COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.439   3.044  -1.079  1.00  0.00           O  
HETATM    2  C   UNL     1       0.878  -0.887   1.448  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.256   4.693   0.381  1.00  0.00           O  
HETATM    4  C   UNL     1       1.537  -0.111   0.488  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.787   1.243  -0.291  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.569   0.317   0.692  1.00  0.00           N  
HETATM    7  C   UNL     1       0.813   0.743  -0.333  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.572   0.820  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.432   2.579  -1.982  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.623   1.589  -0.862  1.00  0.00           C  
HETATM   11 CL   UNL     1      -5.653  -5.276  -1.127  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -5.066  -3.835  -0.357  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.998  -3.905   0.520  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.528  -2.757   1.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.661  -2.616  -0.625  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.194  -1.469  -0.011  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.124  -1.539   0.861  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.611  -0.287   1.526  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.224   0.035   0.780  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.136   1.794  -0.675  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.434   3.041   0.159  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.783   3.592  -0.225  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.438   2.672   1.644  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.359   4.098  -0.101  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.477  -0.815   1.592  1.00  0.00           C  
HETATM   26  C   UNL     1       3.010  -0.202   0.346  1.00  0.00           C  
HETATM   27  C   UNL     1       3.738  -1.060   1.170  1.00  0.00           C  
HETATM   28  C   UNL     1       5.107  -1.146   1.040  1.00  0.00           C  
HETATM   29  C   UNL     1       5.766  -0.374   0.084  1.00  0.00           C  
HETATM   30  C   UNL     1       5.038   0.485  -0.742  1.00  0.00           C  
HETATM   31  F   UNL     1       5.676   1.233  -1.668  1.00  0.00           F  
HETATM   32  C   UNL     1       3.667   0.566  -0.614  1.00  0.00           C  
HETATM   33  C   UNL     1       7.240  -0.466  -0.055  1.00  0.00           C  
HETATM   34  C   UNL     1       8.040   0.636   0.240  1.00  0.00           C  
HETATM   35  C   UNL     1       7.409   1.927   0.696  1.00  0.00           C  
HETATM   36  C   UNL     1       9.411   0.544   0.114  1.00  0.00           C  
HETATM   37  C   UNL     1       9.991  -0.640  -0.303  1.00  0.00           C  
HETATM   38  C   UNL     1       9.202  -1.738  -0.598  1.00  0.00           C  
HETATM   39  C   UNL     1       7.830  -1.657  -0.475  1.00  0.00           C  
HETATM   40  H   UNL     1       1.447  -1.553   2.080  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.126   5.009   0.101  1.00  0.00           H  
HETATM   42  H   UNL     1       1.319   1.343  -1.075  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.499   2.062  -2.939  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.208   3.343  -1.927  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.453   3.048  -1.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.533  -4.857   0.730  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.694  -2.812   1.814  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.492  -2.560  -1.313  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.659  -0.517  -0.220  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.195  -0.538   2.501  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.431   0.420   1.651  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.133   2.057  -1.733  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.903   1.041  -0.490  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.463   2.274   1.922  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.651   3.561   2.239  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.205   1.919   1.829  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.356   4.361  -1.158  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.571   4.986   0.494  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.383   3.700   0.177  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.973  -1.422   2.335  1.00  0.00           H  
HETATM   61  H   UNL     1       3.228  -1.658   1.911  1.00  0.00           H  
HETATM   62  H   UNL     1       5.669  -1.811   1.679  1.00  0.00           H  
HETATM   63  H   UNL     1       3.103   1.230  -1.252  1.00  0.00           H  
HETATM   64  H   UNL     1       7.326   1.927   1.783  1.00  0.00           H  
HETATM   65  H   UNL     1       8.029   2.766   0.379  1.00  0.00           H  
HETATM   66  H   UNL     1       6.417   2.022   0.256  1.00  0.00           H  
HETATM   67  H   UNL     1      10.032   1.397   0.342  1.00  0.00           H  
HETATM   68  H   UNL     1      11.065  -0.708  -0.400  1.00  0.00           H  
HETATM   69  H   UNL     1       9.660  -2.659  -0.924  1.00  0.00           H  
HETATM   70  H   UNL     1       7.215  -2.515  -0.701  1.00  0.00           H  
CONECT    1   22   22                                                 
CONECT    2    4   25   25   40                                       
CONECT    3   22   41                                                 
CONECT    4   26    7    7    2                                       
CONECT    5   10   10    6   20                                       
CONECT    6   19    5   18                                            
CONECT    7    4    4    8   42                                       
CONECT    8    7   10   19   19                                       
CONECT    9   10   43   44   45                                       
CONECT   10    9    8    5    5                                       
CONECT   11   12                                                      
CONECT   12   13   13   15   11                                       
CONECT   13   14   12   12   46                                       
CONECT   14   17   17   13   47                                       
CONECT   15   16   16   12   48                                       
CONECT   16   17   15   15   49                                       
CONECT   17   18   14   14   16                                       
CONECT   18    6   17   50   51                                       
CONECT   19    8    8   25    6                                       
CONECT   20    5   21   52   53                                       
CONECT   21   24   20   23   22                                       
CONECT   22   21    1    1    3                                       
CONECT   23   21   54   55   56                                       
CONECT   24   21   57   58   59                                       
CONECT   25    2    2   19   60                                       
CONECT   26   27   27   32    4                                       
CONECT   27   28   26   26   61                                       
CONECT   28   29   29   27   62                                       
CONECT   29   33   28   28   30                                       
CONECT   30   29   31   32   32                                       
CONECT   31   30                                                      
CONECT   32   30   30   26   63                                       
CONECT   33   34   34   39   29                                       
CONECT   34   36   35   33   33                                       
CONECT   35   34   64   65   66                                       
CONECT   36   37   37   34   67                                       
CONECT   37   36   36   38   68                                       
CONECT   38   37   39   39   69                                       
CONECT   39   38   38   33   70                                       
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   32                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
