COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.662  -0.841   0.184  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.426   0.352  -0.464  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.604   0.930  -0.722  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.611   0.083  -0.207  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.999  -0.988   0.345  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.605  -1.678   0.574  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.800  -2.753   1.419  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.723  -3.540   1.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.458  -3.255   1.308  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.259  -2.192   0.448  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.331  -1.400   0.067  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.148  -0.338  -0.827  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.566   1.770   0.322  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.147   3.961   1.157  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.583   3.143   0.127  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.124   1.267   1.531  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.722   2.076   2.491  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.724   3.386   2.341  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.030   0.839  -0.768  1.00  0.00           C  
HETATM   20  S   UNL     1       0.064  -0.407  -1.954  1.00  0.00           S  
HETATM   21  O   UNL     1       0.398  -1.780  -2.100  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.350   0.412  -3.038  1.00  0.00           O  
HETATM   23  C   UNL     1       1.476   0.376  -1.249  1.00  0.00           C  
HETATM   24  C   UNL     1       1.605   1.752  -1.307  1.00  0.00           C  
HETATM   25  C   UNL     1       2.713   2.366  -0.754  1.00  0.00           C  
HETATM   26  C   UNL     1       3.692   1.605  -0.142  1.00  0.00           C  
HETATM   27  C   UNL     1       3.563   0.231  -0.084  1.00  0.00           C  
HETATM   28  C   UNL     1       2.453  -0.384  -0.633  1.00  0.00           C  
HETATM   29  C   UNL     1       4.630  -0.598   0.582  1.00  0.00           C  
HETATM   30  F   UNL     1       5.169  -1.497  -0.345  1.00  0.00           F  
HETATM   31  F   UNL     1       5.642   0.241   1.061  1.00  0.00           F  
HETATM   32  F   UNL     1       4.071  -1.309   1.650  1.00  0.00           F  
HETATM   33  H   UNL     1      -4.758   1.870  -1.230  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.676   0.260  -0.247  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.490  -1.819   0.831  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.789  -2.978   1.790  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.872  -4.378   2.454  1.00  0.00           H  
HETATM   38  H   UNL     1       0.380  -3.868   1.607  1.00  0.00           H  
HETATM   39  H   UNL     1       0.731  -1.978   0.072  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.146   5.035   1.040  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.927   3.564  -0.806  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.108   0.199   1.691  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.387   4.017   3.150  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.019   1.357  -1.727  1.00  0.00           H  
HETATM   45  H   UNL     1       0.840   2.346  -1.785  1.00  0.00           H  
HETATM   46  H   UNL     1       2.813   3.441  -0.800  1.00  0.00           H  
HETATM   47  H   UNL     1       4.557   2.086   0.289  1.00  0.00           H  
HETATM   48  H   UNL     1       2.350  -1.458  -0.583  1.00  0.00           H  
CONECT    1    6    2    5                                            
CONECT    2   19    1    3    3                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    1    4    4   35                                       
CONECT    6   11   11    7    1                                       
CONECT    7    8    8    6   36                                       
CONECT    8    9    7    7   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10    9    9   11   39                                       
CONECT   11   10   12    6    6                                       
CONECT   12   11   20   19                                            
CONECT   13   16   16   15   19                                       
CONECT   14   18   15   15   40                                       
CONECT   15   14   14   13   41                                       
CONECT   16   17   13   13   42                                       
CONECT   17   18   18   16                                            
CONECT   18   17   17   14   43                                       
CONECT   19   13   12    2   44                                       
CONECT   20   22   22   21   21                                       
CONECT   20   12   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   28   28   24                                       
CONECT   24   23   25   25   45                                       
CONECT   25   24   24   26   46                                       
CONECT   26   27   27   25   47                                       
CONECT   27   28   29   26   26                                       
CONECT   28   23   23   27   48                                       
CONECT   29   32   30   27   31                                       
CONECT   30   29                                                      
CONECT   31   29                                                      
CONECT   32   29                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
