COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.682   0.658   1.839  1.00  0.00           C  
HETATM    2  O   UNL     1       1.686   1.163   2.941  1.00  0.00           O  
HETATM    3 CL   UNL     1       7.086   4.054  -0.055  1.00  0.00          Cl  
HETATM    4  C   UNL     1       6.353   2.563  -0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       5.041   2.287  -0.216  1.00  0.00           C  
HETATM    6  C   UNL     1       7.079   1.655  -1.310  1.00  0.00           C  
HETATM    7  C   UNL     1       6.498   0.469  -1.713  1.00  0.00           C  
HETATM    8  C   UNL     1       5.184   0.188  -1.365  1.00  0.00           C  
HETATM    9  O   UNL     1       4.610  -0.979  -1.761  1.00  0.00           O  
HETATM   10  C   UNL     1       5.377  -1.817  -2.628  1.00  0.00           C  
HETATM   11  C   UNL     1       4.456   1.102  -0.618  1.00  0.00           C  
HETATM   12  C   UNL     1       3.029   0.799  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1       2.985   0.262   1.193  1.00  0.00           C  
HETATM   14  C   UNL     1       3.092  -1.266   1.170  1.00  0.00           C  
HETATM   15  N   UNL     1       2.348  -1.783   0.016  1.00  0.00           N  
HETATM   16  C   UNL     1       0.998  -1.528  -0.105  1.00  0.00           C  
HETATM   17  N   UNL     1       0.152  -2.502  -0.169  1.00  0.00           N  
HETATM   18  O   UNL     1       0.609  -3.841  -0.117  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.383  -4.767  -0.195  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.999  -5.225   0.961  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.010  -6.162   0.878  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.409  -6.644  -0.355  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.797  -6.189  -1.508  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.785  -5.252  -1.431  1.00  0.00           C  
HETATM   25  C   UNL     1       0.520  -0.096  -0.160  1.00  0.00           C  
HETATM   26  N   UNL     1       0.514   0.450   1.205  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.652   0.747   1.812  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.658   1.111   2.972  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.812   0.640   1.134  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.068   1.062   1.759  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.627  -0.084   2.604  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.674  -0.373   3.766  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.063   1.429   0.689  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.884   2.525   0.863  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.804   2.868  -0.120  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.631   3.970   0.053  1.00  0.00           N  
HETATM   37  C   UNL     1      -4.144   0.668  -0.466  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.050   0.992  -1.452  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.893   2.095  -1.289  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.863   2.448  -2.339  1.00  0.00           C  
HETATM   41  O   UNL     1      -7.521   3.465  -2.241  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.022   1.643  -3.409  1.00  0.00           O  
HETATM   43  H   UNL     1       4.475   2.999   0.366  1.00  0.00           H  
HETATM   44  H   UNL     1       8.102   1.874  -1.580  1.00  0.00           H  
HETATM   45  H   UNL     1       7.065  -0.239  -2.299  1.00  0.00           H  
HETATM   46  H   UNL     1       5.606  -1.277  -3.546  1.00  0.00           H  
HETATM   47  H   UNL     1       6.305  -2.101  -2.132  1.00  0.00           H  
HETATM   48  H   UNL     1       4.804  -2.713  -2.866  1.00  0.00           H  
HETATM   49  H   UNL     1       2.435   1.711  -0.304  1.00  0.00           H  
HETATM   50  H   UNL     1       2.623   0.052  -0.920  1.00  0.00           H  
HETATM   51  H   UNL     1       3.815   0.677   1.764  1.00  0.00           H  
HETATM   52  H   UNL     1       4.139  -1.557   1.087  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.688  -4.849   1.925  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.490  -6.518   1.778  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.200  -7.377  -0.417  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.110  -6.567  -2.470  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.310  -4.893  -2.333  1.00  0.00           H  
HETATM   58  H   UNL     1       1.191   0.489  -0.788  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.489  -0.064  -0.571  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.815   0.284   0.231  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.884   1.927   2.396  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.604   0.198   2.997  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.727  -0.976   1.986  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.697  -0.655   3.372  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.573   0.519   4.384  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.072  -1.190   4.368  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.812   3.115   1.764  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.478   4.580   0.791  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.361   4.130  -0.565  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.494  -0.185  -0.594  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.108   0.395  -2.351  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.670   1.917  -4.072  1.00  0.00           H  
HETATM   73  H   UNL     1       2.671  -1.675   2.089  1.00  0.00           H  
HETATM   74  H   UNL     1       2.805  -2.305  -0.661  1.00  0.00           H  
CONECT    1   26    2    2   13                                       
CONECT    2    1    1                                                 
CONECT    3    4                                                      
CONECT    4    5    5    6    3                                       
CONECT    5   11    4    4   43                                       
CONECT    6    7    7    4   44                                       
CONECT    7    8    6    6   45                                       
CONECT    8    9   11   11    7                                       
CONECT    9   10    8                                                 
CONECT   10    9   46   47   48                                       
CONECT   11   12    8    8    5                                       
CONECT   12   13   11   49   50                                       
CONECT   13    1   14   12   51                                       
CONECT   14   15   13   52   73                                       
CONECT   15   16   14   74                                            
CONECT   16   17   17   25   15                                       
CONECT   17   18   16   16                                            
CONECT   18   19   17                                                 
CONECT   19   20   20   24   18                                       
CONECT   20   21   19   19   53                                       
CONECT   21   22   22   20   54                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   19   57                                       
CONECT   25   16   26   58   59                                       
CONECT   26   27   25    1                                            
CONECT   27   28   28   29   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   60                                            
CONECT   30   31   33   29   61                                       
CONECT   31   30   32   62   63                                       
CONECT   32   31   64   65   66                                       
CONECT   33   30   37   37   34                                       
CONECT   34   33   35   35   67                                       
CONECT   35   34   34   39   36                                       
CONECT   36   35   68   69                                            
CONECT   37   33   33   38   70                                       
CONECT   38   37   39   39   71                                       
CONECT   39   38   38   35   40                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   72                                                 
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   42                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
