COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.109   2.395  -0.633  1.00  0.00           C  
HETATM    2  C   UNL     1       9.017   1.549  -0.668  1.00  0.00           C  
HETATM    3  C   UNL     1       8.679   0.812   0.457  1.00  0.00           C  
HETATM    4  C   UNL     1       9.443   0.928   1.620  1.00  0.00           C  
HETATM    5  C   UNL     1      10.537   1.780   1.646  1.00  0.00           C  
HETATM    6  C   UNL     1      10.867   2.510   0.521  1.00  0.00           C  
HETATM    7  N   UNL     1       8.869   0.079   2.564  1.00  0.00           N  
HETATM    8  C   UNL     1       7.805  -0.524   2.001  1.00  0.00           C  
HETATM    9  N   UNL     1       7.665  -0.102   0.730  1.00  0.00           N  
HETATM   10  C   UNL     1       6.623  -0.532  -0.205  1.00  0.00           C  
HETATM   11  C   UNL     1       9.342  -0.122   3.936  1.00  0.00           C  
HETATM   12 CL   UNL     1      10.538   3.314  -2.043  1.00  0.00          Cl  
HETATM   13  C   UNL     1       6.716  -2.046  -0.415  1.00  0.00           C  
HETATM   14  C   UNL     1       5.588  -2.498  -1.345  1.00  0.00           C  
HETATM   15  N   UNL     1       4.292  -2.147  -0.751  1.00  0.00           N  
HETATM   16  C   UNL     1       4.160  -0.694  -0.584  1.00  0.00           C  
HETATM   17  C   UNL     1       5.246  -0.189   0.369  1.00  0.00           C  
HETATM   18  C   UNL     1       3.183  -2.688  -1.549  1.00  0.00           C  
HETATM   19  C   UNL     1       1.872  -2.522  -0.778  1.00  0.00           C  
HETATM   20  C   UNL     1       0.717  -3.086  -1.609  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.538  -2.927  -0.871  1.00  0.00           N  
HETATM   22  C   UNL     1      -1.273  -1.804  -1.025  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.485  -1.684  -0.294  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.853  -2.725   0.540  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.071  -3.800   0.636  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.960  -3.903  -0.045  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.904  -0.915  -1.773  1.00  0.00           O  
HETATM   28  O   UNL     1       7.081  -1.328   2.557  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.333  -0.475  -0.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.857   0.762   0.011  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.651   1.884  -0.110  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.918   1.783  -0.659  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.395   0.557  -1.090  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.607  -0.570  -0.980  1.00  0.00           C  
HETATM   35 CL   UNL     1      -5.911   3.199  -0.807  1.00  0.00          Cl  
HETATM   36  C   UNL     1      -6.775   0.455  -1.686  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.776   0.544  -0.620  1.00  0.00           N  
HETATM   38  C   UNL     1      -9.088   0.476  -0.920  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.441   0.340  -2.075  1.00  0.00           O  
HETATM   40  C   UNL     1     -10.097   0.566   0.155  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.457   0.495  -0.152  1.00  0.00           C  
HETATM   42  C   UNL     1     -12.394   0.580   0.855  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.989   0.734   2.172  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.639   0.805   2.483  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.694   0.715   1.484  1.00  0.00           C  
HETATM   46  F   UNL     1     -12.911   0.816   3.155  1.00  0.00           F  
HETATM   47  H   UNL     1       8.429   1.463  -1.569  1.00  0.00           H  
HETATM   48  H   UNL     1      11.130   1.871   2.544  1.00  0.00           H  
HETATM   49  H   UNL     1      11.719   3.173   0.542  1.00  0.00           H  
HETATM   50  H   UNL     1       6.758  -0.023  -1.160  1.00  0.00           H  
HETATM   51  H   UNL     1       8.856   0.595   4.597  1.00  0.00           H  
HETATM   52  H   UNL     1       9.102  -1.135   4.258  1.00  0.00           H  
HETATM   53  H   UNL     1      10.422   0.024   3.973  1.00  0.00           H  
HETATM   54  H   UNL     1       7.679  -2.293  -0.864  1.00  0.00           H  
HETATM   55  H   UNL     1       6.621  -2.553   0.545  1.00  0.00           H  
HETATM   56  H   UNL     1       5.692  -2.001  -2.310  1.00  0.00           H  
HETATM   57  H   UNL     1       5.643  -3.578  -1.485  1.00  0.00           H  
HETATM   58  H   UNL     1       4.271  -0.206  -1.552  1.00  0.00           H  
HETATM   59  H   UNL     1       3.178  -0.464  -0.171  1.00  0.00           H  
HETATM   60  H   UNL     1       5.128  -0.666   1.342  1.00  0.00           H  
HETATM   61  H   UNL     1       5.157   0.892   0.481  1.00  0.00           H  
HETATM   62  H   UNL     1       3.120  -2.150  -2.494  1.00  0.00           H  
HETATM   63  H   UNL     1       3.359  -3.746  -1.744  1.00  0.00           H  
HETATM   64  H   UNL     1       1.936  -3.061   0.168  1.00  0.00           H  
HETATM   65  H   UNL     1       1.697  -1.464  -0.583  1.00  0.00           H  
HETATM   66  H   UNL     1       0.654  -2.547  -2.555  1.00  0.00           H  
HETATM   67  H   UNL     1       0.893  -4.144  -1.804  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.768  -2.666   1.111  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.361  -4.796   0.062  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.869   0.842   0.440  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.283   2.843   0.225  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.979  -1.525  -1.321  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.926   1.269  -2.395  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.878  -0.500  -2.202  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.494   0.652   0.302  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.774   0.375  -1.178  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.447   0.526   0.618  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.329   0.926   3.510  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.643   0.766   1.728  1.00  0.00           H  
CONECT    1    2    2    6   12                                       
CONECT    2    1    1    3   47                                       
CONECT    3    2    4    4    9                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   48                                       
CONECT    6    1    5    5   49                                       
CONECT    7    4    8   11                                            
CONECT    8    7    9   28   28                                       
CONECT    9    3    8   10                                            
CONECT   10    9   13   17   50                                       
CONECT   11    7   51   52   53                                       
CONECT   12    1                                                      
CONECT   13   10   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   18                                            
CONECT   16   15   17   58   59                                       
CONECT   17   10   16   60   61                                       
CONECT   18   15   19   62   63                                       
CONECT   19   18   20   64   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22   26                                            
CONECT   22   21   23   27   27                                       
CONECT   23   22   24   24   29                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26                                            
CONECT   26   21   25   25   69                                       
CONECT   27   22   22                                                 
CONECT   28    8    8                                                 
CONECT   29   23   30   30   34                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   32   71                                       
CONECT   32   31   31   33   35                                       
CONECT   33   32   34   34   36                                       
CONECT   34   29   33   33   72                                       
CONECT   35   32                                                      
CONECT   36   33   37   73   74                                       
CONECT   37   36   38   75                                            
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   41   45                                       
CONECT   41   40   40   42   76                                       
CONECT   42   41   43   43   77                                       
CONECT   43   42   42   44   46                                       
CONECT   44   43   45   45   78                                       
CONECT   45   40   44   44   79                                       
CONECT   46   43                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   41                                                      
CONECT   77   42                                                      
CONECT   78   44                                                      
CONECT   79   45                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
