COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.761   0.571   0.899  1.00  0.00           C  
HETATM    2  C   UNL     1       2.520   1.174   0.762  1.00  0.00           C  
HETATM    3  C   UNL     1       2.257   1.965  -0.371  1.00  0.00           C  
HETATM    4  C   UNL     1       0.943   2.598  -0.506  1.00  0.00           C  
HETATM    5  C   UNL     1       0.028   2.393   0.477  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.337   3.024   0.382  1.00  0.00           C  
HETATM    7  C   UNL     1       4.957  -3.173  -0.532  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.945   1.099   0.562  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.571   2.057  -1.588  1.00  0.00           C  
HETATM   10  C   UNL     1       4.727   0.756  -0.076  1.00  0.00           C  
HETATM   11  C   UNL     1       4.462   1.544  -1.195  1.00  0.00           C  
HETATM   12  C   UNL     1       3.243   2.136  -1.350  1.00  0.00           C  
HETATM   13  C   UNL     1       0.360   1.589   1.587  1.00  0.00           C  
HETATM   14  O   UNL     1       1.566   1.012   1.704  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.470   1.413   2.462  1.00  0.00           O  
HETATM   16  C   UNL     1       0.615   3.454  -1.702  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.304   2.040  -0.225  1.00  0.00           C  
HETATM   18  O   UNL     1       5.942   0.164   0.058  1.00  0.00           O  
HETATM   19  C   UNL     1       6.009  -1.184  -0.058  1.00  0.00           C  
HETATM   20  N   UNL     1       7.158  -1.795   0.183  1.00  0.00           N  
HETATM   21  C   UNL     1       7.257  -3.111   0.084  1.00  0.00           C  
HETATM   22  C   UNL     1       6.143  -3.847  -0.288  1.00  0.00           C  
HETATM   23  N   UNL     1       4.925  -1.856  -0.410  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.832   0.207  -0.037  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.060   0.257  -1.340  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.461   1.143  -2.114  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.485  -0.744   0.741  1.00  0.00           N  
HETATM   28  S   UNL     1      -5.540  -1.808   0.036  1.00  0.00           S  
HETATM   29  N   UNL     1      -4.661  -2.763  -0.992  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.641  -3.669  -0.457  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.006  -2.658   1.075  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.407  -1.032  -0.780  1.00  0.00           O  
HETATM   33  F   UNL     1      -2.711   1.044   1.891  1.00  0.00           F  
HETATM   34  H   UNL     1       3.975  -0.038   1.765  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.680   3.301   1.380  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.283   3.914  -0.244  1.00  0.00           H  
HETATM   37  H   UNL     1       4.070  -3.716  -0.824  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.087   2.779  -2.230  1.00  0.00           H  
HETATM   39  H   UNL     1       5.223   1.677  -1.950  1.00  0.00           H  
HETATM   40  H   UNL     1       3.043   2.746  -2.219  1.00  0.00           H  
HETATM   41  H   UNL     1       1.476   3.492  -2.369  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.236   3.027  -2.232  1.00  0.00           H  
HETATM   43  H   UNL     1       0.367   4.462  -1.370  1.00  0.00           H  
HETATM   44  H   UNL     1       8.197  -3.604   0.282  1.00  0.00           H  
HETATM   45  H   UNL     1       6.198  -4.921  -0.384  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.672   1.153  -3.173  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.321  -0.784   1.696  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.820  -2.723  -1.947  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.171  -4.211  -1.277  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.886  -3.092   0.077  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.108  -4.378   0.227  1.00  0.00           H  
CONECT    1   10   10    2   34                                       
CONECT    2    3    3    1   14                                       
CONECT    3   12    4    2    2                                       
CONECT    4   16    3    5    5                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5   17   35   36                                       
CONECT    7   23   22   22   37                                       
CONECT    8   33   17   17   24                                       
CONECT    9   17   26   26   38                                       
CONECT   10   11   18    1    1                                       
CONECT   11   12   12   10   39                                       
CONECT   12   11   11    3   40                                       
CONECT   13    5   14   15   15                                       
CONECT   14    2   13                                                 
CONECT   15   13   13                                                 
CONECT   16    4   41   42   43                                       
CONECT   17    6    8    8    9                                       
CONECT   18   10   19                                                 
CONECT   19   18   23   23   20                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   22   44                                       
CONECT   22    7    7   21   45                                       
CONECT   23   19   19    7                                            
CONECT   24    8   27   25   25                                       
CONECT   25   24   24   26                                            
CONECT   26    9    9   25   46                                       
CONECT   27   24   28   47                                            
CONECT   28   27   29   31   31                                       
CONECT   28   32   32                                                 
CONECT   29   30   28   48                                            
CONECT   30   29   49   50   51                                       
CONECT   31   28   28                                                 
CONECT   32   28   28                                                 
CONECT   33    8                                                      
CONECT   34    1                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
