COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.146  -2.685  -1.928  1.00  0.00           C  
HETATM    2  C   UNL     1      12.710  -0.242   2.392  1.00  0.00           C  
HETATM    3  O   UNL     1       9.526  -1.661   0.747  1.00  0.00           O  
HETATM    4  O   UNL     1      13.919   0.465   0.423  1.00  0.00           O  
HETATM    5  F   UNL     1     -12.455   0.677  -2.719  1.00  0.00           F  
HETATM    6  F   UNL     1     -11.111  -0.181   1.743  1.00  0.00           F  
HETATM    7  C   UNL     1     -11.800   0.249  -0.483  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.415   1.071  -1.416  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.293   0.856   0.974  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.050   0.882  -1.504  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.927   0.667   0.888  1.00  0.00           C  
HETATM   12  C   UNL     1       5.990   1.886  -0.671  1.00  0.00           C  
HETATM   13  C   UNL     1       5.774  -0.205   0.499  1.00  0.00           C  
HETATM   14  C   UNL     1       7.354   1.696  -0.757  1.00  0.00           C  
HETATM   15  C   UNL     1       7.137  -0.400   0.401  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.797   0.096   0.458  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.517  -3.439  -1.211  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.149   0.655  -2.173  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.322  -3.295   0.583  1.00  0.00           C  
HETATM   20  C   UNL     1      10.216   1.220  -0.899  1.00  0.00           C  
HETATM   21  C   UNL     1      13.110  -1.851  -1.083  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.097   1.548   2.525  1.00  0.00           C  
HETATM   23  C   UNL     1       1.672   0.292   0.891  1.00  0.00           C  
HETATM   24  C   UNL     1       1.725   1.607  -1.140  1.00  0.00           C  
HETATM   25  C   UNL     1       3.169   0.007   0.746  1.00  0.00           C  
HETATM   26  C   UNL     1       3.222   1.322  -1.286  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.561   1.123   2.230  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.960   1.220   1.216  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.420  -1.333   1.706  1.00  0.00           C  
HETATM   30  N   UNL     1      -7.498  -3.961  -0.529  1.00  0.00           N  
HETATM   31  N   UNL     1      -9.006  -2.430  -0.539  1.00  0.00           N  
HETATM   32  N   UNL     1      11.404   0.719  -0.795  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.384   1.245  -0.092  1.00  0.00           O  
HETATM   34  O   UNL     1      -7.103   0.310   0.502  1.00  0.00           O  
HETATM   35  C   UNL     1     -11.476   0.528  -1.799  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.148   0.514  -1.230  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.039   1.059  -0.177  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.302   0.679  -0.352  1.00  0.00           C  
HETATM   39  C   UNL     1       5.195   0.935  -0.042  1.00  0.00           C  
HETATM   40  C   UNL     1       7.932   0.553  -0.222  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.470   0.229   0.083  1.00  0.00           C  
HETATM   42  C   UNL     1      10.001  -0.701   0.166  1.00  0.00           C  
HETATM   43  C   UNL     1      13.410  -0.683   1.105  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.470   1.446   1.112  1.00  0.00           C  
HETATM   45  C   UNL     1      12.410  -1.410   0.204  1.00  0.00           C  
HETATM   46  N   UNL     1       1.081   0.487  -0.440  1.00  0.00           N  
HETATM   47  N   UNL     1       3.812   1.128   0.046  1.00  0.00           N  
HETATM   48  N   UNL     1      -8.247  -2.320   0.637  1.00  0.00           N  
HETATM   49  N   UNL     1       9.319   0.360  -0.310  1.00  0.00           N  
HETATM   50  N   UNL     1      11.304  -0.508  -0.126  1.00  0.00           N  
HETATM   51  C   UNL     1      -8.378   0.075   1.110  1.00  0.00           C  
HETATM   52  H   UNL     1      12.644  -2.999  -2.845  1.00  0.00           H  
HETATM   53  H   UNL     1      11.836  -3.565  -1.364  1.00  0.00           H  
HETATM   54  H   UNL     1      11.270  -2.086  -2.178  1.00  0.00           H  
HETATM   55  H   UNL     1      11.887   0.429   2.147  1.00  0.00           H  
HETATM   56  H   UNL     1      12.322  -1.118   2.913  1.00  0.00           H  
HETATM   57  H   UNL     1      13.422   0.276   3.034  1.00  0.00           H  
HETATM   58  H   UNL     1      13.240   1.107   0.173  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.835   0.146  -0.191  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.997   1.233  -2.312  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.779   0.847   1.938  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.564   0.891  -2.469  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.346   0.510   1.785  1.00  0.00           H  
HETATM   64  H   UNL     1       5.541   2.775  -1.088  1.00  0.00           H  
HETATM   65  H   UNL     1       5.155  -0.947   0.984  1.00  0.00           H  
HETATM   66  H   UNL     1       7.973   2.437  -1.242  1.00  0.00           H  
HETATM   67  H   UNL     1       7.585  -1.294   0.810  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.879  -3.791  -2.166  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.896   0.877  -3.200  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.566  -3.493   1.328  1.00  0.00           H  
HETATM   71  H   UNL     1       9.969   2.161  -1.367  1.00  0.00           H  
HETATM   72  H   UNL     1      13.986  -2.449  -0.834  1.00  0.00           H  
HETATM   73  H   UNL     1      13.420  -0.971  -1.647  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.052   2.570   2.901  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.618   0.856   3.218  1.00  0.00           H  
HETATM   76  H   UNL     1       1.188  -0.550   1.385  1.00  0.00           H  
HETATM   77  H   UNL     1       1.530   1.194   1.488  1.00  0.00           H  
HETATM   78  H   UNL     1       1.584   2.524  -0.567  1.00  0.00           H  
HETATM   79  H   UNL     1       1.279   1.724  -2.128  1.00  0.00           H  
HETATM   80  H   UNL     1       3.615  -0.109   1.734  1.00  0.00           H  
HETATM   81  H   UNL     1       3.310  -0.909   0.173  1.00  0.00           H  
HETATM   82  H   UNL     1       3.364   0.421  -1.882  1.00  0.00           H  
HETATM   83  H   UNL     1       3.706   2.165  -1.779  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.020   0.674   3.110  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.147   1.971   1.875  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.768   0.252   1.679  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.516   2.008   1.824  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.382  -1.492   2.195  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.619  -1.443   2.436  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.113   0.612  -1.523  1.00  0.00           H  
HETATM   91  H   UNL     1      14.233  -1.354   1.351  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.678   2.350   0.539  1.00  0.00           H  
HETATM   93  H   UNL     1      12.022  -2.286   0.725  1.00  0.00           H  
CONECT    1   21   52   53   54                                       
CONECT    2   43   55   56   57                                       
CONECT    3   42   42                                                 
CONECT    4   43   58                                                 
CONECT    5   35                                                      
CONECT    6   16                                                      
CONECT    7   35   35   16   59                                       
CONECT    8   37   37   10   60                                       
CONECT    9   37   11   11   61                                       
CONECT   10    8   38   38   62                                       
CONECT   11    9    9   38   63                                       
CONECT   12   39   39   14   64                                       
CONECT   13   39   15   15   65                                       
CONECT   14   12   40   40   66                                       
CONECT   15   13   13   40   67                                       
CONECT   16    6    7   41   41                                       
CONECT   17   30   31   31   68                                       
CONECT   18   36   36   35   69                                       
CONECT   19   30   30   48   70                                       
CONECT   20   49   32   32   71                                       
CONECT   21    1   45   72   73                                       
CONECT   22   27   44   74   75                                       
CONECT   23   46   25   76   77                                       
CONECT   24   46   26   78   79                                       
CONECT   25   23   47   80   81                                       
CONECT   26   24   47   82   83                                       
CONECT   27   22   51   84   85                                       
CONECT   28   44   33   86   87                                       
CONECT   29   51   48   88   89                                       
CONECT   30   17   19   19                                            
CONECT   31   17   17   48                                            
CONECT   32   20   20   50                                            
CONECT   33   28   37                                                 
CONECT   34   51   44                                                 
CONECT   35    5    7    7   18                                       
CONECT   36   18   18   41   90                                       
CONECT   37    8    8    9   33                                       
CONECT   38   10   10   11   46                                       
CONECT   39   12   12   13   47                                       
CONECT   40   14   14   15   49                                       
CONECT   41   16   16   36   51                                       
CONECT   42    3    3   49   50                                       
CONECT   43    2    4   45   91                                       
CONECT   44   22   28   34   92                                       
CONECT   45   21   43   50   93                                       
CONECT   46   23   24   38                                            
CONECT   47   25   26   39                                            
CONECT   48   19   29   31                                            
CONECT   49   20   40   42                                            
CONECT   50   32   42   45                                            
CONECT   51   27   29   34   41                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    4                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   29                                                      
CONECT   89   29                                                      
CONECT   90   36                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
