COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.008   1.307  -0.079  1.00  0.00           C  
HETATM    2  C   UNL     1       9.212   1.945   0.156  1.00  0.00           C  
HETATM    3 CL   UNL     1       9.229   3.559   0.794  1.00  0.00          Cl  
HETATM    4  C   UNL     1      10.404   1.297  -0.117  1.00  0.00           C  
HETATM    5  C   UNL     1      10.395   0.011  -0.626  1.00  0.00           C  
HETATM    6  C   UNL     1       9.195  -0.631  -0.863  1.00  0.00           C  
HETATM    7  C   UNL     1       7.997   0.014  -0.585  1.00  0.00           C  
HETATM    8  N   UNL     1       6.782  -0.633  -0.822  1.00  0.00           N  
HETATM    9  C   UNL     1       6.719  -1.914  -0.105  1.00  0.00           C  
HETATM   10  C   UNL     1       5.410  -2.628  -0.455  1.00  0.00           C  
HETATM   11  C   UNL     1       5.647   0.227  -0.460  1.00  0.00           C  
HETATM   12  C   UNL     1       4.338  -0.486  -0.809  1.00  0.00           C  
HETATM   13  N   UNL     1       4.275  -1.768  -0.092  1.00  0.00           N  
HETATM   14  C   UNL     1       2.998  -2.449  -0.342  1.00  0.00           C  
HETATM   15  C   UNL     1       1.857  -1.635   0.272  1.00  0.00           C  
HETATM   16  C   UNL     1       0.527  -2.344   0.012  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.566  -1.565   0.600  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.837  -2.000   0.494  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.077  -3.036  -0.089  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.961  -1.198   1.099  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.291  -1.908   0.839  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.427  -1.109   1.485  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.992   0.195   0.466  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.113   1.018   1.108  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.373   0.273   0.989  1.00  0.00           N  
HETATM   26  C   UNL     1      -6.495   0.866   0.419  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.577   0.149   0.222  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.716   0.726  -0.344  1.00  0.00           N  
HETATM   29  C   UNL     1      -9.942   0.258  -0.660  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.436  -1.151  -0.458  1.00  0.00           C  
HETATM   31  N   UNL     1     -10.626   1.251  -1.174  1.00  0.00           N  
HETATM   32  N   UNL     1      -9.906   2.318  -1.202  1.00  0.00           N  
HETATM   33  C   UNL     1      -8.711   2.052  -0.700  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.550   2.819  -0.488  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.458   2.229   0.065  1.00  0.00           C  
HETATM   36  H   UNL     1       7.078   1.813   0.135  1.00  0.00           H  
HETATM   37  H   UNL     1      11.343   1.798   0.066  1.00  0.00           H  
HETATM   38  H   UNL     1      11.327  -0.490  -0.842  1.00  0.00           H  
HETATM   39  H   UNL     1       9.189  -1.635  -1.260  1.00  0.00           H  
HETATM   40  H   UNL     1       7.563  -2.538  -0.400  1.00  0.00           H  
HETATM   41  H   UNL     1       6.759  -1.733   0.968  1.00  0.00           H  
HETATM   42  H   UNL     1       5.383  -2.834  -1.525  1.00  0.00           H  
HETATM   43  H   UNL     1       5.348  -3.565   0.098  1.00  0.00           H  
HETATM   44  H   UNL     1       5.674   0.433   0.610  1.00  0.00           H  
HETATM   45  H   UNL     1       5.709   1.164  -1.013  1.00  0.00           H  
HETATM   46  H   UNL     1       3.494   0.137  -0.514  1.00  0.00           H  
HETATM   47  H   UNL     1       4.298  -0.668  -1.883  1.00  0.00           H  
HETATM   48  H   UNL     1       2.840  -2.542  -1.416  1.00  0.00           H  
HETATM   49  H   UNL     1       3.020  -3.441   0.109  1.00  0.00           H  
HETATM   50  H   UNL     1       2.015  -1.542   1.347  1.00  0.00           H  
HETATM   51  H   UNL     1       1.834  -0.643  -0.179  1.00  0.00           H  
HETATM   52  H   UNL     1       0.369  -2.437  -1.063  1.00  0.00           H  
HETATM   53  H   UNL     1       0.549  -3.336   0.463  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.374  -0.736   1.066  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.803  -1.105   2.173  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.461  -1.979  -0.236  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.260  -2.909   1.269  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.385  -1.555   1.219  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.307  -1.114   2.568  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.035   0.691   0.631  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.174   0.104  -0.605  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.885   1.187   2.160  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.202   1.976   0.595  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.893  -1.238   0.527  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.174  -1.391  -1.224  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.598  -1.844  -0.533  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.528   3.864  -0.761  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.562   2.806   0.237  1.00  0.00           H  
CONECT    1    7    7    2   36                                       
CONECT    2    4    4    1    3                                       
CONECT    3    2                                                      
CONECT    4    5    2    2   37                                       
CONECT    5    6    6    4   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    1    1                                       
CONECT    8    9    7   11                                            
CONECT    9   10    8   40   41                                       
CONECT   10    9   13   42   43                                       
CONECT   11    8   12   44   45                                       
CONECT   12   13   11   46   47                                       
CONECT   13   10   14   12                                            
CONECT   14   15   13   48   49                                       
CONECT   15   16   14   50   51                                       
CONECT   16   17   15   52   53                                       
CONECT   17   18   16   54                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   23   18   55                                       
CONECT   21   22   20   56   57                                       
CONECT   22   25   21   58   59                                       
CONECT   23   24   20   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   22   24                                            
CONECT   26   27   27   35   25                                       
CONECT   27   28   26   26                                            
CONECT   28   29   33   27                                            
CONECT   29   30   31   31   28                                       
CONECT   30   29   64   65   66                                       
CONECT   31   29   29   32                                            
CONECT   32   31   33   33                                            
CONECT   33   32   32   28   34                                       
CONECT   34   33   35   35   67                                       
CONECT   35   34   34   26   68                                       
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
