COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.961  -3.580   1.687  1.00  0.00           C  
HETATM    2  S   UNL     1      -4.522  -2.517   0.328  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.111  -3.296  -0.704  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.173  -1.361   0.836  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.035  -1.899  -0.389  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.480  -0.724   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.423  -2.594  -1.415  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.256  -2.112  -1.980  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.699  -0.935  -1.520  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.309  -0.238  -0.486  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.744   0.954  -0.014  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.306   2.215  -0.091  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.494   2.711  -0.607  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.767   4.062  -0.524  1.00  0.00           C  
HETATM   15  F   UNL     1      -3.925   4.545  -1.027  1.00  0.00           F  
HETATM   16  C   UNL     1      -1.859   4.928   0.073  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.676   4.452   0.589  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.385   3.088   0.514  1.00  0.00           C  
HETATM   19  N   UNL     1       0.669   2.332   0.921  1.00  0.00           N  
HETATM   20  C   UNL     1       0.460   1.086   0.613  1.00  0.00           C  
HETATM   21  C   UNL     1       1.407  -0.048   0.911  1.00  0.00           C  
HETATM   22  C   UNL     1       1.345  -0.385   2.402  1.00  0.00           C  
HETATM   23  N   UNL     1       2.771   0.349   0.556  1.00  0.00           N  
HETATM   24  C   UNL     1       3.710  -0.612   0.242  1.00  0.00           C  
HETATM   25  N   UNL     1       3.388  -1.903   0.252  1.00  0.00           N  
HETATM   26  C   UNL     1       4.277  -2.828  -0.046  1.00  0.00           C  
HETATM   27  N   UNL     1       5.520  -2.534  -0.368  1.00  0.00           N  
HETATM   28  C   UNL     1       5.939  -1.272  -0.407  1.00  0.00           C  
HETATM   29  N   UNL     1       7.244  -0.975  -0.746  1.00  0.00           N  
HETATM   30  C   UNL     1       5.026  -0.245  -0.101  1.00  0.00           C  
HETATM   31  C   UNL     1       5.424   1.131  -0.133  1.00  0.00           C  
HETATM   32  N   UNL     1       5.740   2.221  -0.159  1.00  0.00           N  
HETATM   33  H   UNL     1      -3.383  -2.988   2.396  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.826  -4.010   2.192  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.338  -4.381   1.288  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.957  -0.184   0.884  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.856  -3.515  -1.776  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.780  -2.657  -2.782  1.00  0.00           H  
HETATM   39  H   UNL     1       0.212  -0.560  -1.961  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.203   2.043  -1.072  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.084   5.983   0.132  1.00  0.00           H  
HETATM   42  H   UNL     1       0.025   5.131   1.051  1.00  0.00           H  
HETATM   43  H   UNL     1       1.120  -0.924   0.328  1.00  0.00           H  
HETATM   44  H   UNL     1       0.330  -0.681   2.666  1.00  0.00           H  
HETATM   45  H   UNL     1       2.030  -1.205   2.618  1.00  0.00           H  
HETATM   46  H   UNL     1       1.632   0.490   2.984  1.00  0.00           H  
HETATM   47  H   UNL     1       3.015   1.288   0.541  1.00  0.00           H  
HETATM   48  H   UNL     1       3.976  -3.865  -0.026  1.00  0.00           H  
HETATM   49  H   UNL     1       7.864  -1.689  -0.959  1.00  0.00           H  
HETATM   50  H   UNL     1       7.540  -0.051  -0.772  1.00  0.00           H  
CONECT    1    2   33   34   35                                       
CONECT    2    3    3    1    5                                       
CONECT    2    4    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2    7    7                                       
CONECT    6   10   10    5   36                                       
CONECT    7    5    5    8   37                                       
CONECT    8    9    9    7   38                                       
CONECT    9   10    8    8   39                                       
CONECT   10   11    6    6    9                                       
CONECT   11   12   20   10                                            
CONECT   12   13   13   18   11                                       
CONECT   13   14   12   12   40                                       
CONECT   14   15   16   16   13                                       
CONECT   15   14                                                      
CONECT   16   14   14   17   41                                       
CONECT   17   16   18   18   42                                       
CONECT   18   17   17   12   19                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   11   21                                       
CONECT   21   20   22   23   43                                       
CONECT   22   21   44   45   46                                       
CONECT   23   21   24   47                                            
CONECT   24   23   25   25   30                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28                                            
CONECT   28   30   30   27   29                                       
CONECT   29   28   49   50                                            
CONECT   30   24   31   28   28                                       
CONECT   31   30   32   32   32                                       
CONECT   32   31   31   31                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
