COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0     -10.894  -0.393  -0.807  1.00  0.00           C  
HETATM    2  C   UNK A   0      -8.678   0.223  -1.106  1.00  0.00           C  
HETATM    3  C   UNK A   0      -8.561  -2.476   1.248  1.00  0.00           C  
HETATM    4  C   UNK A   0      -7.238  -2.214   1.161  1.00  0.00           C  
HETATM    5  C   UNK A   0      -8.264  -0.779  -0.192  1.00  0.00           C  
HETATM    6  C   UNK A   0      -9.233  -1.580   0.400  1.00  0.00           C  
HETATM    7  C   UNK A   0      -0.041   4.114   0.258  1.00  0.00           C  
HETATM    8  C   UNK A   0      -0.122   3.127   1.242  1.00  0.00           C  
HETATM    9  C   UNK A   0      -2.426   4.001  -0.038  1.00  0.00           C  
HETATM   10  C   UNK A   0      -1.348   2.590   1.577  1.00  0.00           C  
HETATM   11  C   UNK A   0       1.269   4.688  -0.110  1.00  0.00           C  
HETATM   12  N   UNK A   1       2.389   4.261   0.505  1.00  0.00           N  
HETATM   13  C   UNK A   1       3.689   4.831   0.141  1.00  0.00           C  
HETATM   14  C   UNK A   1       4.796   3.826   0.465  1.00  0.00           C  
HETATM   15  O   UNK A   1       6.550   1.857   0.751  1.00  0.00           O  
HETATM   16  C   UNK A   1       3.918   6.099   0.922  1.00  0.00           C  
HETATM   17  C   UNK A   0      -5.744  -0.610  -0.071  1.00  0.00           C  
HETATM   18  C   UNK A   0      -5.465   0.610   0.809  1.00  0.00           C  
HETATM   19  C   UNK A   0      -4.110   1.212   0.431  1.00  0.00           C  
HETATM   20  C   UNK A   0      -3.831   2.432   1.311  1.00  0.00           C  
HETATM   21  C   UNK A   0      -2.497   3.025   0.939  1.00  0.00           C  
HETATM   22  C   UNK A   1       6.845  -0.539  -0.449  1.00  0.00           C  
HETATM   23  C   UNK A   0      -1.204   4.549  -0.384  1.00  0.00           C  
HETATM   24  C   UNK A   1       4.635   2.587  -0.419  1.00  0.00           C  
HETATM   25  C   UNK A   1       5.726   1.597  -0.099  1.00  0.00           C  
HETATM   26  C   UNK A   1       6.377  -1.949  -0.816  1.00  0.00           C  
HETATM   27  C   UNK A   1       5.198  -2.343   0.075  1.00  0.00           C  
HETATM   28  C   UNK A   1       4.738  -3.732  -0.286  1.00  0.00           C  
HETATM   29  C   UNK A   1       8.081  -0.197  -1.240  1.00  0.00           C  
HETATM   30  C   UNK A   1       3.257  -5.642   0.021  1.00  0.00           C  
HETATM   31  C   UNK A   1       1.786  -5.810   0.409  1.00  0.00           C  
HETATM   32  C   UNK A   1       0.926  -4.865  -0.433  1.00  0.00           C  
HETATM   33  C   UNK A   1      -0.522  -5.030  -0.051  1.00  0.00           C  
HETATM   34  C   UNK A   1       4.090  -6.657   0.760  1.00  0.00           C  
HETATM   35  F   UNK A   0      -1.136   5.504  -1.337  1.00  0.00           F  
HETATM   36  N   UNK A   0     -10.560  -1.371   0.077  1.00  0.00           N  
HETATM   37  N   UNK A   0      -9.984   0.371  -1.373  1.00  0.00           N  
HETATM   38  N   UNK A   0      -7.041  -1.186   0.291  1.00  0.00           N  
HETATM   39  N   UNK A   0     -12.213  -0.201  -1.122  1.00  0.00           N  
HETATM   40  N   UNK A   1       5.785   0.424  -0.759  1.00  0.00           N  
HETATM   41  N   UNK A   1       3.704  -4.292   0.372  1.00  0.00           N  
HETATM   42  O   UNK A   0      -7.853   0.945  -1.644  1.00  0.00           O  
HETATM   43  O   UNK A   0       1.337   5.547  -0.967  1.00  0.00           O  
HETATM   44  O   UNK A   1       5.050   6.798   0.749  1.00  0.00           O  
HETATM   45  O   UNK A   1       3.081   6.487   1.702  1.00  0.00           O  
HETATM   46  O   UNK A   1       5.298  -4.345  -1.170  1.00  0.00           O  
HETATM   47  O   UNK A   1       9.186  -0.948  -1.116  1.00  0.00           O  
HETATM   48  O   UNK A   1       8.077   0.753  -1.987  1.00  0.00           O  
HETATM   49  O   UNK A   1      -0.834  -5.821   0.808  1.00  0.00           O  
HETATM   50  O   UNK A   1      -1.466  -4.298  -0.663  1.00  0.00           O  
HETATM   51  O   UNK A   1       3.858  -7.968   0.592  1.00  0.00           O  
HETATM   52  O   UNK A   1       4.968  -6.290   1.505  1.00  0.00           O  
HETATM   53  H   UNK A   0      -9.020  -3.237   1.860  1.00  0.00           H  
HETATM   54  H   UNK A   0      -6.461  -2.737   1.698  1.00  0.00           H  
HETATM   55  H   UNK A   0       0.772   2.785   1.741  1.00  0.00           H  
HETATM   56  H   UNK A   0      -3.326   4.335  -0.532  1.00  0.00           H  
HETATM   57  H   UNK A   0      -1.411   1.827   2.339  1.00  0.00           H  
HETATM   58  H   UNK A   1       2.336   3.575   1.190  1.00  0.00           H  
HETATM   59  H   UNK A   1       3.701   5.054  -0.926  1.00  0.00           H  
HETATM   60  H   UNK A   1       5.768   4.283   0.277  1.00  0.00           H  
HETATM   61  H   UNK A   1       4.727   3.536   1.513  1.00  0.00           H  
HETATM   62  H   UNK A   0      -5.760  -0.307  -1.118  1.00  0.00           H  
HETATM   63  H   UNK A   0      -4.961  -1.354   0.080  1.00  0.00           H  
HETATM   64  H   UNK A   0      -6.248   1.354   0.658  1.00  0.00           H  
HETATM   65  H   UNK A   0      -5.449   0.307   1.856  1.00  0.00           H  
HETATM   66  H   UNK A   0      -3.327   0.469   0.582  1.00  0.00           H  
HETATM   67  H   UNK A   0      -4.126   1.515  -0.616  1.00  0.00           H  
HETATM   68  H   UNK A   0      -4.614   3.176   1.160  1.00  0.00           H  
HETATM   69  H   UNK A   0      -3.815   2.129   2.358  1.00  0.00           H  
HETATM   70  H   UNK A   1       7.072  -0.497   0.616  1.00  0.00           H  
HETATM   71  H   UNK A   1       3.663   2.131  -0.231  1.00  0.00           H  
HETATM   72  H   UNK A   1       4.703   2.878  -1.467  1.00  0.00           H  
HETATM   73  H   UNK A   1       6.065  -1.967  -1.860  1.00  0.00           H  
HETATM   74  H   UNK A   1       7.196  -2.653  -0.669  1.00  0.00           H  
HETATM   75  H   UNK A   1       5.510  -2.325   1.120  1.00  0.00           H  
HETATM   76  H   UNK A   1       4.379  -1.639  -0.072  1.00  0.00           H  
HETATM   77  H   UNK A   1       3.368  -5.794  -1.053  1.00  0.00           H  
HETATM   78  H   UNK A   1       1.478  -6.839   0.230  1.00  0.00           H  
HETATM   79  H   UNK A   1       1.660  -5.571   1.465  1.00  0.00           H  
HETATM   80  H   UNK A   1       1.234  -3.836  -0.254  1.00  0.00           H  
HETATM   81  H   UNK A   1       1.052  -5.104  -1.489  1.00  0.00           H  
HETATM   82  H   UNK A   0     -11.251  -1.919   0.480  1.00  0.00           H  
HETATM   83  H   UNK A   0     -12.895  -0.759  -0.715  1.00  0.00           H  
HETATM   84  H   UNK A   0     -12.466   0.492  -1.751  1.00  0.00           H  
HETATM   85  H   UNK A   1       5.125   0.216  -1.439  1.00  0.00           H  
HETATM   86  H   UNK A   1       3.257  -3.802   1.079  1.00  0.00           H  
HETATM   87  H   UNK A   1       5.152   7.605   1.272  1.00  0.00           H  
HETATM   88  H   UNK A   1       9.954  -0.690  -1.643  1.00  0.00           H  
HETATM   89  H   UNK A   1      -2.381  -4.439  -0.384  1.00  0.00           H  
HETATM   90  H   UNK A   1       4.418  -8.580   1.088  1.00  0.00           H  
CONECT    1   37   37   39   36                                       
CONECT    2   37   42   42    5                                       
CONECT    3    6    4    4   53                                       
CONECT    4   38    3    3   54                                       
CONECT    5    2    6    6   38                                       
CONECT    6    5    5   36    3                                       
CONECT    7   11    8    8   23                                       
CONECT    8    7    7   10   55                                       
CONECT    9   23   23   21   56                                       
CONECT   10    8   21   21   57                                       
CONECT   11   43   43   12    7                                       
CONECT   12   11   13   58                                            
CONECT   13   16   12   14   59                                       
CONECT   14   13   24   60   61                                       
CONECT   15   25   25                                                 
CONECT   16   45   45   13   44                                       
CONECT   17   38   18   62   63                                       
CONECT   18   19   17   64   65                                       
CONECT   19   20   18   66   67                                       
CONECT   20   21   19   68   69                                       
CONECT   21   10   10    9   20                                       
CONECT   22   29   40   26   70                                       
CONECT   23    7   35    9    9                                       
CONECT   24   25   14   71   72                                       
CONECT   25   15   15   40   24                                       
CONECT   26   22   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28   27   41   46   46                                       
CONECT   29   48   48   47   22                                       
CONECT   30   31   34   41   77                                       
CONECT   31   32   30   78   79                                       
CONECT   32   33   31   80   81                                       
CONECT   33   32   49   49   50                                       
CONECT   34   52   52   30   51                                       
CONECT   35   23                                                      
CONECT   36    1    6   82                                            
CONECT   37    2    1    1                                            
CONECT   38    5   17    4                                            
CONECT   39    1   83   84                                            
CONECT   40   22   25   85                                            
CONECT   41   30   28   86                                            
CONECT   42    2    2                                                 
CONECT   43   11   11                                                 
CONECT   44   16   87                                                 
CONECT   45   16   16                                                 
CONECT   46   28   28                                                 
CONECT   47   29   88                                                 
CONECT   48   29   29                                                 
CONECT   49   33   33                                                 
CONECT   50   33   89                                                 
CONECT   51   34   90                                                 
CONECT   52   34   34                                                 
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   36                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   44                                                      
CONECT   88   47                                                      
CONECT   89   50                                                      
CONECT   90   51                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
