COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       2.633  -1.694  -1.063  1.00  0.00           C  
HETATM    2  C   UNL     1       3.263  -2.619  -0.016  1.00  0.00           C  
HETATM    3  C   UNL     1       4.775  -2.425  -0.037  1.00  0.00           C  
HETATM    4  C   UNL     1       5.138  -0.965   0.003  1.00  0.00           C  
HETATM    5  C   UNL     1       6.454  -0.636   0.301  1.00  0.00           C  
HETATM    6  C   UNL     1       6.855   0.684   0.349  1.00  0.00           C  
HETATM    7 CL   UNL     1       8.503   1.082   0.719  1.00  0.00          Cl  
HETATM    8  C   UNL     1       5.937   1.689   0.100  1.00  0.00           C  
HETATM    9  C   UNL     1       4.628   1.364  -0.193  1.00  0.00           C  
HETATM   10  C   UNL     1       4.225   0.037  -0.245  1.00  0.00           C  
HETATM   11  C   UNL     1       2.786  -0.251  -0.580  1.00  0.00           C  
HETATM   12  C   UNL     1       1.916  -0.045   0.664  1.00  0.00           C  
HETATM   13  C   UNL     1       2.311   0.706  -1.677  1.00  0.00           C  
HETATM   14  O   UNL     1       1.031   0.278  -2.146  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.067   0.701  -1.466  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.965   1.556  -2.079  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.100   1.984  -1.417  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.340   1.554  -0.124  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.435   0.711   0.502  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.287   0.270  -0.152  1.00  0.00           C  
HETATM   21  N   UNL     1       0.603  -0.569   0.462  1.00  0.00           N  
HETATM   22  C   UNL     1       0.188  -1.806   1.037  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.179  -2.245   0.509  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.262  -3.773   0.516  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.666  -4.203   0.947  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.680  -3.648  -0.020  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.605  -2.821   0.401  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.619  -2.271  -0.568  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.816  -0.832  -0.293  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.148  -0.255  -0.092  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.683  -0.072  -0.238  1.00  0.00           C  
HETATM   32  O   UNL     1      -3.588  -0.591  -0.296  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.820   1.423  -0.104  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.584   1.992   0.601  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.658   3.497   0.606  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.297   4.074  -0.242  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.014   4.198   1.553  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.543   1.514   1.947  1.00  0.00           O  
HETATM   39  H   UNL     1       3.144  -1.818  -2.018  1.00  0.00           H  
HETATM   40  H   UNL     1       1.576  -1.934  -1.178  1.00  0.00           H  
HETATM   41  H   UNL     1       2.875  -2.371   0.972  1.00  0.00           H  
HETATM   42  H   UNL     1       3.023  -3.656  -0.253  1.00  0.00           H  
HETATM   43  H   UNL     1       5.211  -2.925   0.828  1.00  0.00           H  
HETATM   44  H   UNL     1       5.180  -2.867  -0.947  1.00  0.00           H  
HETATM   45  H   UNL     1       7.170  -1.420   0.498  1.00  0.00           H  
HETATM   46  H   UNL     1       6.243   2.724   0.136  1.00  0.00           H  
HETATM   47  H   UNL     1       3.912   2.149  -0.385  1.00  0.00           H  
HETATM   48  H   UNL     1       2.377  -0.551   1.512  1.00  0.00           H  
HETATM   49  H   UNL     1       1.846   1.022   0.879  1.00  0.00           H  
HETATM   50  H   UNL     1       2.232   1.715  -1.273  1.00  0.00           H  
HETATM   51  H   UNL     1       3.023   0.698  -2.503  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.776   1.893  -3.088  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.795   2.651  -1.905  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.624   0.390   1.515  1.00  0.00           H  
HETATM   55  H   UNL     1       0.924  -2.573   0.800  1.00  0.00           H  
HETATM   56  H   UNL     1       0.131  -1.693   2.120  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.963  -1.836   1.146  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.310  -1.879  -0.509  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.056  -4.153  -0.485  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.528  -4.174   1.215  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.727  -5.291   0.953  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.871  -3.822   1.947  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.644  -3.933  -1.061  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.641  -2.536   1.441  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.256  -2.401  -1.588  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.564  -2.799  -0.446  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.404  -0.294   0.966  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.149   0.782  -0.428  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.880  -0.824  -0.665  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.910   1.868  -1.095  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.711   1.654   0.480  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.091   5.161   1.515  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.787   1.837   2.456  1.00  0.00           H  
CONECT    1   11    2   39   40                                       
CONECT    2    3    1   41   42                                       
CONECT    3    4    2   43   44                                       
CONECT    4    5    5   10    3                                       
CONECT    5    6    4    4   45                                       
CONECT    6    7    8    8    5                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   46                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9    4   11                                       
CONECT   11   13   10    1   12                                       
CONECT   12   11   21   48   49                                       
CONECT   13   14   11   50   51                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   52                                       
CONECT   17   16   18   18   53                                       
CONECT   18   17   17   19   34                                       
CONECT   19   20   20   18   54                                       
CONECT   20   15   21   19   19                                       
CONECT   21   12   20   22                                            
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   25   59   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   27   27   63                                       
CONECT   27   26   26   28   64                                       
CONECT   28   29   27   65   66                                       
CONECT   29   31   30   28                                            
CONECT   30   29   67   68   69                                       
CONECT   31   32   32   33   29                                       
CONECT   32   31   31                                                 
CONECT   33   34   31   70   71                                       
CONECT   34   18   38   35   33                                       
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   72                                                 
CONECT   38   34   73                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
