COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.243  -3.053   1.420  1.00  0.00           C  
HETATM    2  C   UNL     1       3.440  -2.149   0.417  1.00  0.00           C  
HETATM    3  C   UNL     1       4.288  -2.748  -0.534  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.612   0.173   0.340  1.00  0.00           N  
HETATM    5  C   UNL     1       1.793   1.777   0.200  1.00  0.00           C  
HETATM    6  C   UNL     1       3.152   1.588   0.010  1.00  0.00           C  
HETATM    7  C   UNL     1       3.693   0.313   0.080  1.00  0.00           C  
HETATM    8  C   UNL     1       5.841   0.784   0.946  1.00  0.00           C  
HETATM    9  C   UNL     1       7.323   0.435   0.788  1.00  0.00           C  
HETATM   10  C   UNL     1       7.806   0.896  -0.590  1.00  0.00           C  
HETATM   11  C   UNL     1       6.951   0.230  -1.672  1.00  0.00           C  
HETATM   12  C   UNL     1       5.480   0.585  -1.442  1.00  0.00           C  
HETATM   13  C   UNL     1       8.406   3.026   0.394  1.00  0.00           C  
HETATM   14  C   UNL     1       8.134   2.834  -2.005  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.695  -2.135  -0.725  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.057  -1.923  -0.625  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.506  -0.721  -0.070  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.302   0.680   0.721  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.927   2.414   2.334  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.546   1.225   0.427  1.00  0.00           C  
HETATM   21 CL   UNL     1      -4.185  -3.123  -1.176  1.00  0.00          Cl  
HETATM   22  N   UNL     1      -0.861  -1.199  -0.296  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.864  -0.466   0.051  1.00  0.00           N  
HETATM   24  P   UNL     1      -7.607   0.446  -0.821  1.00  0.00           P  
HETATM   25  C   UNL     1      -8.344  -1.071  -0.131  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.932   1.603  -1.299  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.797   0.104  -2.012  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.973   2.360   1.087  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.165   2.954   2.039  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.493   1.279   1.678  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.315  -0.069   0.226  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.410   0.884   0.663  1.00  0.00           N  
HETATM   33  C   UNL     1       0.966   0.688   0.467  1.00  0.00           C  
HETATM   34  C   UNL     1       1.500  -0.588   0.537  1.00  0.00           C  
HETATM   35  O   UNL     1       1.266   3.029   0.130  1.00  0.00           O  
HETATM   36  C   UNL     1       2.172   4.100  -0.141  1.00  0.00           C  
HETATM   37  N   UNL     1       5.065   0.123  -0.112  1.00  0.00           N  
HETATM   38  N   UNL     1       7.678   2.356  -0.693  1.00  0.00           N  
HETATM   39  C   UNL     1       2.865  -0.783   0.342  1.00  0.00           C  
HETATM   40  N   UNL     1       4.581  -3.952  -0.117  1.00  0.00           N  
HETATM   41  N   UNL     1       3.937  -4.167   1.107  1.00  0.00           N  
HETATM   42  C   UNL     1       4.006  -5.390   1.911  1.00  0.00           C  
HETATM   43  H   UNL     1       2.643  -2.902   2.305  1.00  0.00           H  
HETATM   44  H   UNL     1       4.636  -2.293  -1.450  1.00  0.00           H  
HETATM   45  H   UNL     1       3.792   2.435  -0.193  1.00  0.00           H  
HETATM   46  H   UNL     1       5.490   0.445   1.920  1.00  0.00           H  
HETATM   47  H   UNL     1       5.712   1.864   0.869  1.00  0.00           H  
HETATM   48  H   UNL     1       7.900   0.939   1.563  1.00  0.00           H  
HETATM   49  H   UNL     1       7.454  -0.643   0.877  1.00  0.00           H  
HETATM   50  H   UNL     1       8.850   0.612  -0.724  1.00  0.00           H  
HETATM   51  H   UNL     1       7.263   0.587  -2.653  1.00  0.00           H  
HETATM   52  H   UNL     1       7.077  -0.851  -1.621  1.00  0.00           H  
HETATM   53  H   UNL     1       5.353   1.666  -1.508  1.00  0.00           H  
HETATM   54  H   UNL     1       4.867   0.101  -2.203  1.00  0.00           H  
HETATM   55  H   UNL     1       9.462   2.763   0.340  1.00  0.00           H  
HETATM   56  H   UNL     1       8.294   4.106   0.294  1.00  0.00           H  
HETATM   57  H   UNL     1       8.000   2.706   1.354  1.00  0.00           H  
HETATM   58  H   UNL     1       7.532   2.374  -2.788  1.00  0.00           H  
HETATM   59  H   UNL     1       8.028   3.918  -2.054  1.00  0.00           H  
HETATM   60  H   UNL     1       9.181   2.564  -2.146  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.315  -3.052  -1.149  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.299   2.880   3.078  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.509  -1.082  -0.330  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.981  -1.539  -0.882  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.551  -1.763   0.154  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.940  -0.819   0.746  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.491   2.511  -1.712  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.569   1.135  -2.050  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.528   1.855  -0.422  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.940   2.784   0.859  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.502   3.842   2.554  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.526   0.857   1.909  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.727   1.687   1.105  1.00  0.00           H  
HETATM   74  H   UNL     1       0.858  -1.432   0.744  1.00  0.00           H  
HETATM   75  H   UNL     1       2.928   4.144   0.643  1.00  0.00           H  
HETATM   76  H   UNL     1       2.655   3.932  -1.103  1.00  0.00           H  
HETATM   77  H   UNL     1       1.623   5.042  -0.169  1.00  0.00           H  
HETATM   78  H   UNL     1       3.203  -6.065   1.614  1.00  0.00           H  
HETATM   79  H   UNL     1       4.968  -5.877   1.751  1.00  0.00           H  
HETATM   80  H   UNL     1       3.897  -5.138   2.966  1.00  0.00           H  
CONECT    1   41    2    2   43                                       
CONECT    2    1    1   39    3                                       
CONECT    3    2   40   40   44                                       
CONECT    4   17   17   31                                            
CONECT    5   33   35    6    6                                       
CONECT    6    5    5    7   45                                       
CONECT    7   39   39    6   37                                       
CONECT    8   37    9   46   47                                       
CONECT    9    8   10   48   49                                       
CONECT   10   11    9   38   50                                       
CONECT   11   12   10   51   52                                       
CONECT   12   37   11   53   54                                       
CONECT   13   38   55   56   57                                       
CONECT   14   38   58   59   60                                       
CONECT   15   16   16   22   61                                       
CONECT   16   21   15   15   17                                       
CONECT   17   16   23    4    4                                       
CONECT   18   20   23   30   30                                       
CONECT   19   29   29   30   62                                       
CONECT   20   24   28   28   18                                       
CONECT   21   16                                                      
CONECT   22   15   31   31                                            
CONECT   23   18   17   63                                            
CONECT   24   25   27   27   26                                       
CONECT   24   20                                                      
CONECT   25   24   64   65   66                                       
CONECT   26   24   67   68   69                                       
CONECT   27   24   24                                                 
CONECT   28   20   20   29   70                                       
CONECT   29   28   19   19   71                                       
CONECT   30   18   18   19   72                                       
CONECT   31   22   22    4   32                                       
CONECT   32   31   33   73                                            
CONECT   33   32   34   34    5                                       
CONECT   34   33   33   39   74                                       
CONECT   35    5   36                                                 
CONECT   36   35   75   76   77                                       
CONECT   37    7   12    8                                            
CONECT   38   10   14   13                                            
CONECT   39   34    2    7    7                                       
CONECT   40   41    3    3                                            
CONECT   41   42    1   40                                            
CONECT   42   41   78   79   80                                       
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   19                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   32                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
