COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.821   0.787   2.043  1.00  0.00           O  
HETATM    2  C   UNL     1       8.802   1.353   0.731  1.00  0.00           C  
HETATM    3  C   UNL     1       8.007   0.435  -0.204  1.00  0.00           C  
HETATM    4  N   UNL     1       6.697   0.167   0.411  1.00  0.00           N  
HETATM    5  C   UNL     1       6.670  -0.290   1.809  1.00  0.00           C  
HETATM    6  C   UNL     1       7.530   0.664   2.646  1.00  0.00           C  
HETATM    7  C   UNL     1       5.556   0.336  -0.286  1.00  0.00           C  
HETATM    8  O   UNL     1       5.594   0.787  -1.414  1.00  0.00           O  
HETATM    9  N   UNL     1       4.373   0.004   0.268  1.00  0.00           N  
HETATM   10  C   UNL     1       3.138   0.132  -0.510  1.00  0.00           C  
HETATM   11  C   UNL     1       1.971   0.308   0.426  1.00  0.00           C  
HETATM   12  O   UNL     1       2.152   0.326   1.625  1.00  0.00           O  
HETATM   13  C   UNL     1       2.932  -1.130  -1.351  1.00  0.00           C  
HETATM   14  C   UNL     1       4.037  -1.240  -2.370  1.00  0.00           C  
HETATM   15  C   UNL     1       5.200  -1.918  -2.058  1.00  0.00           C  
HETATM   16  C   UNL     1       3.884  -0.669  -3.620  1.00  0.00           C  
HETATM   17  C   UNL     1       6.213  -2.019  -2.993  1.00  0.00           C  
HETATM   18  C   UNL     1       4.896  -0.770  -4.555  1.00  0.00           C  
HETATM   19  C   UNL     1       6.062  -1.443  -4.241  1.00  0.00           C  
HETATM   20  N   UNL     1       0.725   0.447  -0.070  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.410   0.618   0.840  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.672   0.148   0.164  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.627  -0.288  -0.967  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.550   2.097   1.208  1.00  0.00           C  
HETATM   25  C   UNL     1       0.678   2.543   2.005  1.00  0.00           C  
HETATM   26  C   UNL     1       0.538   4.021   2.373  1.00  0.00           C  
HETATM   27  C   UNL     1       1.766   4.467   3.169  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.850   0.211   0.816  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.065  -0.311   0.185  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.727  -1.328   1.117  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.867  -2.591   1.187  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.622  -3.681   1.951  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.556  -2.276   1.912  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.762  -4.944   2.021  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.696  -3.540   1.982  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.452  -4.629   2.745  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.035   0.841  -0.085  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.493   1.378   1.158  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.367   1.862  -0.828  1.00  0.00           O  
HETATM   40  C   UNL     1      -6.230   0.324  -0.889  1.00  0.00           C  
HETATM   41  F   UNL     1      -5.778  -0.539  -1.893  1.00  0.00           F  
HETATM   42  F   UNL     1      -7.101  -0.365  -0.038  1.00  0.00           F  
HETATM   43  C   UNL     1      -6.955   1.487  -1.515  1.00  0.00           C  
HETATM   44  O   UNL     1      -6.363   2.522  -1.737  1.00  0.00           O  
HETATM   45  N   UNL     1      -8.261   1.377  -1.829  1.00  0.00           N  
HETATM   46  C   UNL     1      -8.965   2.508  -2.438  1.00  0.00           C  
HETATM   47  H   UNL     1       8.329   2.335   0.765  1.00  0.00           H  
HETATM   48  H   UNL     1       9.823   1.453   0.363  1.00  0.00           H  
HETATM   49  H   UNL     1       7.867   0.924  -1.168  1.00  0.00           H  
HETATM   50  H   UNL     1       8.546  -0.503  -0.343  1.00  0.00           H  
HETATM   51  H   UNL     1       5.645  -0.280   2.179  1.00  0.00           H  
HETATM   52  H   UNL     1       7.075  -1.300   1.873  1.00  0.00           H  
HETATM   53  H   UNL     1       7.636   0.268   3.656  1.00  0.00           H  
HETATM   54  H   UNL     1       7.053   1.643   2.687  1.00  0.00           H  
HETATM   55  H   UNL     1       4.339  -0.319   1.182  1.00  0.00           H  
HETATM   56  H   UNL     1       3.211   0.998  -1.168  1.00  0.00           H  
HETATM   57  H   UNL     1       2.948  -2.005  -0.702  1.00  0.00           H  
HETATM   58  H   UNL     1       1.971  -1.073  -1.861  1.00  0.00           H  
HETATM   59  H   UNL     1       5.318  -2.368  -1.083  1.00  0.00           H  
HETATM   60  H   UNL     1       2.972  -0.144  -3.865  1.00  0.00           H  
HETATM   61  H   UNL     1       7.123  -2.548  -2.749  1.00  0.00           H  
HETATM   62  H   UNL     1       4.777  -0.324  -5.531  1.00  0.00           H  
HETATM   63  H   UNL     1       6.854  -1.522  -4.971  1.00  0.00           H  
HETATM   64  H   UNL     1       0.580   0.433  -1.029  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.243   0.033   1.745  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.629   2.692   0.298  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.446   2.238   1.813  1.00  0.00           H  
HETATM   68  H   UNL     1       0.756   1.948   2.914  1.00  0.00           H  
HETATM   69  H   UNL     1       1.574   2.402   1.400  1.00  0.00           H  
HETATM   70  H   UNL     1       0.459   4.616   1.463  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.358   4.162   2.977  1.00  0.00           H  
HETATM   72  H   UNL     1       2.662   4.326   2.564  1.00  0.00           H  
HETATM   73  H   UNL     1       1.666   5.520   3.431  1.00  0.00           H  
HETATM   74  H   UNL     1       1.845   3.872   4.079  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.893   0.602   1.702  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.806  -0.796  -0.756  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.823  -0.898   2.114  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.715  -1.582   0.734  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.649  -2.939   0.178  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.840  -3.333   2.960  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.556  -3.905   1.435  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.018  -1.500   1.368  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.774  -1.928   2.922  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.301  -5.720   2.565  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.545  -5.292   1.011  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.479  -3.888   0.972  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.763  -3.315   2.498  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.670  -4.281   3.755  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.839  -5.529   2.795  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.957   0.739   1.715  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.028   1.568  -1.685  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.734   0.549  -1.652  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.927   3.365  -1.765  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.488   2.767  -3.383  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.005   2.234  -2.619  1.00  0.00           H  
CONECT    1    2    6                                                 
CONECT    2    1    3   47   48                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6   51   52                                       
CONECT    6    1    5   53   54                                       
CONECT    7    4    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9   10   55    7                                            
CONECT   10    9   11   13   56                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   57   58                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   17   59                                       
CONECT   16   14   18   18   60                                       
CONECT   17   15   19   19   61                                       
CONECT   18   16   16   19   62                                       
CONECT   19   17   17   18   63                                       
CONECT   20   21   64   11                                            
CONECT   21   20   22   24   65                                       
CONECT   22   21   23   23   28                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   66   67                                       
CONECT   25   24   26   68   69                                       
CONECT   26   25   27   70   71                                       
CONECT   27   26   72   73   74                                       
CONECT   28   29   75   22                                            
CONECT   29   28   30   37   76                                       
CONECT   30   29   31   77   78                                       
CONECT   31   30   32   33   79                                       
CONECT   32   31   34   80   81                                       
CONECT   33   31   35   82   83                                       
CONECT   34   32   36   84   85                                       
CONECT   35   33   36   86   87                                       
CONECT   36   34   35   88   89                                       
CONECT   37   29   38   39   40                                       
CONECT   38   37   90                                                 
CONECT   39   37   91                                                 
CONECT   40   37   41   42   43                                       
CONECT   41   40                                                      
CONECT   42   40                                                      
CONECT   43   40   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   46   92   43                                            
CONECT   46   45   93   94   95                                       
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
