COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.919   0.766   0.415  1.00  0.00           C  
HETATM    2  C   UNL     1       4.597   3.255   0.743  1.00  0.00           C  
HETATM    3  C   UNL     1       3.683   2.043   0.934  1.00  0.00           C  
HETATM    4  C   UNL     1       2.364   2.296   0.251  1.00  0.00           C  
HETATM    5  C   UNL     1       1.259   1.501   0.549  1.00  0.00           C  
HETATM    6  CA  UNL     1      -0.227  -0.010   1.328  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.788  -1.127   2.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.343   0.631   0.037  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.344   0.868   0.981  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.672   0.740   0.621  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.009   0.377  -0.673  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.459   0.233  -1.058  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.735  -1.415  -1.278  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.021   0.141  -1.611  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.691   0.272  -1.266  1.00  0.00           C  
HETATM   16  C   UNL     1       0.037   1.754  -0.100  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.058   2.792  -1.030  1.00  0.00           C  
HETATM   18  C   UNL     1       1.038   3.559  -1.306  1.00  0.00           C  
HETATM   19  C   UNL     1       2.247   3.314  -0.669  1.00  0.00           C  
HETATM   20  C   UNL     1       4.706  -0.354   1.086  1.00  0.00           C  
HETATM   21  C   UNL     1       5.316  -1.266   0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       6.782  -1.568   0.319  1.00  0.00           C  
HETATM   23  C   UNL     1       7.327  -2.571  -0.699  1.00  0.00           C  
HETATM   24  C   UNL     1       8.793  -2.873  -0.383  1.00  0.00           C  
HETATM   25  C   UNL     1       4.632   0.700  -0.943  1.00  0.00           C  
HETATM   26  F   UNL     1      -5.642   0.968   1.533  1.00  0.00           F  
HETATM   27  N   UNL     1       1.076   0.438   1.401  1.00  0.00           N  
HETATM   28  N   UNL     1       4.316   0.858   0.350  1.00  0.00           N  
HETATM   29  N   UNL     1       9.316  -3.837  -1.361  1.00  0.00           N  
HETATM   30  O   UNL     1      -1.955  -1.437   1.949  1.00  0.00           O  
HETATM   31  OXT UNL     1      -0.009  -1.810   2.957  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.289  -2.335  -1.633  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.955  -1.719   0.644  1.00  0.00           O  
HETATM   34  O   UNL     1       5.205  -0.482  -1.220  1.00  0.00           O  
HETATM   35  O   UNL     1       4.420   1.548  -1.787  1.00  0.00           O  
HETATM   36  S   UNL     1      -6.999  -1.472  -0.754  1.00  0.00           S  
HETATM   37  H   UNL     1       4.127   4.137   1.178  1.00  0.00           H  
HETATM   38  H   UNL     1       5.551   3.072   1.237  1.00  0.00           H  
HETATM   39  H   UNL     1       4.765   3.420  -0.321  1.00  0.00           H  
HETATM   40  H   UNL     1       3.516   1.878   1.998  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.081   1.150   1.990  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.063   0.917  -0.462  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.580   0.469  -2.115  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.272  -0.683  -0.675  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.788  -1.130  -2.328  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.187  -2.398  -1.144  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.290  -0.141  -2.618  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.921   0.088  -2.000  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.996   2.987  -1.530  1.00  0.00           H  
HETATM   50  H   UNL     1       0.964   4.361  -2.025  1.00  0.00           H  
HETATM   51  H   UNL     1       3.105   3.928  -0.898  1.00  0.00           H  
HETATM   52  H   UNL     1       3.834  -0.826   1.537  1.00  0.00           H  
HETATM   53  H   UNL     1       5.448  -0.117   1.849  1.00  0.00           H  
HETATM   54  H   UNL     1       4.746  -2.191  -0.083  1.00  0.00           H  
HETATM   55  H   UNL     1       7.362  -0.646   0.268  1.00  0.00           H  
HETATM   56  H   UNL     1       6.858  -1.990   1.322  1.00  0.00           H  
HETATM   57  H   UNL     1       6.747  -3.492  -0.648  1.00  0.00           H  
HETATM   58  H   UNL     1       7.251  -2.149  -1.701  1.00  0.00           H  
HETATM   59  H   UNL     1       9.373  -1.952  -0.434  1.00  0.00           H  
HETATM   60  H   UNL     1       8.869  -3.295   0.619  1.00  0.00           H  
HETATM   61  H   UNL     1       1.763   0.058   1.971  1.00  0.00           H  
HETATM   62  H   UNL     1       9.198  -3.496  -2.303  1.00  0.00           H  
HETATM   63  H   UNL     1      10.284  -4.053  -1.173  1.00  0.00           H  
HETATM   64  HXT UNL     1      -0.467  -2.528   3.415  1.00  0.00           H  
CONECT    1    8    6    6   16                                       
CONECT    2    3   37   38   39                                       
CONECT    3    4   28    2   40                                       
CONECT    4    5    5   19    3                                       
CONECT    5   16   27    4    4                                       
CONECT    6    7    1    1   27                                       
CONECT    7   30   30    6   31                                       
CONECT    8   15   15    9    1                                       
CONECT    9   10   10    8   41                                       
CONECT   10   11   26    9    9                                       
CONECT   11   12   14   14   10                                       
CONECT   12   36   11   42   43                                       
CONECT   13   36   44   45   46                                       
CONECT   14   11   11   15   47                                       
CONECT   15   14    8    8   48                                       
CONECT   16    1   17   17    5                                       
CONECT   17   16   16   18   49                                       
CONECT   18   17   19   19   50                                       
CONECT   19   18   18    4   51                                       
CONECT   20   28   21   52   53                                       
CONECT   21   34   22   20   54                                       
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   29   59   60                                       
CONECT   25   35   35   34   28                                       
CONECT   26   10                                                      
CONECT   27    6    5   61                                            
CONECT   28   25    3   20                                            
CONECT   29   24   62   63                                            
CONECT   30    7    7                                                 
CONECT   31    7   64                                                 
CONECT   32   36   36                                                 
CONECT   33   36   36                                                 
CONECT   34   25   21                                                 
CONECT   35   25   25                                                 
CONECT   36   33   33   32   32                                       
CONECT   36   13   12                                                 
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
