COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.439   1.877   0.471  1.00  0.00           C  
HETATM    2  O   UNL     1       5.091   2.543   1.425  1.00  0.00           O  
HETATM    3  O   UNL     1       6.745   1.617   0.272  1.00  0.00           O  
HETATM    4  C   UNL     1       7.681   2.165   1.238  1.00  0.00           C  
HETATM    5  C   UNL     1       9.085   1.773   0.855  1.00  0.00           C  
HETATM    6  C   UNL     1       9.827   2.589   0.021  1.00  0.00           C  
HETATM    7  C   UNL     1      11.115   2.230  -0.330  1.00  0.00           C  
HETATM    8  C   UNL     1      11.661   1.055   0.153  1.00  0.00           C  
HETATM    9  C   UNL     1      10.919   0.241   0.988  1.00  0.00           C  
HETATM   10  C   UNL     1       9.633   0.602   1.343  1.00  0.00           C  
HETATM   11  N   UNL     1       4.518   1.394  -0.386  1.00  0.00           N  
HETATM   12  C   UNL     1       3.096   1.672  -0.166  1.00  0.00           C  
HETATM   13  C   UNL     1       2.268   0.594  -0.817  1.00  0.00           C  
HETATM   14  O   UNL     1       2.758  -0.118  -1.667  1.00  0.00           O  
HETATM   15  C   UNL     1       2.741   3.028  -0.779  1.00  0.00           C  
HETATM   16  C   UNL     1       3.510   4.133  -0.052  1.00  0.00           C  
HETATM   17  C   UNL     1       3.121   3.033  -2.261  1.00  0.00           C  
HETATM   18  N   UNL     1       0.982   0.421  -0.452  1.00  0.00           N  
HETATM   19  C   UNL     1       0.205  -0.688  -1.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.262  -0.344  -0.971  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.677   0.447  -0.151  1.00  0.00           O  
HETATM   22  C   UNL     1       0.455  -1.953  -0.189  1.00  0.00           C  
HETATM   23  C   UNL     1       1.925  -2.359  -0.312  1.00  0.00           C  
HETATM   24  C   UNL     1       2.175  -3.624   0.511  1.00  0.00           C  
HETATM   25  N   UNL     1       3.583  -4.013   0.393  1.00  0.00           N  
HETATM   26  C   UNL     1       4.043  -5.122   1.048  1.00  0.00           C  
HETATM   27  N   UNL     1       3.212  -5.849   1.793  1.00  0.00           N  
HETATM   28  N   UNL     1       5.323  -5.476   0.941  1.00  0.00           N1+
HETATM   29  N   UNL     1      -2.113  -0.916  -1.847  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.537  -0.585  -1.998  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.260  -0.827  -0.699  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.652  -1.237   0.267  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.108  -1.507  -3.096  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.109  -2.694  -3.106  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.767  -1.972  -2.816  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.584  -0.588  -0.609  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.287  -0.824   0.654  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.689  -2.273   0.742  1.00  0.00           C  
HETATM   39  O   UNL     1      -6.667  -2.967  -0.246  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.537   0.057   0.714  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.122   1.529   0.750  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.371   2.410   0.810  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.974   3.820   0.845  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.929   4.798   0.900  1.00  0.00           C  
HETATM   45  N   UNL     1     -10.219   4.469   0.923  1.00  0.00           N  
HETATM   46  N   UNL     1      -8.567   6.080   0.932  1.00  0.00           N1+
HETATM   47  C   UNL     1      -7.120  -2.857   2.063  1.00  0.00           C  
HETATM   48  F   UNL     1      -7.442  -4.207   1.894  1.00  0.00           F  
HETATM   49  H   UNL     1       7.597   3.251   1.250  1.00  0.00           H  
HETATM   50  H   UNL     1       7.452   1.772   2.229  1.00  0.00           H  
HETATM   51  H   UNL     1       9.400   3.506  -0.357  1.00  0.00           H  
HETATM   52  H   UNL     1      11.694   2.866  -0.983  1.00  0.00           H  
HETATM   53  H   UNL     1      12.667   0.774  -0.122  1.00  0.00           H  
HETATM   54  H   UNL     1      11.346  -0.677   1.366  1.00  0.00           H  
HETATM   55  H   UNL     1       9.055  -0.033   1.998  1.00  0.00           H  
HETATM   56  H   UNL     1       4.796   0.862  -1.148  1.00  0.00           H  
HETATM   57  H   UNL     1       2.891   1.692   0.904  1.00  0.00           H  
HETATM   58  H   UNL     1       1.670   3.203  -0.678  1.00  0.00           H  
HETATM   59  H   UNL     1       4.575   4.030  -0.257  1.00  0.00           H  
HETATM   60  H   UNL     1       3.165   5.106  -0.402  1.00  0.00           H  
HETATM   61  H   UNL     1       3.336   4.051   1.021  1.00  0.00           H  
HETATM   62  H   UNL     1       2.574   2.245  -2.779  1.00  0.00           H  
HETATM   63  H   UNL     1       2.868   3.999  -2.698  1.00  0.00           H  
HETATM   64  H   UNL     1       4.192   2.858  -2.362  1.00  0.00           H  
HETATM   65  H   UNL     1       0.571   1.030   0.181  1.00  0.00           H  
HETATM   66  H   UNL     1       0.509  -0.860  -2.045  1.00  0.00           H  
HETATM   67  H   UNL     1       0.218  -1.759   0.857  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.177  -2.760  -0.561  1.00  0.00           H  
HETATM   69  H   UNL     1       2.162  -2.553  -1.358  1.00  0.00           H  
HETATM   70  H   UNL     1       2.557  -1.553   0.060  1.00  0.00           H  
HETATM   71  H   UNL     1       1.938  -3.430   1.557  1.00  0.00           H  
HETATM   72  H   UNL     1       1.543  -4.431   0.139  1.00  0.00           H  
HETATM   73  H   UNL     1       4.188  -3.484  -0.149  1.00  0.00           H  
HETATM   74  H   UNL     1       2.280  -5.592   1.871  1.00  0.00           H  
HETATM   75  H   UNL     1       3.538  -6.636   2.257  1.00  0.00           H  
HETATM   76  H   UNL     1       5.929  -4.946   0.399  1.00  0.00           H  
HETATM   77  H   UNL     1       5.649  -6.262   1.405  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.646   0.459  -2.294  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.109  -1.847  -2.832  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.113  -1.000  -4.061  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.348  -3.412  -2.322  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.087  -3.178  -4.083  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.365  -1.533  -3.728  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.050  -2.667  -2.379  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.071  -0.260  -1.382  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.629  -0.578   1.487  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.153  -0.125  -0.167  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.107  -0.182   1.612  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.506   1.712   1.631  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.552   1.768  -0.148  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.987   2.228  -0.071  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.942   2.171   1.708  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.034   4.059   0.828  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.482   3.536   0.900  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.896   5.163   0.962  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.627   6.319   0.915  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.244   6.774   0.971  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.306  -2.765   2.783  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.993  -2.318   2.431  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   49   50                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   51                                       
CONECT    7    6    8    8   52                                       
CONECT    8    7    7    9   53                                       
CONECT    9    8   10   10   54                                       
CONECT   10    5    9    9   55                                       
CONECT   11   12   56    1                                            
CONECT   12   11   13   15   57                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   58                                       
CONECT   16   15   59   60   61                                       
CONECT   17   15   62   63   64                                       
CONECT   18   19   65   13                                            
CONECT   19   18   20   22   66                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   23   25   71   72                                       
CONECT   25   24   26   73                                            
CONECT   26   25   27   28   28                                       
CONECT   27   26   74   75                                            
CONECT   28   26   26   76   77                                       
CONECT   29   30   35   20                                            
CONECT   30   29   31   33   78                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   79   80                                       
CONECT   34   33   35   81   82                                       
CONECT   35   29   34   83   84                                       
CONECT   36   37   85   31                                            
CONECT   37   36   38   40   86                                       
CONECT   38   37   39   39   47                                       
CONECT   39   38   38                                                 
CONECT   40   37   41   87   88                                       
CONECT   41   40   42   89   90                                       
CONECT   42   41   43   91   92                                       
CONECT   43   42   44   93                                            
CONECT   44   43   45   46   46                                       
CONECT   45   44   94   95                                            
CONECT   46   44   44   96   97                                       
CONECT   47   48   98   99   38                                       
CONECT   48   47                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
