COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.140   2.812  -0.714  1.00  0.00           C  
HETATM    2  C   UNL     1       3.944   3.897  -1.005  1.00  0.00           C  
HETATM    3  C   UNL     1       5.317   3.793  -0.885  1.00  0.00           C  
HETATM    4  C   UNL     1       5.891   2.603  -0.474  1.00  0.00           C  
HETATM    5  C   UNL     1       5.092   1.515  -0.182  1.00  0.00           C  
HETATM    6  C   UNL     1       3.712   1.616  -0.301  1.00  0.00           C  
HETATM    7  N   UNL     1       2.900   0.515  -0.005  1.00  0.00           N  
HETATM    8  C   UNL     1       2.802   0.052   1.312  1.00  0.00           C  
HETATM    9  C   UNL     1       3.351  -1.176   1.661  1.00  0.00           C  
HETATM   10  C   UNL     1       3.253  -1.630   2.961  1.00  0.00           C  
HETATM   11  C   UNL     1       2.608  -0.865   3.915  1.00  0.00           C  
HETATM   12  C   UNL     1       2.060   0.357   3.572  1.00  0.00           C  
HETATM   13  C   UNL     1       2.161   0.820   2.274  1.00  0.00           C  
HETATM   14  C   UNL     1       2.213  -0.099  -0.988  1.00  0.00           C  
HETATM   15  O   UNL     1       2.360   0.252  -2.143  1.00  0.00           O  
HETATM   16  C   UNL     1       1.281  -1.196  -0.663  1.00  0.00           C  
HETATM   17  N   UNL     1       0.073  -1.072  -0.150  1.00  0.00           N  
HETATM   18  C   UNL     1       1.515  -2.581  -0.849  1.00  0.00           C  
HETATM   19 CL   UNL     1       2.941  -3.328  -1.499  1.00  0.00          Cl  
HETATM   20  C   UNL     1       0.392  -3.200  -0.413  1.00  0.00           C  
HETATM   21  C   UNL     1       0.137  -4.685  -0.398  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.463  -2.229   0.006  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.739  -2.457   0.527  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.927  -3.408   1.519  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.189  -3.632   2.033  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.275  -2.911   1.563  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.106  -1.961   0.578  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.834  -1.720   0.054  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.646  -0.701  -0.997  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.969  -0.954  -1.975  1.00  0.00           O  
HETATM   31  N   UNL     1      -3.224   0.510  -0.873  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.938   0.892   0.350  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.550   2.295   0.747  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.932   2.740   2.005  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.616   4.017   2.422  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.914   4.859   1.579  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.530   4.416   0.331  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.842   3.128  -0.089  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.366   2.704  -1.454  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.158   1.505  -1.956  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.456   0.899  -3.173  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.261  -0.211  -3.701  1.00  0.00           N  
HETATM   43  H   UNL     1       2.066   2.895  -0.804  1.00  0.00           H  
HETATM   44  H   UNL     1       3.499   4.827  -1.326  1.00  0.00           H  
HETATM   45  H   UNL     1       5.944   4.642  -1.113  1.00  0.00           H  
HETATM   46  H   UNL     1       6.964   2.525  -0.382  1.00  0.00           H  
HETATM   47  H   UNL     1       5.541   0.586   0.139  1.00  0.00           H  
HETATM   48  H   UNL     1       3.855  -1.774   0.916  1.00  0.00           H  
HETATM   49  H   UNL     1       1.737   1.777   2.008  1.00  0.00           H  
HETATM   50  H   UNL     1       3.680  -2.584   3.233  1.00  0.00           H  
HETATM   51  H   UNL     1       2.532  -1.223   4.932  1.00  0.00           H  
HETATM   52  H   UNL     1       1.557   0.952   4.319  1.00  0.00           H  
HETATM   53  H   UNL     1       0.392  -5.088   0.582  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.916  -4.875  -0.606  1.00  0.00           H  
HETATM   55  H   UNL     1       0.751  -5.167  -1.159  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.086  -3.975   1.890  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.331  -4.374   2.805  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.258  -3.094   1.971  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.955  -1.402   0.215  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.012   0.850   0.171  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.678   0.203   1.153  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.165   1.819  -2.230  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.482   2.083   2.663  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.916   4.357   3.402  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.667   5.861   1.897  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.982   5.075  -0.326  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.489   3.534  -2.150  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.311   2.437  -1.398  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.340   1.662  -3.943  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.474   0.528  -2.879  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.736  -0.750  -4.373  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.601  -0.798  -2.954  1.00  0.00           H  
CONECT    1    2    2    6   43                                       
CONECT    2    1    1    3   44                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5   46                                       
CONECT    5    4    6    6   47                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   14                                            
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   10   48                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   12   12   51                                       
CONECT   12   11   11   13   52                                       
CONECT   13    8    8   12   49                                       
CONECT   14    7   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   17   18                                       
CONECT   17   16   16   22                                            
CONECT   18   16   19   20   20                                       
CONECT   19   18                                                      
CONECT   20   18   18   21   22                                       
CONECT   21   20   53   54   55                                       
CONECT   22   17   20   23                                            
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   56                                       
CONECT   25   24   24   26   57                                       
CONECT   26   25   27   27   58                                       
CONECT   27   26   26   28   59                                       
CONECT   28   23   23   27   29                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   40                                            
CONECT   32   31   33   60   61                                       
CONECT   33   32   34   38   38                                       
CONECT   34   33   35   35   63                                       
CONECT   35   34   34   36   64                                       
CONECT   36   35   37   37   65                                       
CONECT   37   36   36   38   66                                       
CONECT   38   33   33   37   39                                       
CONECT   39   38   40   67   68                                       
CONECT   40   31   39   41   62                                       
CONECT   41   40   42   69   70                                       
CONECT   42   41   71   72                                            
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    9                                                      
CONECT   49   13                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   40                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   39                                                      
CONECT   69   41                                                      
CONECT   70   41                                                      
CONECT   71   42                                                      
CONECT   72   42                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
