COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.320   1.854  -1.285  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.090   2.100  -1.861  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.980   1.381  -1.466  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.095   0.398  -0.480  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.333   0.144   0.105  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.450   0.874  -0.298  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.768   0.613   0.318  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.542   1.641   0.717  1.00  0.00           N  
HETATM    9  O   UNL     1      -6.154  -0.531   0.465  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.788   1.383   1.443  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.504   1.347   2.946  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.806   1.077   3.704  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.137   3.019   0.424  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.873   3.513  -0.823  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.352   4.899  -1.207  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.905  -0.373  -0.060  1.00  0.00           C  
HETATM   17  N   UNL     1       0.292  -0.127  -0.627  1.00  0.00           N  
HETATM   18  O   UNL     1      -1.007  -1.228   0.798  1.00  0.00           O  
HETATM   19  C   UNL     1       1.471  -0.890  -0.210  1.00  0.00           C  
HETATM   20  C   UNL     1       2.733  -0.071  -0.486  1.00  0.00           C  
HETATM   21  C   UNL     1       1.533  -2.202  -0.995  1.00  0.00           C  
HETATM   22  O   UNL     1       2.882   0.115  -1.895  1.00  0.00           O  
HETATM   23  C   UNL     1       3.954  -0.813   0.062  1.00  0.00           C  
HETATM   24  N   UNL     1       5.149   0.026  -0.095  1.00  0.00           N  
HETATM   25  C   UNL     1       6.343  -0.656   0.421  1.00  0.00           C  
HETATM   26  C   UNL     1       7.546   0.233   0.243  1.00  0.00           C  
HETATM   27  C   UNL     1       0.351  -3.063  -0.629  1.00  0.00           C  
HETATM   28  C   UNL     1       0.444  -3.951   0.425  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.642  -4.742   0.762  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.820  -4.643   0.042  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.912  -3.752  -1.013  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.827  -2.958  -1.345  1.00  0.00           C  
HETATM   33  C   UNL     1       8.289   0.166  -0.922  1.00  0.00           C  
HETATM   34  C   UNL     1       9.393   0.980  -1.088  1.00  0.00           C  
HETATM   35  C   UNL     1       9.758   1.864  -0.090  1.00  0.00           C  
HETATM   36  C   UNL     1       9.015   1.933   1.079  1.00  0.00           C  
HETATM   37  C   UNL     1       7.904   1.119   1.241  1.00  0.00           C  
HETATM   38  O   UNL     1       9.372   2.801   2.062  1.00  0.00           O  
HETATM   39  C   UNL     1      10.524   3.613   1.823  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.958   3.159  -2.925  1.00  0.00           C  
HETATM   41  F   UNL     1      -0.550  -5.612   1.792  1.00  0.00           F  
HETATM   42  F   UNL     1      -3.061  -3.654  -1.717  1.00  0.00           F  
HETATM   43  H   UNL     1      -5.184   2.424  -1.595  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.020   1.578  -1.921  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.428  -0.615   0.867  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.505   2.174   1.227  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.199   0.424   1.128  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.787   0.556   3.162  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.093   2.306   3.261  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.523   1.869   3.488  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.217   0.118   3.389  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.604   1.052   4.775  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.387   3.658   1.271  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.062   3.052   0.249  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.701   2.819  -1.645  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.942   3.571  -0.615  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.525   5.593  -0.384  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.284   4.841  -1.415  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.877   5.251  -2.095  1.00  0.00           H  
HETATM   60  H   UNL     1       0.374   0.555  -1.311  1.00  0.00           H  
HETATM   61  H   UNL     1       1.405  -1.108   0.856  1.00  0.00           H  
HETATM   62  H   UNL     1       2.650   0.900   0.001  1.00  0.00           H  
HETATM   63  H   UNL     1       1.510  -1.988  -2.063  1.00  0.00           H  
HETATM   64  H   UNL     1       2.455  -2.729  -0.750  1.00  0.00           H  
HETATM   65  H   UNL     1       2.962  -0.710  -2.394  1.00  0.00           H  
HETATM   66  H   UNL     1       3.801  -1.033   1.119  1.00  0.00           H  
HETATM   67  H   UNL     1       4.089  -1.745  -0.487  1.00  0.00           H  
HETATM   68  H   UNL     1       5.276   0.297  -1.059  1.00  0.00           H  
HETATM   69  H   UNL     1       6.207  -0.875   1.480  1.00  0.00           H  
HETATM   70  H   UNL     1       6.495  -1.587  -0.125  1.00  0.00           H  
HETATM   71  H   UNL     1       1.363  -4.029   0.986  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.667  -5.260   0.304  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.899  -2.260  -2.166  1.00  0.00           H  
HETATM   74  H   UNL     1       8.005  -0.525  -1.702  1.00  0.00           H  
HETATM   75  H   UNL     1       9.971   0.926  -1.999  1.00  0.00           H  
HETATM   76  H   UNL     1      10.622   2.500  -0.221  1.00  0.00           H  
HETATM   77  H   UNL     1       7.321   1.174   2.148  1.00  0.00           H  
HETATM   78  H   UNL     1      11.393   2.973   1.668  1.00  0.00           H  
HETATM   79  H   UNL     1      10.360   4.225   0.937  1.00  0.00           H  
HETATM   80  H   UNL     1      10.698   4.259   2.684  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.728   4.117  -2.459  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.155   2.887  -3.611  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.895   3.239  -3.476  1.00  0.00           H  
CONECT    1    6    2    2   43                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   44                                       
CONECT    4    3    3    5   16                                       
CONECT    5    4    6    6   45                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   10   13                                            
CONECT    9    7    7                                                 
CONECT   10    8   11   46   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12   11   50   51   52                                       
CONECT   13    8   14   53   54                                       
CONECT   14   13   15   55   56                                       
CONECT   15   14   57   58   59                                       
CONECT   16    4   17   18   18                                       
CONECT   17   16   19   60                                            
CONECT   18   16   16                                                 
CONECT   19   17   21   20   61                                       
CONECT   20   19   22   23   62                                       
CONECT   21   19   27   63   64                                       
CONECT   22   20   65                                                 
CONECT   23   20   24   66   67                                       
CONECT   24   23   25   68                                            
CONECT   25   24   26   69   70                                       
CONECT   26   25   37   37   33                                       
CONECT   27   21   32   32   28                                       
CONECT   28   27   29   29   71                                       
CONECT   29   28   28   30   41                                       
CONECT   30   29   31   31   72                                       
CONECT   31   30   30   42   32                                       
CONECT   32   27   27   31   73                                       
CONECT   33   26   34   34   74                                       
CONECT   34   33   33   35   75                                       
CONECT   35   34   36   36   76                                       
CONECT   36   35   35   38   37                                       
CONECT   37   26   26   36   77                                       
CONECT   38   36   39                                                 
CONECT   39   38   78   79   80                                       
CONECT   40    2   81   82   83                                       
CONECT   41   29                                                      
CONECT   42   31                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   28                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
