COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.840  -6.163  -1.831  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.500  -5.802   0.133  1.00  0.00           C  
HETATM    3  C   UNL     1       0.836   0.591   0.780  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.620   0.679   1.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.913   1.225   0.331  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.016   1.783  -0.627  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.950   1.652   0.783  1.00  0.00           C  
HETATM    8 CL   UNL     1       5.450   4.273   0.841  1.00  0.00          Cl  
HETATM    9  C   UNL     1       4.048   3.250   0.853  1.00  0.00           C  
HETATM   10  C   UNL     1       2.834   3.749   1.304  1.00  0.00           C  
HETATM   11  C   UNL     1       1.719   2.961   1.322  1.00  0.00           C  
HETATM   12  C   UNL     1       1.790   1.632   0.882  1.00  0.00           C  
HETATM   13  C   UNL     1       3.015   1.113   0.423  1.00  0.00           C  
HETATM   14  N   UNL     1       2.798  -0.194   0.058  1.00  0.00           N  
HETATM   15  C   UNL     1       1.471  -0.504   0.284  1.00  0.00           C  
HETATM   16  C   UNL     1       0.844  -1.807   0.022  1.00  0.00           C  
HETATM   17  N   UNL     1       1.578  -2.820  -0.480  1.00  0.00           N  
HETATM   18  C   UNL     1       1.011  -4.090  -0.626  1.00  0.00           C  
HETATM   19  C   UNL     1       1.397  -4.906  -1.682  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.104  -6.615  -0.932  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.510  -6.284   1.098  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.051  -7.508   0.951  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.852  -5.575   2.023  1.00  0.00           O  
HETATM   24  C   UNL     1       0.063  -4.534   0.283  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.338  -1.972   0.259  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.435   1.136  -0.053  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.675   1.652  -0.800  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.587   1.512   0.608  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.571   1.358   2.125  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.816   2.194  -1.684  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.179   2.332  -1.504  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.048   2.778  -2.652  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.746   2.062  -0.272  1.00  0.00           C  
HETATM   34 CL   UNL     1      -9.459   2.236  -0.049  1.00  0.00          Cl  
HETATM   35  C   UNL     1       4.149   1.936   0.411  1.00  0.00           C  
HETATM   36  C   UNL     1       5.451   1.408  -0.070  1.00  0.00           C  
HETATM   37  C   UNL     1       5.911   1.447  -1.354  1.00  0.00           C  
HETATM   38  C   UNL     1       5.191   2.033  -2.540  1.00  0.00           C  
HETATM   39  N   UNL     1       7.128   0.866  -1.368  1.00  0.00           N  
HETATM   40  C   UNL     1       7.984   0.693  -2.544  1.00  0.00           C  
HETATM   41  N   UNL     1       7.432   0.456  -0.064  1.00  0.00           N  
HETATM   42  C   UNL     1       6.437   0.782   0.717  1.00  0.00           C  
HETATM   43  C   UNL     1       6.354   0.524   2.199  1.00  0.00           C  
HETATM   44  H   UNL     1       1.141  -6.791  -2.656  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.970  -0.301   1.483  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.742   1.396   1.969  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.264   0.246   0.656  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.035   1.942   1.143  1.00  0.00           H  
HETATM   49  H   UNL     1       2.770   4.772   1.644  1.00  0.00           H  
HETATM   50  H   UNL     1       0.781   3.363   1.675  1.00  0.00           H  
HETATM   51  H   UNL     1       3.468  -0.800  -0.296  1.00  0.00           H  
HETATM   52  H   UNL     1       2.500  -2.668  -0.741  1.00  0.00           H  
HETATM   53  H   UNL     1       2.136  -4.558  -2.389  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.537  -7.597  -1.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.708  -7.779   1.607  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.239  -3.901   1.104  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.084   2.115  -0.379  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.313   0.418  -0.865  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.966   1.192   1.431  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.856   0.307   2.171  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.850   1.573   2.914  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.455   1.981   2.261  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.374   2.405  -2.646  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.394   1.905  -3.206  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.907   3.326  -2.266  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.472   3.424  -3.314  1.00  0.00           H  
HETATM   67  H   UNL     1       5.455   3.086  -2.642  1.00  0.00           H  
HETATM   68  H   UNL     1       5.482   1.497  -3.444  1.00  0.00           H  
HETATM   69  H   UNL     1       4.115   1.942  -2.394  1.00  0.00           H  
HETATM   70  H   UNL     1       8.634   1.562  -2.651  1.00  0.00           H  
HETATM   71  H   UNL     1       8.593  -0.203  -2.423  1.00  0.00           H  
HETATM   72  H   UNL     1       7.363   0.593  -3.434  1.00  0.00           H  
HETATM   73  H   UNL     1       6.776   1.372   2.740  1.00  0.00           H  
HETATM   74  H   UNL     1       5.311   0.393   2.487  1.00  0.00           H  
HETATM   75  H   UNL     1       6.915  -0.378   2.443  1.00  0.00           H  
CONECT    1   20   20   19   44                                       
CONECT    2   20   21   24   24                                       
CONECT    3   15   15    4   12                                       
CONECT    4    3   26   45   46                                       
CONECT    5   26   27   47   48                                       
CONECT    6   27   30   30   28                                       
CONECT    7   28   28   33   29                                       
CONECT    8    9                                                      
CONECT    9   35   10   10    8                                       
CONECT   10    9    9   11   49                                       
CONECT   11   12   12   10   50                                       
CONECT   12    3   13   11   11                                       
CONECT   13   14   35   35   12                                       
CONECT   14   15   13   51                                            
CONECT   15   16   14    3    3                                       
CONECT   16   17   25   25   15                                       
CONECT   17   18   16   52                                            
CONECT   18   19   19   24   17                                       
CONECT   19    1   18   18   53                                       
CONECT   20    1    1    2   54                                       
CONECT   21   23   23    2   22                                       
CONECT   22   21   55                                                 
CONECT   23   21   21                                                 
CONECT   24    2    2   18   56                                       
CONECT   25   16   16                                                 
CONECT   26    4    5   57   58                                       
CONECT   27    5    6                                                 
CONECT   28    6    7    7   59                                       
CONECT   29    7   60   61   62                                       
CONECT   30    6    6   31   63                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31   64   65   66                                       
CONECT   33   31   31    7   34                                       
CONECT   34   33                                                      
CONECT   35   36   13   13    9                                       
CONECT   36   42   37   37   35                                       
CONECT   37   39   36   36   38                                       
CONECT   38   37   67   68   69                                       
CONECT   39   41   40   37                                            
CONECT   40   39   70   71   72                                       
CONECT   41   42   42   39                                            
CONECT   42   43   41   41   36                                       
CONECT   43   42   73   74   75                                       
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   38                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   43                                                      
CONECT   74   43                                                      
CONECT   75   43                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
