COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.146   5.496  -1.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.402   3.892   0.741  1.00  0.00           C  
HETATM    3  C   UNL     1      11.248   1.933   0.719  1.00  0.00           C  
HETATM    4  C   UNL     1       8.594   2.846   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.054  -5.134  -0.888  1.00  0.00           C  
HETATM    6  C   UNL     1       0.943  -2.096  -0.560  1.00  0.00           C  
HETATM    7  C   UNL     1       1.199  -1.495  -1.786  1.00  0.00           C  
HETATM    8  C   UNL     1       3.340  -0.775  -0.983  1.00  0.00           C  
HETATM    9  C   UNL     1       1.890  -2.034   0.453  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.376   0.598   0.533  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.482   3.053   0.105  1.00  0.00           C  
HETATM   12  C   UNL     1       9.966   1.276   1.237  1.00  0.00           C  
HETATM   13  C   UNL     1      10.983   3.417   0.452  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.761   1.330   1.245  1.00  0.00           C  
HETATM   15  C   UNL     1       7.694   0.692   0.641  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.091  -0.394   1.546  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.209   0.310   0.200  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.148  -0.907   0.413  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.231   4.667  -1.657  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.729   5.106   0.176  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.898   3.451  -1.101  1.00  0.00           C  
HETATM   22  C   UNL     1       5.445  -0.102  -0.104  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.950   0.691   0.890  1.00  0.00           C  
HETATM   24  C   UNL     1       9.835   3.550  -0.552  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.708  -3.805  -1.273  1.00  0.00           C  
HETATM   26  C   UNL     1       2.394  -0.836  -1.995  1.00  0.00           C  
HETATM   27  C   UNL     1       3.085  -1.375   0.242  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.129   1.754   0.704  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.768   0.649  -0.808  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.103   0.556  -1.137  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.058   0.412  -0.140  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.674   0.361   1.194  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.341   0.452   1.533  1.00  0.00           C  
HETATM   34  C   UNL     1       6.700   0.666  -0.522  1.00  0.00           C  
HETATM   35  F   UNL     1      -0.327  -5.418   0.454  1.00  0.00           F  
HETATM   36  F   UNL     1      -0.566  -6.156  -1.694  1.00  0.00           F  
HETATM   37  F   UNL     1       1.330  -5.043  -1.073  1.00  0.00           F  
HETATM   38  N   UNL     1      -0.270  -2.759  -0.345  1.00  0.00           N  
HETATM   39  N   UNL     1       8.899   1.429   0.240  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.165   0.430   2.331  1.00  0.00           O  
HETATM   41  O   UNL     1       4.517  -0.126  -1.190  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.468   6.696  -1.572  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.278  -2.003   1.968  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.074  -3.478   1.121  1.00  0.00           O  
HETATM   45  O   UNL     1      -9.373   0.321  -0.469  1.00  0.00           O  
HETATM   46  S   UNL     1      -1.211  -2.362   0.958  1.00  0.00           S  
HETATM   47  H   UNL     1      -4.856   3.589   1.673  1.00  0.00           H  
HETATM   48  H   UNL     1      12.036   1.832   1.465  1.00  0.00           H  
HETATM   49  H   UNL     1      11.559   1.446  -0.206  1.00  0.00           H  
HETATM   50  H   UNL     1       8.299   3.316   0.940  1.00  0.00           H  
HETATM   51  H   UNL     1       7.779   2.926  -0.717  1.00  0.00           H  
HETATM   52  H   UNL     1       0.463  -1.543  -2.575  1.00  0.00           H  
HETATM   53  H   UNL     1       1.692  -2.501   1.407  1.00  0.00           H  
HETATM   54  H   UNL     1      10.148   0.215   1.414  1.00  0.00           H  
HETATM   55  H   UNL     1       9.664   1.753   2.169  1.00  0.00           H  
HETATM   56  H   UNL     1      10.710   3.911   1.384  1.00  0.00           H  
HETATM   57  H   UNL     1      11.881   3.879   0.042  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.081   2.136   1.521  1.00  0.00           H  
HETATM   59  H   UNL     1       7.235   1.184   1.500  1.00  0.00           H  
HETATM   60  H   UNL     1       7.965  -0.329   0.910  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.637  -1.158   2.099  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.302   0.701  -0.813  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.175   0.047   0.422  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.712  -1.127  -0.494  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.780   4.975  -2.589  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.441   5.754   0.666  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.186   2.806  -1.595  1.00  0.00           H  
HETATM   68  H   UNL     1       5.716  -1.123   0.165  1.00  0.00           H  
HETATM   69  H   UNL     1       4.987   0.390   0.754  1.00  0.00           H  
HETATM   70  H   UNL     1      10.123   3.089  -1.497  1.00  0.00           H  
HETATM   71  H   UNL     1       9.613   4.605  -0.714  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.415  -3.536  -2.287  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.792  -3.906  -1.221  1.00  0.00           H  
HETATM   74  H   UNL     1       2.593  -0.368  -2.948  1.00  0.00           H  
HETATM   75  H   UNL     1       3.822  -1.326   1.030  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.026   0.762  -1.584  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.407   0.595  -2.173  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.420   0.249   1.967  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.043   0.412   2.571  1.00  0.00           H  
HETATM   80  H   UNL     1       6.429   1.687  -0.790  1.00  0.00           H  
HETATM   81  H   UNL     1       7.158   0.174  -1.380  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.219   6.662  -2.180  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.679  -0.584  -0.620  1.00  0.00           H  
CONECT    1   20   42   19   19                                       
CONECT    2   20   20   11   47                                       
CONECT    3   12   13   48   49                                       
CONECT    4   39   24   50   51                                       
CONECT    5   37   36   25   35                                       
CONECT    6   38    7    7    9                                       
CONECT    7    6    6   26   52                                       
CONECT    8   26   26   27   41                                       
CONECT    9    6   27   27   53                                       
CONECT   10   23   29   29   33                                       
CONECT   11    2   28   21   21                                       
CONECT   12   39    3   54   55                                       
CONECT   13    3   24   56   57                                       
CONECT   14   17   40   28   58                                       
CONECT   15   34   39   59   60                                       
CONECT   16   40   18   23   61                                       
CONECT   17   14   18   62   63                                       
CONECT   18   17   16   46   64                                       
CONECT   19    1    1   21   65                                       
CONECT   20    2    2    1   66                                       
CONECT   21   11   11   19   67                                       
CONECT   22   41   34   68   69                                       
CONECT   23   28   28   16   10                                       
CONECT   24    4   13   70   71                                       
CONECT   25    5   38   72   73                                       
CONECT   26    7    8    8   74                                       
CONECT   27    9    9    8   75                                       
CONECT   28   14   11   23   23                                       
CONECT   29   10   10   30   76                                       
CONECT   30   29   31   31   77                                       
CONECT   31   30   30   32   45                                       
CONECT   32   33   33   31   78                                       
CONECT   33   10   32   32   79                                       
CONECT   34   22   15   80   81                                       
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38   46   25    6                                            
CONECT   39   15   12    4                                            
CONECT   40   14   16                                                 
CONECT   41    8   22                                                 
CONECT   42    1   82                                                 
CONECT   43   46   46                                                 
CONECT   44   46   46                                                 
CONECT   45   31   83                                                 
CONECT   46   44   44   18   43                                       
CONECT   46   43   38                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   42                                                      
CONECT   83   45                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
