COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.684  -4.843   1.803  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.106  -4.516  -0.225  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.799  -4.115   0.462  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.790  -2.604   0.699  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.780  -1.877  -0.647  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.597   2.296   0.009  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.500   1.526  -0.106  1.00  0.00           N  
HETATM    8  C   UNL     1       1.123   0.633  -0.232  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.605   4.329   0.334  1.00  0.00           C  
HETATM   10  C   UNL     1       6.444  -1.325  -0.923  1.00  0.00           C  
HETATM   11  N   UNL     1       3.585   0.868  -0.182  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.941   0.243  -0.320  1.00  0.00           C  
HETATM   13  C   UNL     1       4.875   0.323  -0.165  1.00  0.00           C  
HETATM   14  C   UNL     1       5.866   0.901   0.621  1.00  0.00           C  
HETATM   15  C   UNL     1       7.427  -0.751  -0.137  1.00  0.00           C  
HETATM   16  O   UNL     1       2.670  -1.129  -0.501  1.00  0.00           O  
HETATM   17  C   UNL     1       2.514   0.060  -0.315  1.00  0.00           C  
HETATM   18  C   UNL     1       5.171  -0.790  -0.941  1.00  0.00           C  
HETATM   19  C   UNL     1       7.139   0.360   0.634  1.00  0.00           C  
HETATM   20  F   UNL     1       5.585   1.990   1.370  1.00  0.00           F  
HETATM   21  S   UNL     1      -0.090  -0.693  -0.447  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.583   0.233  -0.310  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.506   3.609   0.221  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.858   3.733   0.234  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.968   2.437   0.020  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.874   1.696  -0.092  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.010  -0.332  -0.417  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.771  -0.429  -0.420  1.00  0.00           N  
HETATM   29  H   UNL     1      -2.690  -5.919   1.634  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.753  -4.557   2.292  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.527  -4.569   2.438  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.113  -5.593  -0.394  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.949  -4.243   0.410  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.188  -3.998  -1.180  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.956  -4.389  -0.173  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.681  -2.319   1.259  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.901  -2.330   1.267  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.889  -2.162  -1.207  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.669  -2.150  -1.215  1.00  0.00           H  
HETATM   40  H   UNL     1       0.980   1.102   0.742  1.00  0.00           H  
HETATM   41  H   UNL     1       0.990   1.378  -1.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.532   5.392   0.511  1.00  0.00           H  
HETATM   43  H   UNL     1       6.674  -2.190  -1.527  1.00  0.00           H  
HETATM   44  H   UNL     1       3.462   1.826  -0.098  1.00  0.00           H  
HETATM   45  H   UNL     1       8.421  -1.172  -0.124  1.00  0.00           H  
HETATM   46  H   UNL     1       4.406  -1.236  -1.559  1.00  0.00           H  
HETATM   47  H   UNL     1       7.908   0.806   1.247  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.748   4.337   0.334  1.00  0.00           H  
CONECT    1    3   29   30   31                                       
CONECT    2    3   32   33   34                                       
CONECT    3    2    4    1   35                                       
CONECT    4    3    5   36   37                                       
CONECT    5    4   28   38   39                                       
CONECT    6    7   23   26   26                                       
CONECT    7   22   22    6                                            
CONECT    8   17   21   40   41                                       
CONECT    9   23   23   24   42                                       
CONECT   10   15   18   18   43                                       
CONECT   11   13   17   44                                            
CONECT   12   28   26   27   27                                       
CONECT   13   14   14   18   11                                       
CONECT   14   19   20   13   13                                       
CONECT   15   19   19   10   45                                       
CONECT   16   17   17                                                 
CONECT   17   11   16   16    8                                       
CONECT   18   10   10   13   46                                       
CONECT   19   15   15   14   47                                       
CONECT   20   14                                                      
CONECT   21    8   22                                                 
CONECT   22   21    7    7   28                                       
CONECT   23    6    9    9                                            
CONECT   24    9   25   25   48                                       
CONECT   25   26   24   24                                            
CONECT   26    6    6   12   25                                       
CONECT   27   12   12                                                 
CONECT   28   22    5   12                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
