COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.164   0.116  -0.983  1.00  0.00           C  
HETATM    2  C   UNL     1       1.439   1.428  -1.719  1.00  0.00           C  
HETATM    3  C   UNL     1       0.338   1.675  -2.751  1.00  0.00           C  
HETATM    4  C   UNL     1       0.544   3.045  -3.400  1.00  0.00           C  
HETATM    5  C   UNL     1       0.394   0.588  -3.827  1.00  0.00           C  
HETATM    6  C   UNL     1       2.310  -0.189  -0.054  1.00  0.00           C  
HETATM    7  C   UNL     1       4.684  -0.550   0.363  1.00  0.00           C  
HETATM    8  C   UNL     1       4.748   0.607   1.361  1.00  0.00           C  
HETATM    9  C   UNL     1       4.999   1.916   0.609  1.00  0.00           C  
HETATM   10  C   UNL     1       6.839   3.376   0.124  1.00  0.00           C  
HETATM   11  C   UNL     1       6.401   1.904  -0.044  1.00  0.00           C  
HETATM   12  O   UNL     1       4.259   3.266   2.477  1.00  0.00           O  
HETATM   13  C   UNL     1       4.499  -1.867   1.120  1.00  0.00           C  
HETATM   14  O   UNL     1       5.630  -2.094   1.964  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.263   0.011  -0.796  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.645  -0.136  -0.782  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.819   0.043   0.183  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.673  -0.935   1.351  1.00  0.00           C  
HETATM   19  C   UNL     1       5.046   3.080   1.574  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.826   1.477   0.717  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.192  -0.094   0.213  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.139   0.252   1.556  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.306   0.381   2.284  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.528   0.166   1.675  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.586  -0.179   0.336  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.419  -0.309  -0.396  1.00  0.00           C  
HETATM   27  F   UNL     1     -10.782  -0.390  -0.257  1.00  0.00           F  
HETATM   28  N   UNL     1      -0.073   0.241  -0.207  1.00  0.00           N  
HETATM   29  N   UNL     1       3.554  -0.348  -0.548  1.00  0.00           N  
HETATM   30  N   UNL     1       6.087   3.879   1.284  1.00  0.00           N  
HETATM   31  O   UNL     1      -2.400   0.126  -0.083  1.00  0.00           O  
HETATM   32  O   UNL     1       2.114  -0.292   1.139  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.311  -0.300  -1.969  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.045  -0.215  -0.504  1.00  0.00           O  
HETATM   35  S   UNL     1       4.347  -3.231  -0.066  1.00  0.00           S  
HETATM   36  H   UNL     1       1.058  -0.692  -1.707  1.00  0.00           H  
HETATM   37  H   UNL     1       1.457   2.250  -1.003  1.00  0.00           H  
HETATM   38  H   UNL     1       2.403   1.366  -2.224  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.634   1.649  -2.259  1.00  0.00           H  
HETATM   40  H   UNL     1       1.516   3.072  -3.893  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.241   3.221  -4.136  1.00  0.00           H  
HETATM   42  H   UNL     1       0.504   3.820  -2.634  1.00  0.00           H  
HETATM   43  H   UNL     1       1.366   0.614  -4.319  1.00  0.00           H  
HETATM   44  H   UNL     1       0.247  -0.388  -3.365  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.391   0.764  -4.562  1.00  0.00           H  
HETATM   46  H   UNL     1       5.610  -0.588  -0.210  1.00  0.00           H  
HETATM   47  H   UNL     1       3.803   0.674   1.901  1.00  0.00           H  
HETATM   48  H   UNL     1       5.559   0.433   2.068  1.00  0.00           H  
HETATM   49  H   UNL     1       4.229   2.076  -0.145  1.00  0.00           H  
HETATM   50  H   UNL     1       7.911   3.431   0.313  1.00  0.00           H  
HETATM   51  H   UNL     1       6.584   3.949  -0.768  1.00  0.00           H  
HETATM   52  H   UNL     1       7.074   1.234   0.491  1.00  0.00           H  
HETATM   53  H   UNL     1       6.338   1.633  -1.097  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.640  -1.158  -1.162  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.749   0.561  -1.614  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.844  -0.622   1.985  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.594  -0.943   1.935  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.478  -1.935   0.965  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.960   2.172  -0.112  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.644   1.597   1.427  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.879   1.684   1.216  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.184   0.419   2.033  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.263   0.649   3.329  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.440   0.267   2.246  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.463  -0.577  -1.442  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.035   0.490   0.729  1.00  0.00           H  
HETATM   67  H   UNL     1       3.701  -0.329  -1.506  1.00  0.00           H  
HETATM   68  H   UNL     1       6.315   4.683   1.777  1.00  0.00           H  
HETATM   69  O   UNL     1       3.066  -2.928  -0.830  1.00  0.00           O  
HETATM   70  O   UNL     1       5.369  -3.151  -1.051  1.00  0.00           O  
HETATM   71  O   UNL     1       4.074  -4.451   0.609  1.00  0.00           O  
HETATM   72  H   UNL     1       3.597  -1.813   1.729  1.00  0.00           H  
HETATM   73  H   UNL     1       5.773  -1.402   2.625  1.00  0.00           H  
HETATM   74  H   UNL     1       2.850  -3.581  -1.510  1.00  0.00           H  
CONECT    1    6   28    2   36                                       
CONECT    2    1    3   37   38                                       
CONECT    3    2    5    4   39                                       
CONECT    4    3   40   41   42                                       
CONECT    5    3   43   44   45                                       
CONECT    6   32   32   29    1                                       
CONECT    7    8   13   29   46                                       
CONECT    8    9    7   47   48                                       
CONECT    9   11   19    8   49                                       
CONECT   10   30   11   50   51                                       
CONECT   11   10    9   52   53                                       
CONECT   12   19   19                                                 
CONECT   13   14    7   35   72                                       
CONECT   14   13   73                                                 
CONECT   15   33   33   31   28                                       
CONECT   16   17   31   54   55                                       
CONECT   17   20   16   18   34                                       
CONECT   18   17   56   57   58                                       
CONECT   19   30   12   12    9                                       
CONECT   20   17   59   60   61                                       
CONECT   21   34   26   26   22                                       
CONECT   22   21   23   23   62                                       
CONECT   23   22   22   24   63                                       
CONECT   24   25   25   23   64                                       
CONECT   25   26   27   24   24                                       
CONECT   26   21   21   25   65                                       
CONECT   27   25                                                      
CONECT   28   15    1   66                                            
CONECT   29    7    6   67                                            
CONECT   30   10   19   68                                            
CONECT   31   16   15                                                 
CONECT   32    6    6                                                 
CONECT   33   15   15                                                 
CONECT   34   17   21                                                 
CONECT   35   13   69   70   70                                       
CONECT   35   71   71                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   35   74                                                 
CONECT   70   35   35                                                 
CONECT   71   35   35                                                 
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   69                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
