COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.834   5.492  -0.949  1.00  0.00           C  
HETATM    2  C   UNL     1       2.312   4.288  -0.208  1.00  0.00           C  
HETATM    3  N   UNL     1       1.817   4.298   1.001  1.00  0.00           N  
HETATM    4  C   UNL     1       1.451   3.059   1.346  1.00  0.00           C  
HETATM    5  N   UNL     1       2.275   3.027  -0.688  1.00  0.00           N  
HETATM    6  C   UNL     1       2.729   2.585  -2.009  1.00  0.00           C  
HETATM    7  C   UNL     1       1.732   2.234   0.299  1.00  0.00           C  
HETATM    8  C   UNL     1       1.493   0.779   0.231  1.00  0.00           C  
HETATM    9  C   UNL     1       2.556  -0.113   0.174  1.00  0.00           C  
HETATM   10  C   UNL     1       2.293  -1.482   0.111  1.00  0.00           C  
HETATM   11  C   UNL     1       3.419  -2.438   0.050  1.00  0.00           C  
HETATM   12  N   UNL     1       3.307  -3.734  -0.012  1.00  0.00           N  
HETATM   13  C   UNL     1       4.420  -4.427  -0.060  1.00  0.00           C  
HETATM   14  C   UNL     1       5.553  -3.715  -0.040  1.00  0.00           C  
HETATM   15  S   UNL     1       5.127  -2.006   0.041  1.00  0.00           S  
HETATM   16  N   UNL     1       1.050  -1.937   0.105  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.008  -1.127   0.159  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.727  -1.507   0.164  1.00  0.00           S  
HETATM   19  C   UNL     1       0.166   0.259   0.230  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.102   0.965   0.288  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.188   2.367   0.358  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.172   0.186   0.252  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.877   0.790   0.304  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.441   1.345   0.352  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.484  -0.913   0.231  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.894  -0.927  -0.361  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.394  -2.370  -0.456  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.805  -2.384  -1.048  1.00  0.00           C  
HETATM   29  H   UNL     1       3.898   5.612  -0.743  1.00  0.00           H  
HETATM   30  H   UNL     1       2.685   5.352  -2.020  1.00  0.00           H  
HETATM   31  H   UNL     1       2.298   6.382  -0.621  1.00  0.00           H  
HETATM   32  H   UNL     1       1.012   2.765   2.287  1.00  0.00           H  
HETATM   33  H   UNL     1       3.802   2.394  -1.979  1.00  0.00           H  
HETATM   34  H   UNL     1       2.205   1.671  -2.286  1.00  0.00           H  
HETATM   35  H   UNL     1       2.519   3.362  -2.744  1.00  0.00           H  
HETATM   36  H   UNL     1       3.574   0.249   0.177  1.00  0.00           H  
HETATM   37  H   UNL     1       4.422  -5.506  -0.108  1.00  0.00           H  
HETATM   38  H   UNL     1       6.555  -4.117  -0.072  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.388   2.907   0.260  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.046   2.794   0.505  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.890   1.185   1.194  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.820  -1.508  -0.397  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.508  -1.334   1.236  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.563  -0.352   0.279  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.875  -0.484  -1.357  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.725  -2.945  -1.097  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.413  -2.814   0.540  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.473  -1.809  -0.407  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.785  -1.940  -2.043  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.160  -3.412  -1.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.657   1.513  -0.887  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    5    1    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    7    7    3   32                                       
CONECT    5    6    2    7                                            
CONECT    6    5   33   34   35                                       
CONECT    7    5    8    4    4                                       
CONECT    8    9    7   19   19                                       
CONECT    9   10   10    8   36                                       
CONECT   10   11    9    9   16                                       
CONECT   11   12   12   15   10                                       
CONECT   12   13   11   11                                            
CONECT   13   14   14   12   37                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   11                                                 
CONECT   16   10   17   17                                            
CONECT   17   16   16   19   18                                       
CONECT   18   17   22                                                 
CONECT   19    8    8   17   20                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   39   40                                            
CONECT   22   18   20   20   23                                       
CONECT   23   22   24   25   51                                       
CONECT   24   23   41                                                 
CONECT   25   23   26   42   43                                       
CONECT   26   25   27   44   45                                       
CONECT   27   26   28   46   47                                       
CONECT   28   27   48   49   50                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   23                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
