COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -8.386   1.064   1.188  1.00  0.00           O  
HETATM    2  C   UNL     1       1.032  -3.020  -1.579  1.00  0.00           C  
HETATM    3  C   UNL     1       1.832  -1.786   0.474  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.750  -2.360   0.995  1.00  0.00           C  
HETATM    5  C   UNL     1       0.442  -1.148   0.570  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.420  -0.678   0.682  1.00  0.00           C  
HETATM    7  C   UNL     1       4.533  -1.152   0.405  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.019  -1.906   1.215  1.00  0.00           C  
HETATM    9  C   UNL     1       5.445  -0.309   1.005  1.00  0.00           C  
HETATM   10  C   UNL     1       5.984   0.749   0.295  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.326  -2.332  -1.401  1.00  0.00           C  
HETATM   12  C   UNL     1       3.182  -1.839  -1.572  1.00  0.00           C  
HETATM   13  C   UNL     1       4.159  -0.939  -0.923  1.00  0.00           C  
HETATM   14  C   UNL     1       4.711   0.127  -1.635  1.00  0.00           C  
HETATM   15  N   UNL     1       8.654   1.191   0.798  1.00  0.00           N  
HETATM   16  C   UNL     1       5.614   0.969  -1.020  1.00  0.00           C  
HETATM   17  N   UNL     1       2.060  -2.201  -0.919  1.00  0.00           N  
HETATM   18  C   UNL     1      -7.451   1.723   0.474  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.715   2.799  -0.027  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.113   1.140   0.300  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.558  -2.075   0.026  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.141   1.814  -0.410  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.944   2.090  -1.368  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.357   2.525  -2.776  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.519   0.097  -0.071  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.849  -1.600   0.244  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.231  -0.378  -0.287  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.278   3.557  -1.648  1.00  0.00           C  
HETATM   29  F   UNL     1      -2.362  -3.547   1.510  1.00  0.00           F  
HETATM   30  N   UNL     1      -3.912   1.313  -0.589  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.781  -0.163   0.901  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.600  -0.788   1.554  1.00  0.00           O  
HETATM   33  O   UNL     1       3.390  -2.253  -2.696  1.00  0.00           O  
HETATM   34  S   UNL     1       7.148   1.823   1.070  1.00  0.00           S  
HETATM   35  O   UNL     1       7.094   3.052   0.360  1.00  0.00           O  
HETATM   36  O   UNL     1       6.917   1.722   2.468  1.00  0.00           O  
HETATM   37  H   UNL     1      -9.251   1.488   1.274  1.00  0.00           H  
HETATM   38  H   UNL     1       1.004  -4.009  -1.122  1.00  0.00           H  
HETATM   39  H   UNL     1       1.260  -3.112  -2.640  1.00  0.00           H  
HETATM   40  H   UNL     1       2.590  -1.061   0.770  1.00  0.00           H  
HETATM   41  H   UNL     1       1.880  -2.657   1.128  1.00  0.00           H  
HETATM   42  H   UNL     1       0.211  -0.935   1.614  1.00  0.00           H  
HETATM   43  H   UNL     1       0.428  -0.220  -0.002  1.00  0.00           H  
HETATM   44  H   UNL     1       4.113  -1.978   0.960  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.711  -2.494   1.800  1.00  0.00           H  
HETATM   46  H   UNL     1       5.738  -0.474   2.031  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.329  -1.388  -1.946  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.114  -2.978  -1.788  1.00  0.00           H  
HETATM   49  H   UNL     1       4.426   0.297  -2.662  1.00  0.00           H  
HETATM   50  H   UNL     1       9.422   1.780   0.736  1.00  0.00           H  
HETATM   51  H   UNL     1       8.768   0.233   0.701  1.00  0.00           H  
HETATM   52  H   UNL     1       6.042   1.795  -1.569  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.380   2.777  -0.836  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.897   1.834  -1.207  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.581   2.555  -3.541  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.348   2.232  -3.123  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.528   0.205  -0.863  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.217   3.944  -1.253  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.450   4.266  -1.671  1.00  0.00           H  
CONECT    1   18   37                                                 
CONECT    2   17   11   38   39                                       
CONECT    3    5   17   40   41                                       
CONECT    4   26   26    8   29                                       
CONECT    5    3   21   42   43                                       
CONECT    6   25   31    8    8                                       
CONECT    7   13   13    9   44                                       
CONECT    8    6    6    4   45                                       
CONECT    9    7   10   10   46                                       
CONECT   10    9    9   16   34                                       
CONECT   11   21    2   47   48                                       
CONECT   12   33   33   17   13                                       
CONECT   13   12    7    7   14                                       
CONECT   14   13   16   16   49                                       
CONECT   15   34   50   51                                            
CONECT   16   14   14   10   52                                       
CONECT   17    3   12    2                                            
CONECT   18   20   19   19    1                                       
CONECT   19   18   18                                                 
CONECT   20   22   22   18   31                                       
CONECT   21    5   26   11                                            
CONECT   22   30   20   20   53                                       
CONECT   23   28   24   30   54                                       
CONECT   24   28   23   55   56                                       
CONECT   25   30   27   27    6                                       
CONECT   26   27   21    4    4                                       
CONECT   27   25   25   26   57                                       
CONECT   28   24   23   58   59                                       
CONECT   29    4                                                      
CONECT   30   23   22   25                                            
CONECT   31   20    6   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   12   12                                                 
CONECT   34   10   15   35   35                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
