  0.00           H  
HETATM   72  H   UNL     1       6.094   4.052  -1.223  1.00  0.00           H  
HETATM   73  H   UNL     1       1.368   4.965  -0.197  1.00  0.00           H  
HETATM   74  H   UNL     1       9.912  -3.056   0.504  1.00  0.00           H  
HETATM   75  H   UNL     1      11.290  -2.251   1.028  1.00  0.00           H  
HETATM   76  H   UNL     1       8.558   2.346   0.951  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3    5   49                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   50                                                 
CONECT    7    5    5    9    8                                       
CONECT    8    7   51                                                 
CONECT    9   10   10    7   52                                       
CONECT   10    3   11    9    9                                       
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14    2   11                                            
CONECT   14   15   13   53   54                                       
CONECT   15   16   14   55   56                                       
CONECT   16   17   15   57                                            
CONECT   17   16   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   21   21   17   20                                       
CONECT   20   26   19   58   59                                       
CONECT   21   22   25   19   19                                       
CONECT   22   23   23   21   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   60                                                 
CONECT   25   21   26   61                                            
CONECT   26   25   20   27                                            
CONECT   27   26   28   62   63                                       
CONECT   28   31   29   27   64                                       
CONECT   29   30   30   28   65                                       
CONECT   30   29   29                                                 
CONECT   31   32   28   66                                            
CONECT   32   34   31   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   35   43   32                                       
CONECT   35   34   34   36                                            
CONECT   36   35   37                                                 
CONECT   37   38   40   36   39                                       
CONECT   38   37   67   68   69                                       
CONECT   39   37   70   71   72                                       
CONECT   40   41   41   42   37                                       
CONECT   41   40   40                                                 
CONECT   42   40   73                                                 
CONECT   43   44   48   48   34                                       
CONECT   44   45   45   43                                            
CONECT   45   46   44   44   47                                       
CONECT   46   45   74   75                                            
CONECT   47   45   48                                                 
CONECT   48   47   43   43   76                                       
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
CONECT   73   42                                                      
CONECT   74   46                                                      
CONECT   75   46                                                      
CONECT   76   48                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
