COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.782  -0.250   1.035  1.00  0.00           N  
HETATM    2  C   UNL     1       1.151   0.684   1.971  1.00  0.00           C  
HETATM    3  C   UNL     1       0.346  -0.101   3.009  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.794  -0.812   2.327  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.614  -2.093   1.837  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.020  -0.186   2.196  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.657  -2.747   1.211  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.064  -0.834   1.566  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.886  -2.118   1.074  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.914  -2.760   0.459  1.00  0.00           O  
HETATM   11  C   UNL     1       2.021   0.133  -0.254  1.00  0.00           C  
HETATM   12  C   UNL     1       3.266   0.026  -0.771  1.00  0.00           C  
HETATM   13  C   UNL     1       0.897   0.675  -1.100  1.00  0.00           C  
HETATM   14  C   UNL     1       5.674  -0.629  -0.552  1.00  0.00           C  
HETATM   15  C   UNL     1       6.694  -1.221   0.194  1.00  0.00           C  
HETATM   16  C   UNL     1       7.976  -1.270  -0.313  1.00  0.00           C  
HETATM   17  C   UNL     1       8.251  -0.733  -1.558  1.00  0.00           C  
HETATM   18  C   UNL     1       9.654  -0.789  -2.106  1.00  0.00           C  
HETATM   19  F   UNL     1       9.823  -1.970  -2.836  1.00  0.00           F  
HETATM   20  F   UNL     1       9.873   0.311  -2.942  1.00  0.00           F  
HETATM   21  F   UNL     1      10.569  -0.760  -1.048  1.00  0.00           F  
HETATM   22  C   UNL     1       7.244  -0.144  -2.302  1.00  0.00           C  
HETATM   23  C   UNL     1       5.957  -0.095  -1.809  1.00  0.00           C  
HETATM   24  C   UNL     1       4.296  -0.574  -0.014  1.00  0.00           C  
HETATM   25  O   UNL     1       4.050  -1.046   1.082  1.00  0.00           O  
HETATM   26  O   UNL     1      -9.203  -0.536   0.406  1.00  0.00           O  
HETATM   27  C   UNL     1      -8.792  -0.047  -0.777  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.702  -0.683  -1.136  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.401  -1.586  -0.191  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.338  -1.503   0.771  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.402  -2.331   2.029  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.456   1.029  -1.543  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.616   1.628  -1.050  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.230   2.631  -1.770  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.699   3.044  -2.979  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.550   2.454  -3.474  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.922   1.454  -2.761  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.028  -1.865   0.474  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.226  -2.530  -0.207  1.00  0.00           C  
HETATM   40  C   UNL     1       2.232   1.505   2.678  1.00  0.00           C  
HETATM   41  N   UNL     1       3.036   2.216   1.681  1.00  0.00           N  
HETATM   42  C   UNL     1       4.033   3.032   2.077  1.00  0.00           C  
HETATM   43  O   UNL     1       4.264   3.177   3.258  1.00  0.00           O  
HETATM   44  C   UNL     1       4.860   3.763   1.051  1.00  0.00           C  
HETATM   45  C   UNL     1       5.915   4.615   1.760  1.00  0.00           C  
HETATM   46  H   UNL     1       2.030  -1.140   1.330  1.00  0.00           H  
HETATM   47  H   UNL     1       0.486   1.353   1.425  1.00  0.00           H  
HETATM   48  H   UNL     1       0.993  -0.832   3.493  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.050   0.586   3.757  1.00  0.00           H  
HETATM   50  H   UNL     1       0.343  -2.582   1.944  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.158   0.814   2.580  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.516  -3.747   0.828  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.020  -0.342   1.461  1.00  0.00           H  
HETATM   54  H   UNL     1       3.472   0.399  -1.763  1.00  0.00           H  
HETATM   55  H   UNL     1       1.255   0.839  -2.116  1.00  0.00           H  
HETATM   56  H   UNL     1       0.076  -0.042  -1.115  1.00  0.00           H  
HETATM   57  H   UNL     1       0.549   1.618  -0.680  1.00  0.00           H  
HETATM   58  H   UNL     1       6.480  -1.640   1.166  1.00  0.00           H  
HETATM   59  H   UNL     1       8.766  -1.727   0.263  1.00  0.00           H  
HETATM   60  H   UNL     1       7.466   0.274  -3.273  1.00  0.00           H  
HETATM   61  H   UNL     1       5.172   0.365  -2.391  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.269  -2.030   2.618  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.490  -3.385   1.766  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.495  -2.176   2.613  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.031   1.306  -0.106  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.128   3.095  -1.389  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.185   3.830  -3.539  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.141   2.780  -4.419  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.025   0.994  -3.149  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.285  -1.622   1.505  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.768  -0.951  -0.060  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.969  -2.773  -1.238  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.487  -3.444   0.327  1.00  0.00           H  
HETATM   74  H   UNL     1       2.874   0.840   3.255  1.00  0.00           H  
HETATM   75  H   UNL     1       1.761   2.226   3.346  1.00  0.00           H  
HETATM   76  H   UNL     1       2.850   2.099   0.736  1.00  0.00           H  
HETATM   77  H   UNL     1       4.213   4.407   0.455  1.00  0.00           H  
HETATM   78  H   UNL     1       5.353   3.041   0.400  1.00  0.00           H  
HETATM   79  H   UNL     1       5.422   5.337   2.411  1.00  0.00           H  
HETATM   80  H   UNL     1       6.561   3.970   2.356  1.00  0.00           H  
HETATM   81  H   UNL     1       6.513   5.144   1.018  1.00  0.00           H  
CONECT    1    2   11   46                                            
CONECT    2    1    3   40   47                                       
CONECT    3    2    4   48   49                                       
CONECT    4    3    5    5    6                                       
CONECT    5    4    4    7   50                                       
CONECT    6    4    8    8   51                                       
CONECT    7    5    9    9   52                                       
CONECT    8    6    6    9   53                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   38                                                 
CONECT   11    1   12   12   13                                       
CONECT   12   11   11   24   54                                       
CONECT   13   11   55   56   57                                       
CONECT   14   15   15   23   24                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   17   17   59                                       
CONECT   17   16   16   18   22                                       
CONECT   18   17   19   20   21                                       
CONECT   19   18                                                      
CONECT   20   18                                                      
CONECT   21   18                                                      
CONECT   22   17   23   23   60                                       
CONECT   23   14   22   22   61                                       
CONECT   24   12   14   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   27   30                                                 
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   39                                       
CONECT   30   26   29   29   31                                       
CONECT   31   30   62   63   64                                       
CONECT   32   27   33   33   37                                       
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35   66                                       
CONECT   35   34   34   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   32   36   36   69                                       
CONECT   38   10   39   70   71                                       
CONECT   39   29   38   72   73                                       
CONECT   40    2   41   74   75                                       
CONECT   41   40   42   76                                            
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   77   78                                       
CONECT   45   44   79   80   81                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   39                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   44                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
