COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.359   3.417  -0.751  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.200   5.454  -0.243  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.210   3.606   0.743  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.318  -0.803  -0.589  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.501  -2.315   2.649  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.929  -2.409  -1.041  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.672  -1.806   1.584  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.542  -1.451   1.322  1.00  0.00           C  
HETATM    9  C   UNL     1       0.504  -1.562   2.394  1.00  0.00           C  
HETATM   10  C   UNL     1       1.709  -0.689   2.037  1.00  0.00           C  
HETATM   11  C   UNL     1       2.110  -0.985   0.587  1.00  0.00           C  
HETATM   12  C   UNL     1       1.002  -0.483  -0.339  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.294  -0.989   0.096  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.394  -0.985  -0.872  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.498  -0.089  -0.374  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.618   0.070  -1.106  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.644   1.024  -0.678  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.336   2.402  -1.266  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.078   4.817  -1.343  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.563   4.756   1.001  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.617   2.834   1.585  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.015   0.554  -1.169  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.007   0.472  -2.596  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.477  -0.948   0.741  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.772  -2.267   1.304  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.017  -2.680   2.570  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.419  -1.766  -1.320  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.378   0.490   0.685  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.831  -3.301  -1.622  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.312  -4.753  -1.643  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.507  -2.850  -3.047  1.00  0.00           C  
HETATM   32  N   UNL     1       3.364  -0.296   0.273  1.00  0.00           N  
HETATM   33  C   UNL     1       4.544  -0.870   0.578  1.00  0.00           C  
HETATM   34  O   UNL     1       5.696  -0.236   0.289  1.00  0.00           O  
HETATM   35  C   UNL     1       6.929  -0.915   0.647  1.00  0.00           C  
HETATM   36  C   UNL     1       8.105  -0.061   0.250  1.00  0.00           C  
HETATM   37  C   UNL     1       8.623   0.859   1.143  1.00  0.00           C  
HETATM   38  C   UNL     1       9.705   1.644   0.780  1.00  0.00           C  
HETATM   39  F   UNL     1      10.211   2.542   1.653  1.00  0.00           F  
HETATM   40  C   UNL     1      10.267   1.508  -0.478  1.00  0.00           C  
HETATM   41  C   UNL     1       9.747   0.587  -1.371  1.00  0.00           C  
HETATM   42  F   UNL     1      10.295   0.453  -2.599  1.00  0.00           F  
HETATM   43  C   UNL     1       8.669  -0.201  -1.004  1.00  0.00           C  
HETATM   44  O   UNL     1       4.568  -1.961   1.114  1.00  0.00           O  
HETATM   45  H   UNL     1      -6.371   3.095  -0.996  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.144   5.302  -0.468  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.417   6.519  -0.158  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.761  -1.364   3.114  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.211  -3.126   2.808  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.239  -2.798  -0.071  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.784  -2.397  -1.718  1.00  0.00           H  
HETATM   52  H   UNL     1       0.085  -1.231   3.344  1.00  0.00           H  
HETATM   53  H   UNL     1       0.822  -2.601   2.483  1.00  0.00           H  
HETATM   54  H   UNL     1       1.443   0.363   2.137  1.00  0.00           H  
HETATM   55  H   UNL     1       2.541  -0.923   2.703  1.00  0.00           H  
HETATM   56  H   UNL     1       2.238  -2.060   0.455  1.00  0.00           H  
HETATM   57  H   UNL     1       0.989   0.607  -0.327  1.00  0.00           H  
HETATM   58  H   UNL     1       1.196  -0.830  -1.354  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.031  -0.617  -1.832  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.746  -0.448  -1.917  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.650   1.087   0.411  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.390   2.353  -2.354  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.335   2.711  -0.965  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.531   4.741  -2.283  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.004   5.377  -1.476  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.361   5.083   1.892  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.778   1.264  -0.850  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.351  -0.143  -2.951  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.397  -0.178   1.326  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.003  -3.048   0.579  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.301  -1.970   2.983  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.752  -3.732   2.677  1.00  0.00           H  
HETATM   73  H   UNL     1       0.064  -3.224  -1.004  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.500  -5.401  -1.974  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.625  -5.047  -0.641  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.154  -4.847  -2.329  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.165  -1.816  -3.032  1.00  0.00           H  
HETATM   78  H   UNL     1       0.275  -3.486  -3.461  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.403  -2.927  -3.665  1.00  0.00           H  
HETATM   80  H   UNL     1       3.344   0.575  -0.155  1.00  0.00           H  
HETATM   81  H   UNL     1       6.951  -1.086   1.723  1.00  0.00           H  
HETATM   82  H   UNL     1       6.982  -1.871   0.125  1.00  0.00           H  
HETATM   83  H   UNL     1       8.184   0.965   2.124  1.00  0.00           H  
HETATM   84  H   UNL     1      11.107   2.123  -0.764  1.00  0.00           H  
HETATM   85  H   UNL     1       8.264  -0.920  -1.701  1.00  0.00           H  
CONECT    1   19    3   18   45                                       
CONECT    2   20   19   46   47                                       
CONECT    3   20   21   21    1                                       
CONECT    4   27   27   24   22                                       
CONECT    5   25   26   48   49                                       
CONECT    6   14   29   50   51                                       
CONECT    7    8    8                                                 
CONECT    8    9    7    7   13                                       
CONECT    9   10    8   52   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   32   56                                       
CONECT   12   13   11   57   58                                       
CONECT   13    8   14   12                                            
CONECT   14   15   13    6   59                                       
CONECT   15   16   28   28   14                                       
CONECT   16   17   15   60                                            
CONECT   17   18   22   16   61                                       
CONECT   18    1   17   62   63                                       
CONECT   19    2    1   64   65                                       
CONECT   20    2    3   66                                            
CONECT   21    3    3                                                 
CONECT   22    4   17   23   67                                       
CONECT   23   22   68                                                 
CONECT   24   25    4   69                                            
CONECT   25    5   26   24   70                                       
CONECT   26    5   25   71   72                                       
CONECT   27    4    4                                                 
CONECT   28   15   15                                                 
CONECT   29    6   30   31   73                                       
CONECT   30   29   74   75   76                                       
CONECT   31   29   77   78   79                                       
CONECT   32   11   33   80                                            
CONECT   33   44   44   32   34                                       
CONECT   34   33   35                                                 
CONECT   35   36   34   81   82                                       
CONECT   36   43   43   37   35                                       
CONECT   37   38   38   36   83                                       
CONECT   38   40   39   37   37                                       
CONECT   39   38                                                      
CONECT   40   41   41   38   84                                       
CONECT   41   42   40   40   43                                       
CONECT   42   41                                                      
CONECT   43   41   36   36   85                                       
CONECT   44   33   33                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   43                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
