COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.803  -1.422  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.603  -2.660  -0.880  1.00  0.00           C  
HETATM    3  C   UNL     1       0.701  -3.358  -0.488  1.00  0.00           C  
HETATM    4  C   UNL     1       0.976  -4.508  -1.459  1.00  0.00           C  
HETATM    5  C   UNL     1       2.280  -5.205  -1.067  1.00  0.00           C  
HETATM    6  C   UNL     1       2.156  -5.757   0.354  1.00  0.00           C  
HETATM    7  C   UNL     1       1.881  -4.607   1.325  1.00  0.00           C  
HETATM    8  C   UNL     1       0.577  -3.909   0.933  1.00  0.00           C  
HETATM    9  C   UNL     1       0.327  -0.453  -0.237  1.00  0.00           C  
HETATM   10  C   UNL     1       2.429   1.388   1.298  1.00  0.00           C  
HETATM   11  C   UNL     1       1.136   2.132   1.088  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.003   2.874   1.136  1.00  0.00           C  
HETATM   13  C   UNL     1       0.908   3.311   0.197  1.00  0.00           C  
HETATM   14  C   UNL     1       3.954  -0.350   0.352  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.199  -2.113   1.029  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.225  -1.236   0.188  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.403  -0.720  -0.210  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.601  -1.259   0.408  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.814  -0.565  -0.158  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.442  -1.076  -1.278  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.554  -0.440  -1.798  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.039   0.706  -1.197  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.411   1.217  -0.075  1.00  0.00           C  
HETATM   24 CL   UNL     1      -9.019   2.657   0.680  1.00  0.00          Cl  
HETATM   25  C   UNL     1      -7.301   0.578   0.447  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.075  -0.781  -0.347  1.00  0.00           N  
HETATM   27  N   UNL     1       1.530  -0.671   0.332  1.00  0.00           N  
HETATM   28  C   UNL     1       2.592   0.330   0.205  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.049   1.870   1.659  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.386   3.664   0.305  1.00  0.00           N  
HETATM   31  O   UNL     1       1.737   3.850  -0.497  1.00  0.00           O  
HETATM   32  O   UNL     1       4.047  -0.956   1.643  1.00  0.00           O  
HETATM   33  O   UNL     1       0.155   0.522  -0.938  1.00  0.00           O  
HETATM   34  H   UNL     1      -0.817  -1.718   1.045  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.439  -3.345  -0.738  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.554  -2.360  -1.927  1.00  0.00           H  
HETATM   37  H   UNL     1       1.522  -2.642  -0.530  1.00  0.00           H  
HETATM   38  H   UNL     1       0.154  -5.223  -1.418  1.00  0.00           H  
HETATM   39  H   UNL     1       1.064  -4.115  -2.472  1.00  0.00           H  
HETATM   40  H   UNL     1       2.476  -6.025  -1.759  1.00  0.00           H  
HETATM   41  H   UNL     1       3.101  -4.490  -1.109  1.00  0.00           H  
HETATM   42  H   UNL     1       1.334  -6.472   0.396  1.00  0.00           H  
HETATM   43  H   UNL     1       3.085  -6.254   0.634  1.00  0.00           H  
HETATM   44  H   UNL     1       1.793  -5.000   2.338  1.00  0.00           H  
HETATM   45  H   UNL     1       2.702  -3.892   1.283  1.00  0.00           H  
HETATM   46  H   UNL     1       0.381  -3.090   1.625  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.245  -4.624   0.975  1.00  0.00           H  
HETATM   48  H   UNL     1       3.263   2.089   1.252  1.00  0.00           H  
HETATM   49  H   UNL     1       2.415   0.903   2.274  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.048   2.939   1.400  1.00  0.00           H  
HETATM   51  H   UNL     1       4.063  -1.115  -0.417  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.666  -2.328   0.205  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.559  -1.096   1.485  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.063  -1.971  -1.748  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.044  -0.839  -2.674  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.907   1.203  -1.604  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.811   0.976   1.323  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.089  -0.028  -0.959  1.00  0.00           H  
HETATM   59  H   UNL     1       1.692  -1.490   0.826  1.00  0.00           H  
HETATM   60  H   UNL     1       2.528   0.806  -0.774  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.266   1.080   2.362  1.00  0.00           H  
HETATM   62  H   UNL     1       3.959  -0.332   2.377  1.00  0.00           H  
HETATM   63  P   UNL     1       5.277   0.891   0.166  1.00  0.00           P  
HETATM   64  O   UNL     1       5.347   1.723   1.387  1.00  0.00           O  
HETATM   65  O   UNL     1       6.686   0.144  -0.056  1.00  0.00           O  
HETATM   66  O   UNL     1       4.959   1.827  -1.105  1.00  0.00           O  
HETATM   67  C   UNL     1       5.755   2.961  -1.453  1.00  0.00           C  
HETATM   68  C   UNL     1       5.178   3.623  -2.707  1.00  0.00           C  
HETATM   69  C   UNL     1       7.932   0.839  -0.132  1.00  0.00           C  
HETATM   70  C   UNL     1       9.065  -0.166  -0.347  1.00  0.00           C  
HETATM   71  H   UNL     1       5.749   3.676  -0.630  1.00  0.00           H  
HETATM   72  H   UNL     1       6.778   2.641  -1.650  1.00  0.00           H  
HETATM   73  H   UNL     1       5.184   2.908  -3.530  1.00  0.00           H  
HETATM   74  H   UNL     1       4.155   3.943  -2.510  1.00  0.00           H  
HETATM   75  H   UNL     1       5.785   4.489  -2.973  1.00  0.00           H  
HETATM   76  H   UNL     1       7.906   1.542  -0.965  1.00  0.00           H  
HETATM   77  H   UNL     1       8.101   1.384   0.798  1.00  0.00           H  
HETATM   78  H   UNL     1       9.091  -0.868   0.487  1.00  0.00           H  
HETATM   79  H   UNL     1       8.896  -0.710  -1.276  1.00  0.00           H  
HETATM   80  H   UNL     1      10.015   0.365  -0.404  1.00  0.00           H  
CONECT    1    2    9   26   34                                       
CONECT    2    3    1   35   36                                       
CONECT    3    8    4    2   37                                       
CONECT    4    5    3   38   39                                       
CONECT    5    6    4   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    3   46   47                                       
CONECT    9   27    1   33   33                                       
CONECT   10   28   11   48   49                                       
CONECT   11   10   13   29   29                                       
CONECT   12   29   30   30   50                                       
CONECT   13   31   31   11   30                                       
CONECT   14   32   28   51   63                                       
CONECT   15   16   16                                                 
CONECT   16   26   15   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   52   53                                       
CONECT   19   25   18   20   20                                       
CONECT   20   19   19   21   54                                       
CONECT   21   22   22   20   55                                       
CONECT   22   23   21   21   56                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23                                                      
CONECT   25   23   23   19   57                                       
CONECT   26    1   16   58                                            
CONECT   27   28    9   59                                            
CONECT   28   14   27   10   60                                       
CONECT   29   11   11   12   61                                       
CONECT   30   13   12   12                                            
CONECT   31   13   13                                                 
CONECT   32   14   62                                                 
CONECT   33    9    9                                                 
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
CONECT   63   14   64   64   65                                       
CONECT   63   66                                                      
CONECT   64   63   63                                                 
CONECT   65   63   69                                                 
CONECT   66   63   67                                                 
CONECT   67   66   68   71   72                                       
CONECT   68   67   73   74   75                                       
CONECT   69   65   70   76   77                                       
CONECT   70   69   78   79   80                                       
CONECT   71   67                                                      
CONECT   72   67                                                      
CONECT   73   68                                                      
CONECT   74   68                                                      
CONECT   75   68                                                      
CONECT   76   69                                                      
CONECT   77   69                                                      
CONECT   78   70                                                      
CONECT   79   70                                                      
CONECT   80   70                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
