COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -5.143  -1.337   2.040  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -5.945  -0.955   0.548  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.227  -0.928  -0.639  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.301  -0.682   0.541  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.895  -1.201  -0.636  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.872  -0.621  -1.830  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.940  -0.378  -0.646  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.513  -2.566  -0.816  1.00  0.00           C  
HETATM    9 CL   UNL     1      -4.978  -0.587  -3.318  1.00  0.00          Cl  
HETATM   10  C   UNL     1      -7.226  -0.344  -1.830  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.418  -0.083  -0.650  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.987  -2.677  -0.784  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.511  -2.318   0.514  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.167  -2.364   0.712  1.00  0.00           C  
HETATM   15  C   UNL     1       0.365  -2.029   1.949  1.00  0.00           C  
HETATM   16  C   UNL     1       0.675  -2.751  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1       1.731  -2.076   2.148  1.00  0.00           C  
HETATM   18  C   UNL     1       2.040  -2.796  -0.116  1.00  0.00           C  
HETATM   19  C   UNL     1       2.568  -2.456   1.116  1.00  0.00           C  
HETATM   20  C   UNL     1       4.058  -2.505   1.336  1.00  0.00           C  
HETATM   21  C   UNL     1       4.751  -1.545   0.364  1.00  0.00           C  
HETATM   22  C   UNL     1       4.566  -3.928   1.084  1.00  0.00           C  
HETATM   23  C   UNL     1       4.301  -0.134   0.645  1.00  0.00           C  
HETATM   24  C   UNL     1       6.267  -1.645   0.550  1.00  0.00           C  
HETATM   25  C   UNL     1       6.087  -3.958   1.248  1.00  0.00           C  
HETATM   26  O   UNL     1       3.505   0.083   1.534  1.00  0.00           O  
HETATM   27  N   UNL     1       4.783   0.886  -0.092  1.00  0.00           N  
HETATM   28  N   UNL     1       6.702  -3.024   0.297  1.00  0.00           N  
HETATM   29  C   UNL     1       5.804   0.634  -1.112  1.00  0.00           C  
HETATM   30  C   UNL     1       4.287   2.247   0.127  1.00  0.00           C  
HETATM   31  C   UNL     1       7.202   1.206  -0.869  1.00  0.00           C  
HETATM   32  C   UNL     1       6.295   1.830  -1.931  1.00  0.00           C  
HETATM   33  C   UNL     1       2.868   2.349  -0.370  1.00  0.00           C  
HETATM   34  C   UNL     1       2.617   2.474  -1.725  1.00  0.00           C  
HETATM   35  C   UNL     1       1.816   2.314   0.526  1.00  0.00           C  
HETATM   36 CL   UNL     1       3.936   2.512  -2.853  1.00  0.00          Cl  
HETATM   37  C   UNL     1       1.314   2.568  -2.181  1.00  0.00           C  
HETATM   38  C   UNL     1       0.515   2.408   0.070  1.00  0.00           C  
HETATM   39  C   UNL     1       0.264   2.537  -1.283  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.631   2.368   1.049  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.959   3.790   1.507  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.122   3.750   2.500  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.429   5.079   2.928  1.00  0.00           O  
HETATM   44  C   UNL     1      -3.507   5.154   3.863  1.00  0.00           C  
HETATM   45  H   UNL     1      -7.861  -0.708   1.464  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.938  -3.171  -0.015  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.883  -2.924  -1.777  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.728  -0.106  -2.756  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.575   0.986  -0.503  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.846  -0.384  -1.606  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.901  -0.636   0.155  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.693  -3.701  -1.010  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.559  -2.004  -1.527  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.289  -1.731   2.756  1.00  0.00           H  
HETATM   55  H   UNL     1       0.263  -3.017  -1.282  1.00  0.00           H  
HETATM   56  H   UNL     1       2.145  -1.815   3.111  1.00  0.00           H  
HETATM   57  H   UNL     1       2.696  -3.097  -0.919  1.00  0.00           H  
HETATM   58  H   UNL     1       4.285  -2.213   2.361  1.00  0.00           H  
HETATM   59  H   UNL     1       4.491  -1.813  -0.660  1.00  0.00           H  
HETATM   60  H   UNL     1       4.108  -4.610   1.800  1.00  0.00           H  
HETATM   61  H   UNL     1       4.303  -4.234   0.071  1.00  0.00           H  
HETATM   62  H   UNL     1       6.763  -0.973  -0.150  1.00  0.00           H  
HETATM   63  H   UNL     1       6.527  -1.363   1.570  1.00  0.00           H  
HETATM   64  H   UNL     1       6.348  -3.665   2.265  1.00  0.00           H  
HETATM   65  H   UNL     1       6.453  -4.966   1.056  1.00  0.00           H  
HETATM   66  H   UNL     1       6.507  -3.296  -0.655  1.00  0.00           H  
HETATM   67  H   UNL     1       5.735  -0.329  -1.619  1.00  0.00           H  
HETATM   68  H   UNL     1       4.316   2.477   1.192  1.00  0.00           H  
HETATM   69  H   UNL     1       4.914   2.954  -0.415  1.00  0.00           H  
HETATM   70  H   UNL     1       7.363   1.769   0.051  1.00  0.00           H  
HETATM   71  H   UNL     1       8.053   0.619  -1.215  1.00  0.00           H  
HETATM   72  H   UNL     1       6.549   1.654  -2.976  1.00  0.00           H  
HETATM   73  H   UNL     1       5.859   2.804  -1.710  1.00  0.00           H  
HETATM   74  H   UNL     1       2.012   2.212   1.584  1.00  0.00           H  
HETATM   75  H   UNL     1       1.117   2.666  -3.239  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.753   2.611  -1.639  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.505   1.931   0.567  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.351   1.764   1.912  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.085   4.228   1.989  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.239   4.395   0.644  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.997   3.313   2.018  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.842   3.146   3.363  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.411   4.745   3.409  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.257   4.578   4.754  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.678   6.194   4.138  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    4                                       
CONECT    3    2    2    5    6                                       
CONECT    4    2    7    7   45                                       
CONECT    5    3    8                                                 
CONECT    6    3    9   10   10                                       
CONECT    7    4    4   10   11                                       
CONECT    8    5   12   46   47                                       
CONECT    9    6                                                      
CONECT   10    6    6    7   48                                       
CONECT   11    7   49   50   51                                       
CONECT   12    8   13   52   53                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   15   14   14   17   54                                       
CONECT   16   14   18   18   55                                       
CONECT   17   15   19   19   56                                       
CONECT   18   16   16   19   57                                       
CONECT   19   17   17   18   20                                       
CONECT   20   19   21   22   58                                       
CONECT   21   20   23   24   59                                       
CONECT   22   20   25   60   61                                       
CONECT   23   21   26   26   27                                       
CONECT   24   21   28   62   63                                       
CONECT   25   22   28   64   65                                       
CONECT   26   23   23                                                 
CONECT   27   23   29   30                                            
CONECT   28   24   25   66                                            
CONECT   29   27   31   32   67                                       
CONECT   30   27   33   68   69                                       
CONECT   31   29   32   70   71                                       
CONECT   32   29   31   72   73                                       
CONECT   33   30   34   34   35                                       
CONECT   34   33   33   36   37                                       
CONECT   35   33   38   38   74                                       
CONECT   36   34                                                      
CONECT   37   34   39   39   75                                       
CONECT   38   35   35   39   40                                       
CONECT   39   37   37   38   76                                       
CONECT   40   38   41   77   78                                       
CONECT   41   40   42   79   80                                       
CONECT   42   41   43   81   82                                       
CONECT   43   42   44                                                 
CONECT   44   43   83   84   85                                       
CONECT   45    4                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   40                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   44                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
