COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.881   3.931   0.517  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.278   0.316  -0.911  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.227  -0.517  -0.331  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.835  -1.695   0.275  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.500  -2.049   0.306  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.547  -1.220  -0.273  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.677  -2.325  -1.234  1.00  0.00           C  
HETATM    8  C   UNL     1       0.088  -3.516  -2.389  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.511  -4.914  -2.556  1.00  0.00           C  
HETATM   10  C   UNL     1       0.928  -4.752  -2.060  1.00  0.00           C  
HETATM   11  C   UNL     1       0.474  -2.355  -0.290  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.029  -1.544   0.822  1.00  0.00           C  
HETATM   13  C   UNL     1       0.788  -1.138   1.872  1.00  0.00           C  
HETATM   14  C   UNL     1       3.055  -0.707   1.225  1.00  0.00           C  
HETATM   15  C   UNL     1       2.645   0.373   0.456  1.00  0.00           C  
HETATM   16  C   UNL     1       3.582   1.150  -0.198  1.00  0.00           C  
HETATM   17  C   UNL     1       4.928   0.853  -0.088  1.00  0.00           C  
HETATM   18  C   UNL     1       5.342  -0.223   0.678  1.00  0.00           C  
HETATM   19  C   UNL     1       4.410  -1.004   1.335  1.00  0.00           C  
HETATM   20  C   UNL     1       1.132   0.040   3.982  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.029  -0.019   2.882  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.890  -0.403   1.848  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.337   0.016   1.867  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.398  -1.167   0.811  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.936  -0.037  -0.882  1.00  0.00           C  
HETATM   26  F   UNL     1       4.814  -2.055   2.082  1.00  0.00           F  
HETATM   27  I   UNL     1       6.343   2.034  -1.083  1.00  0.00           I  
HETATM   28  N   UNL     1      -6.059   3.063   0.600  1.00  0.00           N  
HETATM   29  N   UNL     1      -5.675   1.505  -1.529  1.00  0.00           N  
HETATM   30  N   UNL     1      -2.193  -1.580  -0.241  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.390  -2.705  -1.267  1.00  0.00           N  
HETATM   32  N   UNL     1       2.108  -1.493   1.893  1.00  0.00           N  
HETATM   33  N   UNL     1       0.265  -0.384   2.880  1.00  0.00           N  
HETATM   34  O   UNL     1      -7.849   1.670  -0.372  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.937   3.623  -1.638  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.409  -2.674  -2.140  1.00  0.00           O  
HETATM   37  O   UNL     1       1.639  -2.705  -0.331  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.459   0.660   3.800  1.00  0.00           O  
HETATM   39  S   UNL     1      -6.771   2.498  -0.785  1.00  0.00           S  
HETATM   40  H   UNL     1      -4.556   4.200   1.522  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.077   3.404   0.003  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.135   4.835  -0.037  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.271  -0.243  -0.353  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.574  -2.340   0.726  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.197  -2.970   0.781  1.00  0.00           H  
HETATM   46  H   UNL     1       0.338  -2.965  -3.296  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.261  -5.230  -1.831  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.655  -5.282  -3.572  1.00  0.00           H  
HETATM   49  H   UNL     1       1.730  -5.014  -2.750  1.00  0.00           H  
HETATM   50  H   UNL     1       1.125  -4.961  -1.008  1.00  0.00           H  
HETATM   51  H   UNL     1       1.594   0.605   0.369  1.00  0.00           H  
HETATM   52  H   UNL     1       3.262   1.990  -0.796  1.00  0.00           H  
HETATM   53  H   UNL     1       6.394  -0.453   0.762  1.00  0.00           H  
HETATM   54  H   UNL     1       1.516   1.040   3.779  1.00  0.00           H  
HETATM   55  H   UNL     1       0.560   0.052   4.910  1.00  0.00           H  
HETATM   56  H   UNL     1       1.965  -0.656   4.078  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.554   0.531   2.803  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.532   0.687   1.030  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.972  -0.865   1.782  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.197   0.608  -1.333  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.421   2.819   1.466  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.309   1.747  -2.394  1.00  0.00           H  
HETATM   63  H   UNL     1       2.389  -2.289   2.372  1.00  0.00           H  
CONECT    1   28   40   41   42                                       
CONECT    2   25   29    3    3                                       
CONECT    3    2    2    4   43                                       
CONECT    4    5    5    3   44                                       
CONECT    5    6    4    4   45                                       
CONECT    6   30   25   25    5                                       
CONECT    7   36   36   31   30                                       
CONECT    8   10    9   31   46                                       
CONECT    9   10    8   47   48                                       
CONECT   10    9    8   49   50                                       
CONECT   11   31   37   37   12                                       
CONECT   12   11   24   13   13                                       
CONECT   13   12   12   32   33                                       
CONECT   14   19   32   15   15                                       
CONECT   15   14   14   16   51                                       
CONECT   16   17   17   15   52                                       
CONECT   17   18   27   16   16                                       
CONECT   18   19   19   17   53                                       
CONECT   19   26   18   18   14                                       
CONECT   20   33   54   55   56                                       
CONECT   21   22   33   38   38                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   57   58   59                                       
CONECT   24   30   12   22   22                                       
CONECT   25    6    6    2   60                                       
CONECT   26   19                                                      
CONECT   27   17                                                      
CONECT   28    1   39   61                                            
CONECT   29   39    2   62                                            
CONECT   30    7    6   24                                            
CONECT   31    8    7   11                                            
CONECT   32   14   13   63                                            
CONECT   33   13   21   20                                            
CONECT   34   39   39                                                 
CONECT   35   39   39                                                 
CONECT   36    7    7                                                 
CONECT   37   11   11                                                 
CONECT   38   21   21                                                 
CONECT   39   28   35   35   29                                       
CONECT   39   34   34                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   32                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
