COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.697   5.641  -0.184  1.00  0.00           N  
HETATM    2  C   UNL     1       3.151   4.345   0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       2.494   3.549   1.003  1.00  0.00           C  
HETATM    4  C   UNL     1       2.946   2.268   1.255  1.00  0.00           C  
HETATM    5  C   UNL     1       4.051   1.779   0.584  1.00  0.00           C  
HETATM    6  C   UNL     1       4.708   2.569  -0.342  1.00  0.00           C  
HETATM    7  C   UNL     1       4.258   3.848  -0.603  1.00  0.00           C  
HETATM    8  S   UNL     1       4.625   0.145   0.910  1.00  0.00           S  
HETATM    9  O   UNL     1       5.998   0.121   0.544  1.00  0.00           O  
HETATM   10  O   UNL     1       4.161  -0.192   2.210  1.00  0.00           O  
HETATM   11  N   UNL     1       3.844  -0.868  -0.143  1.00  0.00           N  
HETATM   12  C   UNL     1       4.431  -1.156  -1.454  1.00  0.00           C  
HETATM   13  C   UNL     1       5.237  -2.454  -1.376  1.00  0.00           C  
HETATM   14  C   UNL     1       5.746  -2.822  -2.772  1.00  0.00           C  
HETATM   15  C   UNL     1       6.427  -2.260  -0.434  1.00  0.00           C  
HETATM   16  C   UNL     1       2.566  -1.474   0.237  1.00  0.00           C  
HETATM   17  C   UNL     1       1.416  -0.622  -0.302  1.00  0.00           C  
HETATM   18  O   UNL     1       1.435  -0.645  -1.731  1.00  0.00           O  
HETATM   19  C   UNL     1       0.084  -1.185   0.199  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.008  -0.301  -0.218  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.159  -0.276   0.483  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.291  -0.987   1.460  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.162   0.535   0.100  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.373   0.510   0.901  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.314   1.575   2.016  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.017   2.731   1.549  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.509   2.514   0.219  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.495   2.916  -0.721  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.615   2.084  -1.883  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.266   0.762  -1.438  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.595   0.964   0.065  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.134  -2.579  -0.391  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.604  -2.984  -0.419  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.749  -3.544   0.117  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.672  -4.302   1.270  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.451  -4.502   1.886  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.306  -3.943   1.350  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.383  -3.184   0.197  1.00  0.00           C  
HETATM   39  F   UNL     1      -4.374  -0.302  -1.610  1.00  0.00           F  
HETATM   40  F   UNL     1      -6.445   0.533  -2.156  1.00  0.00           F  
HETATM   41  H   UNL     1       3.154   6.194  -0.836  1.00  0.00           H  
HETATM   42  H   UNL     1       1.921   5.985   0.287  1.00  0.00           H  
HETATM   43  H   UNL     1       1.631   3.931   1.529  1.00  0.00           H  
HETATM   44  H   UNL     1       2.435   1.648   1.978  1.00  0.00           H  
HETATM   45  H   UNL     1       5.571   2.184  -0.864  1.00  0.00           H  
HETATM   46  H   UNL     1       4.768   4.463  -1.329  1.00  0.00           H  
HETATM   47  H   UNL     1       3.636  -1.266  -2.191  1.00  0.00           H  
HETATM   48  H   UNL     1       5.087  -0.337  -1.746  1.00  0.00           H  
HETATM   49  H   UNL     1       4.602  -3.255  -0.999  1.00  0.00           H  
HETATM   50  H   UNL     1       6.382  -2.021  -3.149  1.00  0.00           H  
HETATM   51  H   UNL     1       6.321  -3.747  -2.717  1.00  0.00           H  
HETATM   52  H   UNL     1       4.899  -2.960  -3.443  1.00  0.00           H  
HETATM   53  H   UNL     1       7.062  -1.459  -0.812  1.00  0.00           H  
HETATM   54  H   UNL     1       6.064  -1.998   0.560  1.00  0.00           H  
HETATM   55  H   UNL     1       7.002  -3.184  -0.379  1.00  0.00           H  
HETATM   56  H   UNL     1       2.501  -2.478  -0.182  1.00  0.00           H  
HETATM   57  H   UNL     1       2.498  -1.530   1.324  1.00  0.00           H  
HETATM   58  H   UNL     1       1.530   0.405   0.046  1.00  0.00           H  
HETATM   59  H   UNL     1       1.338  -1.528  -2.111  1.00  0.00           H  
HETATM   60  H   UNL     1       0.104  -1.250   1.287  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.902   0.266  -0.997  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.536  -0.482   1.322  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.790   1.192   2.919  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.276   1.833   2.227  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.464   3.008   0.041  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.245   2.575  -2.626  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.629   1.890  -2.304  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.543   0.521   0.371  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.243  -2.503  -1.473  1.00  0.00           H  
HETATM   70  H   UNL     1       0.721  -3.212  -0.156  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.663  -2.395  -1.322  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.703  -3.388  -0.364  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.567  -4.739   1.689  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.391  -5.094   2.788  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.352  -4.099   1.831  1.00  0.00           H  
CONECT    1    2   41   42                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   43                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6    8                                       
CONECT    6    7    7    5   45                                       
CONECT    7    2    6    6   46                                       
CONECT    8    9    9    5   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   16   12                                            
CONECT   12   11   13   47   48                                       
CONECT   13   12   14   15   49                                       
CONECT   14   13   50   51   52                                       
CONECT   15   13   53   54   55                                       
CONECT   16   11   17   56   57                                       
CONECT   17   19   16   18   58                                       
CONECT   18   17   59                                                 
CONECT   19   32   20   17   60                                       
CONECT   20   19   21   61                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24                                                 
CONECT   24   31   23   25   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   27   25                                                 
CONECT   27   31   28   26   65                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   66   67                                       
CONECT   30   40   39   29   31                                       
CONECT   31   30   27   24   68                                       
CONECT   32   38   19   69   70                                       
CONECT   33   34   34   38   71                                       
CONECT   34   35   33   33   72                                       
CONECT   35   36   36   34   73                                       
CONECT   36   35   35   37   74                                       
CONECT   37   36   38   38   75                                       
CONECT   38   37   37   33   32                                       
CONECT   39   30                                                      
CONECT   40   30                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
