COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -4.234  -3.211  -1.431  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.998  -2.095  -0.342  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.965  -1.314   0.796  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.220  -0.312   1.399  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.820   0.563   2.248  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.221   0.393   2.472  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.862  -0.204   1.137  1.00  0.00           C  
HETATM    8 CL   UNL     1      -3.930   1.050   1.893  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -6.355  -2.205  -0.074  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.086  -3.187  -0.665  1.00  0.00           O  
HETATM   11  C   UNL     1      -8.478  -3.242  -0.344  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.250  -1.095   0.266  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.879  -0.986   0.001  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.898  -1.711   0.828  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.444  -1.532   0.466  1.00  0.00           C  
HETATM   16  C   UNL     1       0.565  -2.155   1.160  1.00  0.00           C  
HETATM   17  N   UNL     1       1.820  -1.947   0.779  1.00  0.00           N  
HETATM   18  C   UNL     1       2.096  -1.156  -0.248  1.00  0.00           C  
HETATM   19  N   UNL     1       3.418  -0.966  -0.611  1.00  0.00           N  
HETATM   20  C   UNL     1       4.486  -1.635   0.136  1.00  0.00           C  
HETATM   21  N   UNL     1       1.146  -0.541  -0.938  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.130  -0.704  -0.612  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.440  -0.223  -1.016  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.260   0.366  -1.694  1.00  0.00           O  
HETATM   25  N   UNL     1      -1.143  -0.075  -1.315  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.779   0.783  -2.447  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.582   2.196  -1.962  1.00  0.00           C  
HETATM   28  C   UNL     1       0.667   2.613  -1.543  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.648   3.075  -1.944  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.470   4.375  -1.506  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.225   4.798  -1.085  1.00  0.00           C  
HETATM   32  C   UNL     1       0.848   3.916  -1.097  1.00  0.00           C  
HETATM   33  N   UNL     1       2.110   4.342  -0.672  1.00  0.00           N  
HETATM   34  C   UNL     1       2.217   5.245   0.323  1.00  0.00           C  
HETATM   35  O   UNL     1       1.221   5.621   0.912  1.00  0.00           O  
HETATM   36  C   UNL     1       3.536   5.776   0.696  1.00  0.00           C  
HETATM   37  C   UNL     1       3.642   6.668   1.677  1.00  0.00           C  
HETATM   38  H   UNL     1      -8.022  -1.398   1.000  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.574   1.155   3.167  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.755   0.489   1.527  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.404  -0.596   2.894  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.598  -3.392   0.729  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.955  -2.306  -0.635  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.942  -4.069  -0.882  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.030  -1.394   1.863  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.131  -2.775   0.773  1.00  0.00           H  
HETATM   47  H   UNL     1       0.343  -2.799   1.998  1.00  0.00           H  
HETATM   48  H   UNL     1       3.637  -0.391  -1.361  1.00  0.00           H  
HETATM   49  H   UNL     1       4.452  -1.320   1.179  1.00  0.00           H  
HETATM   50  H   UNL     1       4.349  -2.715   0.077  1.00  0.00           H  
HETATM   51  H   UNL     1       0.145   0.419  -2.895  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.577   0.761  -3.189  1.00  0.00           H  
HETATM   53  H   UNL     1       1.500   1.927  -1.562  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.623   2.746  -2.272  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.305   5.060  -1.497  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.086   5.813  -0.743  1.00  0.00           H  
HETATM   57  H   UNL     1       2.909   3.987  -1.092  1.00  0.00           H  
HETATM   58  H   UNL     1       4.420   5.442   0.172  1.00  0.00           H  
HETATM   59  H   UNL     1       4.611   7.057   1.951  1.00  0.00           H  
HETATM   60  H   UNL     1       2.758   7.001   2.200  1.00  0.00           H  
HETATM   61  C   UNL     1       5.842  -1.260  -0.467  1.00  0.00           C  
HETATM   62  C   UNL     1       6.957  -1.958   0.313  1.00  0.00           C  
HETATM   63  C   UNL     1       8.313  -1.582  -0.289  1.00  0.00           C  
HETATM   64  N   UNL     1       9.384  -2.253   0.460  1.00  0.00           N  
HETATM   65  C   UNL     1      10.675  -2.110  -0.226  1.00  0.00           C  
HETATM   66  C   UNL     1       9.461  -1.746   1.837  1.00  0.00           C  
HETATM   67  C   UNL     1      10.345  -2.673   2.673  1.00  0.00           C  
HETATM   68  C   UNL     1      10.689  -2.994  -1.475  1.00  0.00           C  
HETATM   69  H   UNL     1       5.876  -1.574  -1.510  1.00  0.00           H  
HETATM   70  H   UNL     1       5.978  -0.180  -0.408  1.00  0.00           H  
HETATM   71  H   UNL     1       6.923  -1.643   1.357  1.00  0.00           H  
HETATM   72  H   UNL     1       6.820  -3.038   0.255  1.00  0.00           H  
HETATM   73  H   UNL     1       8.347  -1.897  -1.332  1.00  0.00           H  
HETATM   74  H   UNL     1       8.450  -0.502  -0.231  1.00  0.00           H  
HETATM   75  H   UNL     1      10.819  -1.069  -0.516  1.00  0.00           H  
HETATM   76  H   UNL     1      11.479  -2.415   0.444  1.00  0.00           H  
HETATM   77  H   UNL     1       9.888  -0.743   1.832  1.00  0.00           H  
HETATM   78  H   UNL     1       8.460  -1.712   2.268  1.00  0.00           H  
HETATM   79  H   UNL     1      10.316  -2.359   3.717  1.00  0.00           H  
HETATM   80  H   UNL     1       9.979  -3.696   2.591  1.00  0.00           H  
HETATM   81  H   UNL     1      11.371  -2.624   2.308  1.00  0.00           H  
HETATM   82  H   UNL     1      10.433  -4.017  -1.199  1.00  0.00           H  
HETATM   83  H   UNL     1       9.962  -2.618  -2.194  1.00  0.00           H  
HETATM   84  H   UNL     1      11.684  -2.977  -1.921  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    9    1   12   12                                       
CONECT    3    9    9    4   38                                       
CONECT    4    3    5    7    7                                       
CONECT    5    4    6                                                 
CONECT    6    5   39   40   41                                       
CONECT    7    4    4   12    8                                       
CONECT    8    7                                                      
CONECT    9   10    3    3    2                                       
CONECT   10   11    9                                                 
CONECT   11   10   42   43   44                                       
CONECT   12    2    2    7   13                                       
CONECT   13   12   23   14                                            
CONECT   14   13   15   45   46                                       
CONECT   15   14   22   22   16                                       
CONECT   16   15   17   17   47                                       
CONECT   17   16   16   18                                            
CONECT   18   21   21   17   19                                       
CONECT   19   18   20   48                                            
CONECT   20   19   49   50   61                                       
CONECT   21   22   18   18                                            
CONECT   22   25   15   15   21                                       
CONECT   23   24   24   13   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   22                                            
CONECT   26   27   25   51   52                                       
CONECT   27   29   29   28   26                                       
CONECT   28   32   32   27   53                                       
CONECT   29   30   27   27   54                                       
CONECT   30   31   31   29   55                                       
CONECT   31   30   30   32   56                                       
CONECT   32   31   33   28   28                                       
CONECT   33   32   34   57                                            
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   37   58                                       
CONECT   37   36   36   59   60                                       
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   37                                                      
CONECT   61   20   62   69   70                                       
CONECT   62   61   63   71   72                                       
CONECT   63   62   64   73   74                                       
CONECT   64   63   65   66                                            
CONECT   65   64   68   75   76                                       
CONECT   66   64   67   77   78                                       
CONECT   67   66   79   80   81                                       
CONECT   68   65   82   83   84                                       
CONECT   69   61                                                      
CONECT   70   61                                                      
CONECT   71   62                                                      
CONECT   72   62                                                      
CONECT   73   63                                                      
CONECT   74   63                                                      
CONECT   75   65                                                      
CONECT   76   65                                                      
CONECT   77   66                                                      
CONECT   78   66                                                      
CONECT   79   67                                                      
CONECT   80   67                                                      
CONECT   81   67                                                      
CONECT   82   68                                                      
CONECT   83   68                                                      
CONECT   84   68                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
