COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.472  -1.604  -1.395  1.00  0.00           C  
HETATM    2  C   UNL     1       3.311  -1.718  -2.913  1.00  0.00           C  
HETATM    3  C   UNL     1       4.548  -0.598  -1.079  1.00  0.00           C  
HETATM    4  C   UNL     1       4.302   0.753  -1.243  1.00  0.00           C  
HETATM    5  C   UNL     1       5.288   1.676  -0.948  1.00  0.00           C  
HETATM    6  C   UNL     1       6.520   1.248  -0.488  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.476   1.028   4.380  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.555   0.415   3.091  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.381   0.089   2.490  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.177   0.351   3.124  1.00  0.00           C  
HETATM   11  C   UNL     1       1.013   0.015   2.509  1.00  0.00           C  
HETATM   12  C   UNL     1       1.019  -0.585   1.257  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.171  -0.847   0.615  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.211  -1.486  -0.749  1.00  0.00           C  
HETATM   15  C   UNL     1       1.134  -2.145  -1.057  1.00  0.00           C  
HETATM   16  N   UNL     1       2.202  -1.166  -0.800  1.00  0.00           N  
HETATM   17  C   UNL     1       7.594   2.254  -0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       7.987   2.127   1.308  1.00  0.00           C  
HETATM   19  C   UNL     1       8.819   1.991  -1.044  1.00  0.00           C  
HETATM   20  C   UNL     1       6.765  -0.102  -0.322  1.00  0.00           C  
HETATM   21  C   UNL     1       5.780  -1.025  -0.618  1.00  0.00           C  
HETATM   22  C   UNL     1       2.348  -0.939   0.641  1.00  0.00           C  
HETATM   23  C   UNL     1       2.887  -2.211   1.300  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.380  -0.518   1.232  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.664  -0.802   0.546  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.043  -2.119   0.294  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.240  -2.384  -0.346  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.065  -1.340  -0.739  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.242  -1.604  -1.368  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.690  -0.021  -0.489  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.523   1.031  -0.886  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.128   2.417  -0.623  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.207   3.364  -1.153  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.856   4.803  -0.769  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.284   3.247  -2.677  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.494   0.247   0.157  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.606  -3.661  -0.590  1.00  0.00           F  
HETATM   38  H   UNL     1       3.749  -2.574  -0.985  1.00  0.00           H  
HETATM   39  H   UNL     1       2.625  -2.533  -3.145  1.00  0.00           H  
HETATM   40  H   UNL     1       2.912  -0.784  -3.307  1.00  0.00           H  
HETATM   41  H   UNL     1       4.281  -1.919  -3.366  1.00  0.00           H  
HETATM   42  H   UNL     1       3.341   1.087  -1.603  1.00  0.00           H  
HETATM   43  H   UNL     1       5.097   2.731  -1.077  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.970   0.355   5.072  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.916   1.960   4.305  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.481   1.236   4.745  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.169   0.818   4.097  1.00  0.00           H  
HETATM   48  H   UNL     1       1.948   0.222   3.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.997  -2.241  -0.771  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.420  -0.724  -1.500  1.00  0.00           H  
HETATM   51  H   UNL     1       1.272  -3.014  -0.415  1.00  0.00           H  
HETATM   52  H   UNL     1       1.159  -2.453  -2.102  1.00  0.00           H  
HETATM   53  H   UNL     1       7.220   3.260  -0.356  1.00  0.00           H  
HETATM   54  H   UNL     1       8.764   2.855   1.541  1.00  0.00           H  
HETATM   55  H   UNL     1       7.115   2.315   1.934  1.00  0.00           H  
HETATM   56  H   UNL     1       8.362   1.122   1.499  1.00  0.00           H  
HETATM   57  H   UNL     1       8.539   2.082  -2.094  1.00  0.00           H  
HETATM   58  H   UNL     1       9.596   2.719  -0.811  1.00  0.00           H  
HETATM   59  H   UNL     1       9.194   0.986  -0.853  1.00  0.00           H  
HETATM   60  H   UNL     1       7.727  -0.436   0.038  1.00  0.00           H  
HETATM   61  H   UNL     1       5.970  -2.080  -0.486  1.00  0.00           H  
HETATM   62  H   UNL     1       3.050  -0.123   0.808  1.00  0.00           H  
HETATM   63  H   UNL     1       3.851  -2.466   0.861  1.00  0.00           H  
HETATM   64  H   UNL     1       3.008  -2.042   2.370  1.00  0.00           H  
HETATM   65  H   UNL     1       2.186  -3.029   1.138  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.402  -2.933   0.598  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.993  -1.711  -0.769  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.362   0.842  -1.335  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.011   2.564   0.451  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.183   2.627  -1.123  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.170   3.097  -0.719  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.892   5.070  -1.203  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.624   5.477  -1.147  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.801   4.886   0.316  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.534   2.222  -2.950  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.052   3.921  -3.055  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.320   3.514  -3.111  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.204   1.269   0.356  1.00  0.00           H  
CONECT    1    3    2   16   38                                       
CONECT    2    1   39   40   41                                       
CONECT    3    4    4   21    1                                       
CONECT    4    5    3    3   42                                       
CONECT    5    6    6    4   43                                       
CONECT    6   17    5    5   20                                       
CONECT    7    8   44   45   46                                       
CONECT    8    9    7                                                 
CONECT    9   10   10   24    8                                       
CONECT   10   11    9    9   47                                       
CONECT   11   12   12   10   48                                       
CONECT   12   22   11   11   13                                       
CONECT   13   12   14   24   24                                       
CONECT   14   15   13   49   50                                       
CONECT   15   16   14   51   52                                       
CONECT   16    1   22   15                                            
CONECT   17   19   18    6   53                                       
CONECT   18   17   54   55   56                                       
CONECT   19   17   57   58   59                                       
CONECT   20    6   21   21   60                                       
CONECT   21   20   20    3   61                                       
CONECT   22   23   16   12   62                                       
CONECT   23   22   63   64   65                                       
CONECT   24   13   13    9   25                                       
CONECT   25   24   26   26   36                                       
CONECT   26   25   25   27   66                                       
CONECT   27   26   37   28   28                                       
CONECT   28   27   27   30   29                                       
CONECT   29   28   67                                                 
CONECT   30   36   36   28   31                                       
CONECT   31   30   32   68                                            
CONECT   32   31   33   69   70                                       
CONECT   33   34   32   35   71                                       
CONECT   34   33   72   73   74                                       
CONECT   35   33   75   76   77                                       
CONECT   36   25   30   30   78                                       
CONECT   37   27                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
