COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.901   1.649  -1.902  1.00  0.00           C  
HETATM    2  C   UNL     1       9.474   2.191  -0.702  1.00  0.00           C  
HETATM    3  C   UNL     1       7.600   0.690  -0.676  1.00  0.00           C  
HETATM    4  C   UNL     1       1.788   4.717   2.164  1.00  0.00           C  
HETATM    5  C   UNL     1       5.320   1.047   0.262  1.00  0.00           C  
HETATM    6  C   UNL     1       6.372   0.179  -0.021  1.00  0.00           C  
HETATM    7  C   UNL     1       2.066   3.298   1.741  1.00  0.00           C  
HETATM    8  C   UNL     1       5.122  -1.645   0.922  1.00  0.00           C  
HETATM    9  C   UNL     1       1.067   2.270   1.471  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.327   2.224   1.501  1.00  0.00           C  
HETATM   11  C   UNL     1       1.785   1.108   1.109  1.00  0.00           C  
HETATM   12  C   UNL     1       1.066  -0.041   0.795  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.317   0.001   0.850  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.348  -1.833   0.336  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.666  -0.858   0.087  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.252   0.294  -0.298  1.00  0.00           N  
HETATM   17  C   UNL     1      -8.710   0.370  -0.415  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.162   1.823  -0.243  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.679   1.905  -0.427  1.00  0.00           C  
HETATM   20  N   UNL     1     -11.038   1.417  -1.765  1.00  0.00           N  
HETATM   21  C   UNL     1     -12.470   1.610  -2.029  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.657   0.010  -1.937  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.139  -0.129  -1.798  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.198  -0.934   0.205  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.413   0.186  -0.080  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.042   0.113   0.030  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.436  -1.073   0.427  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.215  -2.196   0.714  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.620  -3.355   1.102  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.478  -4.464   1.380  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.589  -2.127   0.609  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.048  -1.142   0.539  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.961   1.112   1.196  1.00  0.00           N  
HETATM   34  N   UNL     1       3.242   2.772   1.544  1.00  0.00           N  
HETATM   35  N   UNL     1       3.113   1.432   1.162  1.00  0.00           N  
HETATM   36  C   UNL     1       4.174   0.563   0.875  1.00  0.00           C  
HETATM   37  C   UNL     1       4.077  -0.783   1.204  1.00  0.00           C  
HETATM   38 CL   UNL     1       4.994  -3.326   1.335  1.00  0.00          Cl  
HETATM   39  C   UNL     1       6.267  -1.171   0.312  1.00  0.00           C  
HETATM   40  C   UNL     1       8.033   0.139  -1.895  1.00  0.00           C  
HETATM   41  C   UNL     1       7.267  -0.951  -2.532  1.00  0.00           C  
HETATM   42  O   UNL     1       6.194  -1.290  -2.071  1.00  0.00           O  
HETATM   43  N   UNL     1       7.757  -1.572  -3.623  1.00  0.00           N  
HETATM   44  C   UNL     1       8.331   1.718  -0.089  1.00  0.00           C  
HETATM   45  C   UNL     1       9.190   0.629  -2.500  1.00  0.00           C  
HETATM   46  H   UNL     1      10.794   2.029  -2.375  1.00  0.00           H  
HETATM   47  H   UNL     1      10.038   2.989  -0.243  1.00  0.00           H  
HETATM   48  H   UNL     1       1.752   4.771   3.252  1.00  0.00           H  
HETATM   49  H   UNL     1       2.581   5.368   1.794  1.00  0.00           H  
HETATM   50  H   UNL     1       0.832   5.038   1.752  1.00  0.00           H  
HETATM   51  H   UNL     1       5.398   2.094   0.010  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.889   3.104   1.776  1.00  0.00           H  
HETATM   53  H   UNL     1       1.577  -0.950   0.512  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.708   1.072  -0.496  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.171  -0.248   0.355  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.898   2.171   0.756  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.671   2.448  -0.989  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.171   1.291   0.327  1.00  0.00           H  
HETATM   59  H   UNL     1     -11.002   2.941  -0.320  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.711   2.672  -1.968  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.709   1.241  -3.026  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.054   1.062  -1.289  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.148  -0.595  -1.175  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.963  -0.331  -2.926  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.647   0.465  -2.568  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.858  -1.176  -1.910  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.882   1.109  -0.389  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.437   0.980  -0.192  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.161  -4.201   2.187  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.050  -4.713   0.486  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.877  -5.323   1.678  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.193  -2.993   0.835  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.592  -1.986   0.399  1.00  0.00           H  
HETATM   74  H   UNL     1       3.183  -1.158   1.681  1.00  0.00           H  
HETATM   75  H   UNL     1       7.082  -1.846   0.093  1.00  0.00           H  
HETATM   76  H   UNL     1       8.613  -1.302  -3.991  1.00  0.00           H  
HETATM   77  H   UNL     1       7.254  -2.288  -4.041  1.00  0.00           H  
HETATM   78  H   UNL     1       8.004   2.146   0.848  1.00  0.00           H  
HETATM   79  H   UNL     1       9.529   0.211  -3.437  1.00  0.00           H  
CONECT    1    2    2   45   46                                       
CONECT    2    1    1   44   47                                       
CONECT    3    6   40   44   44                                       
CONECT    4    7   48   49   50                                       
CONECT    5    6    6   36   51                                       
CONECT    6    3    5    5   39                                       
CONECT    7    4    9   34   34                                       
CONECT    8   37   38   39   39                                       
CONECT    9    7   10   10   11                                       
CONECT   10    9    9   33   52                                       
CONECT   11    9   12   12   35                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   32   33   33                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   16   24                                       
CONECT   16   15   17   54                                            
CONECT   17   16   18   23   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   18   20   58   59                                       
CONECT   20   19   21   22                                            
CONECT   21   20   60   61   62                                       
CONECT   22   20   23   63   64                                       
CONECT   23   17   22   65   66                                       
CONECT   24   15   25   25   31                                       
CONECT   25   24   24   26   67                                       
CONECT   26   25   27   27   68                                       
CONECT   27   26   26   28   32                                       
CONECT   28   27   29   31   31                                       
CONECT   29   28   30                                                 
CONECT   30   29   69   70   71                                       
CONECT   31   24   28   28   72                                       
CONECT   32   13   27   73                                            
CONECT   33   10   13   13                                            
CONECT   34    7    7   35                                            
CONECT   35   11   34   36                                            
CONECT   36    5   35   37   37                                       
CONECT   37    8   36   36   74                                       
CONECT   38    8                                                      
CONECT   39    6    8    8   75                                       
CONECT   40    3   41   45   45                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   76   77                                            
CONECT   44    2    3    3   78                                       
CONECT   45    1   40   40   79                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
