COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -1.773   0.746   0.471  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.142   0.493   0.333  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.007   0.752   1.388  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.358   0.501   1.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.875  -0.044  -0.150  1.00  0.00           C  
HETATM    6  C   UNL     1       0.558   0.289  -0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       2.769   0.216  -0.410  1.00  0.00           C  
HETATM    8  C   UNL     1       4.636   0.248  -2.059  1.00  0.00           C  
HETATM    9  C   UNL     1       6.667  -0.948  -1.633  1.00  0.00           C  
HETATM   10  C   UNL     1       4.902  -1.010  -0.016  1.00  0.00           C  
HETATM   11  C   UNL     1       3.431   2.281   0.877  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.257   1.226  -0.759  1.00  0.00           C  
HETATM   13  C   UNL     1       3.729   3.335  -0.192  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.849  -0.007   0.059  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.990  -0.267  -0.993  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.639  -0.013  -0.861  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.249  -1.033  -0.752  1.00  0.00           O  
HETATM   18  C   UNL     1       1.128   1.366   0.544  1.00  0.00           C  
HETATM   19  N   UNL     1       2.462   1.315   0.353  1.00  0.00           N  
HETATM   20  C   UNL     1       1.617  -0.441  -0.701  1.00  0.00           C  
HETATM   21  C   UNL     1       4.126  -0.190  -0.836  1.00  0.00           C  
HETATM   22  C   UNL     1       5.903  -0.134  -2.450  1.00  0.00           C  
HETATM   23  C   UNL     1       6.167  -1.384  -0.419  1.00  0.00           C  
HETATM   24  C   UNL     1       4.359  -1.486   1.306  1.00  0.00           C  
HETATM   25  C   UNL     1       1.486  -1.705  -1.511  1.00  0.00           C  
HETATM   26  S   UNL     1      -7.573  -0.326  -0.115  1.00  0.00           S  
HETATM   27  O   UNL     1      -8.023  -0.556   1.213  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.643  -1.348  -1.100  1.00  0.00           O  
HETATM   29  O   UNL     1       4.756   4.211   0.276  1.00  0.00           O  
HETATM   30  F   UNL     1       4.105  -0.384   2.130  1.00  0.00           F  
HETATM   31  F   UNL     1       3.170  -2.194   1.095  1.00  0.00           F  
HETATM   32  F   UNL     1       5.296  -2.322   1.922  1.00  0.00           F  
HETATM   33  H   UNL     1      -1.470   1.492   1.011  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.624   1.148   2.317  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.032   0.702   2.068  1.00  0.00           H  
HETATM   36  H   UNL     1       4.039   0.879  -2.700  1.00  0.00           H  
HETATM   37  H   UNL     1       7.658  -1.244  -1.944  1.00  0.00           H  
HETATM   38  H   UNL     1       4.352   1.764   1.143  1.00  0.00           H  
HETATM   39  H   UNL     1       3.018   2.767   1.761  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.788   1.462  -1.714  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.333   1.119  -0.899  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.062   2.031  -0.050  1.00  0.00           H  
HETATM   43  H   UNL     1       4.059   2.842  -1.106  1.00  0.00           H  
HETATM   44  H   UNL     1       2.826   3.911  -0.396  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.377  -0.660  -1.921  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.968  -0.215  -1.683  1.00  0.00           H  
HETATM   47  H   UNL     1       0.598   2.121   1.106  1.00  0.00           H  
HETATM   48  H   UNL     1       6.299   0.204  -3.397  1.00  0.00           H  
HETATM   49  H   UNL     1       6.768  -2.020   0.214  1.00  0.00           H  
HETATM   50  H   UNL     1       1.355  -1.450  -2.563  1.00  0.00           H  
HETATM   51  H   UNL     1       2.387  -2.307  -1.393  1.00  0.00           H  
HETATM   52  H   UNL     1       0.622  -2.272  -1.164  1.00  0.00           H  
HETATM   53  H   UNL     1       4.997   4.905  -0.352  1.00  0.00           H  
CONECT    1    2    5   33                                            
CONECT    2   16    1    3    3                                       
CONECT    3    2    2    4   34                                       
CONECT    4   14   14    3   35                                       
CONECT    5    1   17   17    6                                       
CONECT    6   18   18    5   20                                       
CONECT    7   19   20   20   21                                       
CONECT    8   22   22   21   36                                       
CONECT    9   22   23   23   37                                       
CONECT   10   21   21   23   24                                       
CONECT   11   13   19   38   39                                       
CONECT   12   26   40   41   42                                       
CONECT   13   29   11   43   44                                       
CONECT   14   15   26    4    4                                       
CONECT   15   16   16   14   45                                       
CONECT   16   15   15    2   46                                       
CONECT   17    5    5                                                 
CONECT   18   19    6    6   47                                       
CONECT   19   11   18    7                                            
CONECT   20    6    7    7   25                                       
CONECT   21    8    7   10   10                                       
CONECT   22    8    8    9   48                                       
CONECT   23    9    9   10   49                                       
CONECT   24   10   30   32   31                                       
CONECT   25   20   50   51   52                                       
CONECT   26   27   27   12   14                                       
CONECT   26   28   28                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   13   53                                                 
CONECT   30   24                                                      
CONECT   31   24                                                      
CONECT   32   24                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
