COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.515  -2.563   0.847  1.00  0.00           C  
HETATM    2  C   UNL     1       6.965  -3.647   0.230  1.00  0.00           C  
HETATM    3  C   UNL     1       5.808  -3.526  -0.537  1.00  0.00           C  
HETATM    4  C   UNL     1       5.196  -2.319  -0.691  1.00  0.00           C  
HETATM    5  C   UNL     1       5.737  -1.184  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       6.911  -1.302   0.710  1.00  0.00           C  
HETATM    7  C   UNL     1       6.879   0.978   1.193  1.00  0.00           C  
HETATM    8  C   UNL     1       5.739   1.169   0.434  1.00  0.00           C  
HETATM    9  C   UNL     1       5.142   0.090  -0.208  1.00  0.00           C  
HETATM   10  C   UNL     1       5.112   2.530   0.247  1.00  0.00           C  
HETATM   11  C   UNL     1       5.516   3.445   1.405  1.00  0.00           C  
HETATM   12  C   UNL     1       7.040   3.463   1.503  1.00  0.00           C  
HETATM   13  C   UNL     1       7.554   2.103   1.936  1.00  0.00           C  
HETATM   14  C   UNL     1       5.672   3.125  -1.055  1.00  0.00           C  
HETATM   15  C   UNL     1       7.202   3.083  -0.975  1.00  0.00           C  
HETATM   16  C   UNL     1       7.796   3.635  -2.272  1.00  0.00           C  
HETATM   17  C   UNL     1       2.789   0.083  -0.138  1.00  0.00           C  
HETATM   18  C   UNL     1       1.546   0.151  -1.027  1.00  0.00           C  
HETATM   19  C   UNL     1       0.294  -0.034  -0.168  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.922  -0.199  -1.104  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.338  -0.271  -1.411  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.571  -0.453  -0.565  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.193   0.648  -0.006  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.328   0.482   0.772  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.838  -0.794   0.989  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.210  -1.893   0.426  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.082  -1.721  -0.354  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.360   2.843   1.058  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.697  -0.266  -0.228  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.445  -0.081  -1.087  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.202  -0.150  -0.198  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.950   0.035  -1.057  1.00  0.00           C  
HETATM   33  C   UNL     1       7.672   3.934   0.204  1.00  0.00           C  
HETATM   34  N   UNL     1       7.425  -0.222   1.302  1.00  0.00           N  
HETATM   35  N   UNL     1       3.992   0.260  -0.963  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.148  -0.337  -0.560  1.00  0.00           N  
HETATM   37  O   UNL     1      -5.805  -0.020  -2.297  1.00  0.00           O  
HETATM   38  O   UNL     1     -12.951  -0.962   1.753  1.00  0.00           O  
HETATM   39  O   UNL     1     -11.940   1.564   1.323  1.00  0.00           O  
HETATM   40 CL   UNL     1       7.718  -5.202   0.403  1.00  0.00          Cl  
HETATM   41  H   UNL     1       8.410  -2.674   1.442  1.00  0.00           H  
HETATM   42  H   UNL     1       5.392  -4.400  -1.016  1.00  0.00           H  
HETATM   43  H   UNL     1       4.299  -2.237  -1.287  1.00  0.00           H  
HETATM   44  H   UNL     1       4.027   2.440   0.199  1.00  0.00           H  
HETATM   45  H   UNL     1       5.149   4.455   1.219  1.00  0.00           H  
HETATM   46  H   UNL     1       5.094   3.066   2.336  1.00  0.00           H  
HETATM   47  H   UNL     1       7.315   4.184   2.273  1.00  0.00           H  
HETATM   48  H   UNL     1       7.373   1.980   3.004  1.00  0.00           H  
HETATM   49  H   UNL     1       8.627   2.055   1.752  1.00  0.00           H  
HETATM   50  H   UNL     1       5.331   2.536  -1.906  1.00  0.00           H  
HETATM   51  H   UNL     1       5.337   4.157  -1.162  1.00  0.00           H  
HETATM   52  H   UNL     1       7.530   2.053  -0.834  1.00  0.00           H  
HETATM   53  H   UNL     1       7.468   4.665  -2.413  1.00  0.00           H  
HETATM   54  H   UNL     1       8.884   3.604  -2.215  1.00  0.00           H  
HETATM   55  H   UNL     1       7.459   3.029  -3.113  1.00  0.00           H  
HETATM   56  H   UNL     1       2.743   0.872   0.612  1.00  0.00           H  
HETATM   57  H   UNL     1       2.829  -0.887   0.357  1.00  0.00           H  
HETATM   58  H   UNL     1       1.507   1.122  -1.523  1.00  0.00           H  
HETATM   59  H   UNL     1       1.592  -0.638  -1.778  1.00  0.00           H  
HETATM   60  H   UNL     1       0.333  -1.004   0.327  1.00  0.00           H  
HETATM   61  H   UNL     1       0.248   0.756   0.582  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.292  -1.060  -2.161  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.377   0.699  -1.907  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.795   1.637  -0.176  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.604  -2.885   0.594  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.596  -2.578  -0.796  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.945   3.617   1.555  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.337   2.863   1.434  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.356   3.024  -0.017  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.743   0.523   0.522  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.658  -1.237   0.268  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.399  -0.871  -1.837  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.484   0.889  -1.582  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.248   0.639   0.552  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.162  -1.120   0.298  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.989   1.005  -1.553  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.904  -0.754  -1.807  1.00  0.00           H  
HETATM   78  H   UNL     1       7.396   4.973   0.027  1.00  0.00           H  
HETATM   79  H   UNL     1       8.757   3.862   0.287  1.00  0.00           H  
HETATM   80  H   UNL     1       3.988   1.161  -1.419  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.241  -0.480   0.395  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.779  -0.931   1.254  1.00  0.00           H  
CONECT    1    2    2    6   41                                       
CONECT    2    1    1    3   40                                       
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5   43                                       
CONECT    5    4    6    6    9                                       
CONECT    6    1    5    5   34                                       
CONECT    7    8   13   34   34                                       
CONECT    8    7    9    9   10                                       
CONECT    9    5    8    8   35                                       
CONECT   10    8   11   14   44                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   33   47                                       
CONECT   13    7   12   48   49                                       
CONECT   14   10   15   50   51                                       
CONECT   15   14   16   33   52                                       
CONECT   16   15   53   54   55                                       
CONECT   17   18   35   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   32   60   61                                       
CONECT   20   29   36   37   37                                       
CONECT   21   22   36   62   63                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   64                                       
CONECT   24   23   25   25   39                                       
CONECT   25   24   24   26   38                                       
CONECT   26   25   27   27   65                                       
CONECT   27   22   26   26   66                                       
CONECT   28   39   67   68   69                                       
CONECT   29   20   30   70   71                                       
CONECT   30   29   31   72   73                                       
CONECT   31   30   32   74   75                                       
CONECT   32   19   31   76   77                                       
CONECT   33   12   15   78   79                                       
CONECT   34    6    7    7                                            
CONECT   35    9   17   80                                            
CONECT   36   20   21   81                                            
CONECT   37   20   20                                                 
CONECT   38   25   82                                                 
CONECT   39   24   28                                                 
CONECT   40    2                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   38                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
