COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.602   4.510  -0.736  1.00  0.00           C  
HETATM    2  C   UNL     1       3.270   3.105  -1.244  1.00  0.00           C  
HETATM    3  C   UNL     1       1.776   2.909  -1.237  1.00  0.00           C  
HETATM    4  C   UNL     1       1.031   3.238  -2.354  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.341   3.061  -2.355  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.974   2.553  -1.238  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.228   2.219  -0.109  1.00  0.00           C  
HETATM    8  C   UNL     1       1.154   2.395  -0.116  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.903   1.673   1.094  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.126   2.490   2.203  1.00  0.00           C  
HETATM   11  F   UNL     1      -0.727   3.780   2.185  1.00  0.00           F  
HETATM   12  C   UNL     1      -1.755   1.974   3.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.164   0.653   3.339  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.944  -0.160   2.242  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.322   0.345   1.118  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.090  -0.542  -0.078  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.964   0.264  -1.251  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.272  -1.499  -0.241  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.556  -0.692  -0.445  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.739  -1.649  -0.608  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.969  -0.877  -0.803  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.145  -1.513  -0.970  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.186  -2.728  -0.958  1.00  0.00           O  
HETATM   24  O   UNL     1      -8.275  -0.803  -1.150  1.00  0.00           O  
HETATM   25  C   UNL     1      -9.505  -1.555  -1.322  1.00  0.00           C  
HETATM   26  C   UNL     1       0.194  -1.349   0.126  1.00  0.00           C  
HETATM   27  C   UNL     1       0.036  -2.262   1.344  1.00  0.00           C  
HETATM   28  C   UNL     1       1.307  -3.093   1.530  1.00  0.00           C  
HETATM   29  C   UNL     1       2.493  -2.156   1.779  1.00  0.00           C  
HETATM   30  N   UNL     1       2.564  -1.181   0.682  1.00  0.00           N  
HETATM   31  C   UNL     1       1.368  -0.392   0.359  1.00  0.00           C  
HETATM   32  C   UNL     1       3.706  -1.013  -0.014  1.00  0.00           C  
HETATM   33  O   UNL     1       3.752  -0.205  -0.918  1.00  0.00           O  
HETATM   34  C   UNL     1       4.925  -1.830   0.329  1.00  0.00           C  
HETATM   35  C   UNL     1       6.074  -1.448  -0.606  1.00  0.00           C  
HETATM   36  C   UNL     1       7.312  -2.277  -0.258  1.00  0.00           C  
HETATM   37  N   UNL     1       8.415  -1.910  -1.155  1.00  0.00           N  
HETATM   38  C   UNL     1       9.623  -2.688  -0.850  1.00  0.00           C  
HETATM   39  H   UNL     1       3.225   4.628   0.280  1.00  0.00           H  
HETATM   40  H   UNL     1       4.683   4.652  -0.741  1.00  0.00           H  
HETATM   41  H   UNL     1       3.136   5.251  -1.385  1.00  0.00           H  
HETATM   42  H   UNL     1       3.647   2.987  -2.260  1.00  0.00           H  
HETATM   43  H   UNL     1       3.737   2.364  -0.595  1.00  0.00           H  
HETATM   44  H   UNL     1       1.523   3.636  -3.230  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.917   3.320  -3.230  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.045   2.415  -1.240  1.00  0.00           H  
HETATM   47  H   UNL     1       1.737   2.134   0.754  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.929   2.604   4.181  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.655   0.254   4.214  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.265  -1.191   2.263  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.813  -0.241  -2.062  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.105  -2.140  -1.106  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.368  -2.114   0.654  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.724  -0.051   0.420  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.461  -0.077  -1.340  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.571  -2.290  -1.473  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.835  -2.264   0.287  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.936   0.093  -0.813  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.419  -2.196  -2.200  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.682  -2.170  -0.440  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.337  -0.864  -1.457  1.00  0.00           H  
HETATM   62  H   UNL     1       0.389  -1.954  -0.760  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.134  -1.655   2.233  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.814  -2.927   1.190  1.00  0.00           H  
HETATM   65  H   UNL     1       1.185  -3.760   2.383  1.00  0.00           H  
HETATM   66  H   UNL     1       1.492  -3.682   0.631  1.00  0.00           H  
HETATM   67  H   UNL     1       2.352  -1.632   2.725  1.00  0.00           H  
HETATM   68  H   UNL     1       3.416  -2.735   1.814  1.00  0.00           H  
HETATM   69  H   UNL     1       1.548   0.193  -0.543  1.00  0.00           H  
HETATM   70  H   UNL     1       1.135   0.276   1.189  1.00  0.00           H  
HETATM   71  H   UNL     1       5.215  -1.633   1.361  1.00  0.00           H  
HETATM   72  H   UNL     1       4.697  -2.889   0.210  1.00  0.00           H  
HETATM   73  H   UNL     1       5.784  -1.644  -1.638  1.00  0.00           H  
HETATM   74  H   UNL     1       6.302  -0.388  -0.488  1.00  0.00           H  
HETATM   75  H   UNL     1       7.602  -2.081   0.774  1.00  0.00           H  
HETATM   76  H   UNL     1       7.084  -3.336  -0.376  1.00  0.00           H  
HETATM   77  H   UNL     1       8.603  -0.920  -1.112  1.00  0.00           H  
HETATM   78  H   UNL     1      10.425  -2.397  -1.529  1.00  0.00           H  
HETATM   79  H   UNL     1       9.930  -2.495   0.178  1.00  0.00           H  
HETATM   80  H   UNL     1       9.412  -3.750  -0.972  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   44                                       
CONECT    5    4    6    6   45                                       
CONECT    6    5    5    7   46                                       
CONECT    7    8    8    6    9                                       
CONECT    8    3    7    7   47                                       
CONECT    9    7   15   15   10                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10                                                      
CONECT   12   10   10   13   48                                       
CONECT   13   14   14   12   49                                       
CONECT   14   15   13   13   50                                       
CONECT   15   16    9    9   14                                       
CONECT   16   26   18   17   15                                       
CONECT   17   16   51                                                 
CONECT   18   16   19   52   53                                       
CONECT   19   18   20   54   55                                       
CONECT   20   19   21   56   57                                       
CONECT   21   20   22   58                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25                                                 
CONECT   25   24   59   60   61                                       
CONECT   26   31   27   16   62                                       
CONECT   27   28   26   63   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   30   28   67   68                                       
CONECT   30   32   29   31                                            
CONECT   31   30   26   69   70                                       
CONECT   32   34   33   33   30                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   71   72                                       
CONECT   35   36   34   73   74                                       
CONECT   36   37   35   75   76                                       
CONECT   37   38   36   77                                            
CONECT   38   37   78   79   80                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
