COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.362  -3.960   0.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.882  -4.042   0.045  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.503  -2.861   0.658  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.065  -1.626  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.550  -1.472   0.151  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.852  -2.683  -0.473  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.098  -0.215  -0.548  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.587   0.981  -0.166  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.142  -2.734  -1.871  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.363  -2.566  -0.270  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.859  -1.905   0.832  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.557  -1.797   1.019  1.00  0.00           N  
HETATM   13  C   UNL     1       0.312  -2.313   0.166  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.125  -2.992  -0.965  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.484  -3.127  -1.186  1.00  0.00           C  
HETATM   16  O   UNL     1       1.642  -2.178   0.397  1.00  0.00           O  
HETATM   17  C   UNL     1       2.026  -1.469   1.577  1.00  0.00           C  
HETATM   18  C   UNL     1       3.553  -1.420   1.667  1.00  0.00           C  
HETATM   19  O   UNL     1       4.070  -0.651   0.579  1.00  0.00           O  
HETATM   20  C   UNL     1       5.420  -0.508   0.511  1.00  0.00           C  
HETATM   21  C   UNL     1       6.182  -1.430  -0.193  1.00  0.00           C  
HETATM   22  C   UNL     1       7.555  -1.281  -0.261  1.00  0.00           C  
HETATM   23  C   UNL     1       8.169  -0.216   0.372  1.00  0.00           C  
HETATM   24  C   UNL     1       7.412   0.703   1.074  1.00  0.00           C  
HETATM   25  C   UNL     1       6.038   0.564   1.140  1.00  0.00           C  
HETATM   26 CL   UNL     1       5.088   1.723   2.015  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       5.412  -2.768  -0.987  1.00  0.00          Cl  
HETATM   28  C   UNL     1       9.665  -0.057   0.296  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.294  -0.281  -1.453  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.089   2.209  -0.791  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.617   1.054   0.873  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.676   2.466  -0.337  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.616   2.168  -1.172  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.319   2.404  -0.755  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.081   2.938   0.498  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.140   3.236   1.334  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.439   3.006   0.915  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.013   1.519   0.453  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.115   2.443   1.278  1.00  0.00           C  
HETATM   40 CL   UNL     1      -3.770   3.388   1.962  1.00  0.00          Cl  
HETATM   41  C   UNL     1       0.836   2.079  -1.667  1.00  0.00           C  
HETATM   42  C   UNL     1       1.163   3.299  -2.530  1.00  0.00           C  
HETATM   43  O   UNL     1       2.259   2.991  -3.395  1.00  0.00           O  
HETATM   44  C   UNL     1       2.647   4.069  -4.248  1.00  0.00           C  
HETATM   45  H   UNL     1      -4.106  -3.938   1.261  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.900  -4.828  -0.267  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.136  -4.077  -1.014  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.249  -4.942   0.537  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.509  -2.937   0.652  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.318  -1.672  -1.063  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.565  -0.772   0.452  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.297  -1.411   1.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.735  -3.481  -2.330  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.539  -1.471   1.550  1.00  0.00           H  
HETATM   55  H   UNL     1       0.587  -3.412  -1.660  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.853  -3.654  -2.054  1.00  0.00           H  
HETATM   57  H   UNL     1       1.632  -0.454   1.536  1.00  0.00           H  
HETATM   58  H   UNL     1       1.627  -1.979   2.454  1.00  0.00           H  
HETATM   59  H   UNL     1       3.846  -0.958   2.610  1.00  0.00           H  
HETATM   60  H   UNL     1       3.953  -2.433   1.618  1.00  0.00           H  
HETATM   61  H   UNL     1       8.149  -1.999  -0.808  1.00  0.00           H  
HETATM   62  H   UNL     1       7.894   1.534   1.568  1.00  0.00           H  
HETATM   63  H   UNL     1       9.923   0.546  -0.574  1.00  0.00           H  
HETATM   64  H   UNL     1      10.025   0.435   1.200  1.00  0.00           H  
HETATM   65  H   UNL     1      10.131  -1.039   0.208  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.108   2.099  -1.875  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.722   3.047  -0.501  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.554   0.294   1.652  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.801   1.751  -2.151  1.00  0.00           H  
HETATM   70  H   UNL     1       0.932   3.121   0.823  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.955   3.652   2.313  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.165   1.772  -0.597  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.867   1.066   0.956  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.378   2.597   2.325  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.676   3.302   0.772  1.00  0.00           H  
HETATM   76  H   UNL     1       1.707   1.813  -1.069  1.00  0.00           H  
HETATM   77  H   UNL     1       0.567   1.241  -2.310  1.00  0.00           H  
HETATM   78  H   UNL     1       0.292   3.565  -3.129  1.00  0.00           H  
HETATM   79  H   UNL     1       1.433   4.137  -1.888  1.00  0.00           H  
HETATM   80  H   UNL     1       1.806   4.351  -4.882  1.00  0.00           H  
HETATM   81  H   UNL     1       2.947   4.923  -3.641  1.00  0.00           H  
HETATM   82  H   UNL     1       3.483   3.756  -4.873  1.00  0.00           H  
CONECT    1    2    6   45   46                                       
CONECT    2    1    3   47   48                                       
CONECT    3    2    4   49                                            
CONECT    4    3    5   50   51                                       
CONECT    5    4    6    7   52                                       
CONECT    6    1    5    9   10                                       
CONECT    7    5    8   29   29                                       
CONECT    8    7   30   31                                            
CONECT    9    6   53                                                 
CONECT   10    6   11   11   15                                       
CONECT   11   10   10   12   54                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   55                                       
CONECT   15   10   14   14   56                                       
CONECT   16   13   17                                                 
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   27                                       
CONECT   22   21   23   23   61                                       
CONECT   23   22   22   24   28                                       
CONECT   24   23   25   25   62                                       
CONECT   25   20   24   24   26                                       
CONECT   26   25                                                      
CONECT   27   21                                                      
CONECT   28   23   63   64   65                                       
CONECT   29    7    7                                                 
CONECT   30    8   32   66   67                                       
CONECT   31    8   38   39   68                                       
CONECT   32   30   33   33   37                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   41                                       
CONECT   35   34   34   36   70                                       
CONECT   36   35   37   37   71                                       
CONECT   37   32   36   36   40                                       
CONECT   38   31   39   72   73                                       
CONECT   39   31   38   74   75                                       
CONECT   40   37                                                      
CONECT   41   34   42   76   77                                       
CONECT   42   41   43   78   79                                       
CONECT   43   42   44                                                 
CONECT   44   43   80   81   82                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   44                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
