COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.750   4.292   0.615  1.00  0.00           N  
HETATM    2  N   UNL     1       2.046  -2.737   0.743  1.00  0.00           N  
HETATM    3  C   UNL     1       4.360   1.348   2.113  1.00  0.00           C  
HETATM    4  C   UNL     1       4.868   0.727   0.987  1.00  0.00           C  
HETATM    5  C   UNL     1       4.674   1.286  -0.262  1.00  0.00           C  
HETATM    6  C   UNL     1       4.326  -2.622  -0.264  1.00  0.00           C  
HETATM    7  C   UNL     1       2.838  -2.832  -0.325  1.00  0.00           C  
HETATM    8  C   UNL     1       3.997  -2.564   2.229  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.182  -0.640  -0.400  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.095  -0.436  -1.914  1.00  0.00           C  
HETATM   11  C   UNL     1       0.166  -1.234  -2.631  1.00  0.00           C  
HETATM   12  C   UNL     1       1.135   1.357  -2.704  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.178   1.117  -2.336  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.582   0.262   0.816  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.480  -2.144   0.265  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.138  -2.482   1.005  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.081  -3.401   0.164  1.00  0.00           C  
HETATM   18  C   UNL     1       3.972   2.469  -0.390  1.00  0.00           C  
HETATM   19  C   UNL     1       3.460   3.096   0.739  1.00  0.00           C  
HETATM   20  C   UNL     1       3.652   2.528   1.993  1.00  0.00           C  
HETATM   21  S   UNL     1       5.765  -0.782   1.145  1.00  0.00           S  
HETATM   22  N   UNL     1       4.669  -2.018   1.033  1.00  0.00           N  
HETATM   23  C   UNL     1       2.492  -2.335   2.070  1.00  0.00           C  
HETATM   24  C   UNL     1       0.626  -3.054   0.569  1.00  0.00           C  
HETATM   25  O   UNL     1       6.596  -0.877  -0.004  1.00  0.00           O  
HETATM   26  O   UNL     1       6.269  -0.812   2.473  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.124  -1.804   0.186  1.00  0.00           C  
HETATM   28  O   UNL     1       2.336  -3.101  -1.396  1.00  0.00           O  
HETATM   29  O   UNL     1       0.470  -0.752   0.070  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.453  -1.855  -0.028  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.627  -0.776   0.005  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.662  -0.177  -2.304  1.00  0.00           C  
HETATM   33  C   UNL     1       1.482  -0.998  -2.990  1.00  0.00           C  
HETATM   34  C   UNL     1       1.967   0.299  -3.027  1.00  0.00           C  
HETATM   35  F   UNL     1       2.294  -2.031  -3.304  1.00  0.00           F  
HETATM   36  F   UNL     1       1.607   2.622  -2.736  1.00  0.00           F  
HETATM   37  N   UNL     1      -4.283   0.333   0.440  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.240  -1.049   0.733  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.186  -1.945  -0.088  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.571  -1.230   1.102  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.394  -3.561   0.545  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.180   1.246   1.211  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.609   1.561   0.500  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.911   1.915   1.647  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.247   3.124   1.705  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.277   3.985   0.617  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.974   3.632  -0.529  1.00  0.00           C  
HETATM   48  C   UNL     1      -3.633   2.420  -0.591  1.00  0.00           C  
HETATM   49  O   UNL     1      -1.624   5.176   0.675  1.00  0.00           O  
HETATM   50  C   UNL     1      -1.697   6.013  -0.481  1.00  0.00           C  
HETATM   51  H   UNL     1       2.614   4.686  -0.261  1.00  0.00           H  
HETATM   52  H   UNL     1       2.390   4.727   1.403  1.00  0.00           H  
HETATM   53  H   UNL     1       4.514   0.908   3.088  1.00  0.00           H  
HETATM   54  H   UNL     1       5.072   0.798  -1.140  1.00  0.00           H  
HETATM   55  H   UNL     1       4.835  -3.580  -0.366  1.00  0.00           H  
HETATM   56  H   UNL     1       4.635  -1.957  -1.071  1.00  0.00           H  
HETATM   57  H   UNL     1       4.206  -3.630   2.315  1.00  0.00           H  
HETATM   58  H   UNL     1       4.353  -2.046   3.120  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.742   0.218   0.108  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.454  -1.331  -2.422  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.710   0.416  -2.203  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.212  -2.246  -2.602  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.824   1.941  -2.072  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.167  -2.628   1.299  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.516  -4.245  -0.202  1.00  0.00           H  
HETATM   66  H   UNL     1       3.825   2.908  -1.365  1.00  0.00           H  
HETATM   67  H   UNL     1       3.256   3.013   2.872  1.00  0.00           H  
HETATM   68  H   UNL     1       2.272  -1.278   2.218  1.00  0.00           H  
HETATM   69  H   UNL     1       1.960  -2.920   2.820  1.00  0.00           H  
HETATM   70  H   UNL     1       0.514  -3.800  -0.217  1.00  0.00           H  
HETATM   71  H   UNL     1       0.224  -3.447   1.503  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.928  -2.695   0.065  1.00  0.00           H  
HETATM   73  H   UNL     1       2.993   0.484  -3.307  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.155  -0.395   1.460  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.852  -4.537   0.485  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.888   1.245   2.494  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.704   3.400   2.597  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.997   4.302  -1.375  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.172   2.143  -1.485  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.273   5.488  -1.337  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.739   6.260  -0.685  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.134   6.929  -0.302  1.00  0.00           H  
CONECT    1   19   51   52                                            
CONECT    2    7   23   24                                            
CONECT    3   20   20    4   53                                       
CONECT    4    3    5    5   21                                       
CONECT    5    4    4   18   54                                       
CONECT    6   22    7   55   56                                       
CONECT    7    6    2   28   28                                       
CONECT    8   23   22   57   58                                       
CONECT    9   30   31   10   59                                       
CONECT   10    9   32   60   61                                       
CONECT   11   32   32   33   62                                       
CONECT   12   34   13   13   36                                       
CONECT   13   12   12   32   63                                       
CONECT   14   37   38   42   42                                       
CONECT   15   38   38   39   17                                       
CONECT   16   40   40   41   64                                       
CONECT   17   41   41   15   65                                       
CONECT   18   19   19    5   66                                       
CONECT   19   18   18   20    1                                       
CONECT   20   19    3    3   67                                       
CONECT   21    4   22   25   25                                       
CONECT   21   26   26                                                 
CONECT   22   21    6    8                                            
CONECT   23    2    8   68   69                                       
CONECT   24    2   27   70   71                                       
CONECT   25   21   21                                                 
CONECT   26   21   21                                                 
CONECT   27   24   29   29   30                                       
CONECT   28    7    7                                                 
CONECT   29   27   27                                                 
CONECT   30   27    9   72                                            
CONECT   31    9   37   39   39                                       
CONECT   32   10   11   11   13                                       
CONECT   33   11   34   34   35                                       
CONECT   34   33   33   12   73                                       
CONECT   35   33                                                      
CONECT   36   12                                                      
CONECT   37   31   14   43                                            
CONECT   38   14   15   15   40                                       
CONECT   39   15   31   31                                            
CONECT   40   38   16   16   74                                       
CONECT   41   16   17   17   75                                       
CONECT   42   14   14                                                 
CONECT   43   37   44   44   48                                       
CONECT   44   43   43   45   76                                       
CONECT   45   44   46   46   77                                       
CONECT   46   45   45   47   49                                       
CONECT   47   46   48   48   78                                       
CONECT   48   47   47   43   79                                       
CONECT   49   46   50                                                 
CONECT   50   49   80   81   82                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   30                                                      
CONECT   73   34                                                      
CONECT   74   40                                                      
CONECT   75   41                                                      
CONECT   76   44                                                      
CONECT   77   45                                                      
CONECT   78   47                                                      
CONECT   79   48                                                      
CONECT   80   50                                                      
CONECT   81   50                                                      
CONECT   82   50                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
