COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.313  -0.500   0.136  1.00  0.00           C  
HETATM    2  C   UNL     1       0.972   3.416   0.785  1.00  0.00           C  
HETATM    3  C   UNL     1       0.453   1.028   0.512  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.400   2.599   0.859  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.744   3.818   0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.780   4.621  -0.527  1.00  0.00           C  
HETATM    7  C   UNL     1       0.695   4.343  -0.398  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.087   4.124  -0.132  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.465   5.231  -0.864  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.791  -0.300   0.812  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.219   1.427   0.382  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.128  -1.241   0.030  1.00  0.00           C  
HETATM   13 CL   UNL     1       7.186   1.269   0.237  1.00  0.00          Cl  
HETATM   14  C   UNL     1       5.565  -2.358  -0.201  1.00  0.00           C  
HETATM   15  C   UNL     1       6.472  -1.323  -0.088  1.00  0.00           C  
HETATM   16  C   UNL     1       6.033  -0.021   0.097  1.00  0.00           C  
HETATM   17  C   UNL     1       4.683   0.254   0.171  1.00  0.00           C  
HETATM   18  C   UNL     1       3.754  -0.785   0.059  1.00  0.00           C  
HETATM   19  C   UNL     1       4.205  -2.102  -0.129  1.00  0.00           C  
HETATM   20  N   UNL     1       3.285  -3.150  -0.244  1.00  0.00           N  
HETATM   21  C   UNL     1       3.272  -4.133  -1.171  1.00  0.00           C  
HETATM   22  N   UNL     1       2.248  -4.901  -0.908  1.00  0.00           N  
HETATM   23  N   UNL     1       1.612  -4.472   0.122  1.00  0.00           N  
HETATM   24  N   UNL     1       2.179  -3.410   0.585  1.00  0.00           N  
HETATM   25  C   UNL     1       1.887   0.743   0.441  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.353   0.124   0.393  1.00  0.00           O  
HETATM   27  N   UNL     1       0.026   2.290   0.710  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.498   6.042  -1.428  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.163   5.738  -1.259  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.052   0.986  -0.735  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.103  -0.526   1.217  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.749  -1.683   0.844  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.087  -2.631   0.059  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.769  -2.399  -0.346  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.137   0.870   1.196  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.776  -3.871  -0.342  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.136  -4.784  -1.099  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.922  -4.071   0.011  1.00  0.00           O  
HETATM   39  H   UNL     1       1.597  -1.285  -0.056  1.00  0.00           H  
HETATM   40  H   UNL     1       1.995   3.043   0.729  1.00  0.00           H  
HETATM   41  H   UNL     1       0.828   3.957   1.720  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.622   2.792   1.909  1.00  0.00           H  
HETATM   43  H   UNL     1       1.225   5.283  -0.249  1.00  0.00           H  
HETATM   44  H   UNL     1       1.052   3.872  -1.314  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.842   3.490   0.310  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.511   5.463  -0.996  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.110  -1.062  -0.282  1.00  0.00           H  
HETATM   48  H   UNL     1       5.916  -3.369  -0.350  1.00  0.00           H  
HETATM   49  H   UNL     1       7.531  -1.528  -0.144  1.00  0.00           H  
HETATM   50  H   UNL     1       4.345   1.269   0.317  1.00  0.00           H  
HETATM   51  H   UNL     1       3.977  -4.259  -1.980  1.00  0.00           H  
HETATM   52  H   UNL     1       2.603   1.528   0.633  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.787   6.912  -1.999  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.409   6.373  -1.700  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.614   0.206   1.824  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.768  -1.858   1.159  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.254  -3.129  -0.954  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.342   1.283   2.049  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.629  -5.581  -1.336  1.00  0.00           H  
CONECT    1   18   25   25   39                                       
CONECT    2    7   27   40   41                                       
CONECT    3   25   27   26   26                                       
CONECT    4   27    5   11   42                                       
CONECT    5    6    4    8    8                                       
CONECT    6    7   29   29    5                                       
CONECT    7    2    6   43   44                                       
CONECT    8    5    5    9   45                                       
CONECT    9   28   28    8   46                                       
CONECT   10   12   35   31   31                                       
CONECT   11   30   30    4   35                                       
CONECT   12   34   34   10   47                                       
CONECT   13   16                                                      
CONECT   14   19   19   15   48                                       
CONECT   15   14   16   16   49                                       
CONECT   16   15   15   17   13                                       
CONECT   17   18   18   16   50                                       
CONECT   18   19    1   17   17                                       
CONECT   19   20   14   14   18                                       
CONECT   20   21   24   19                                            
CONECT   21   22   22   20   51                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   20                                            
CONECT   25    1    1    3   52                                       
CONECT   26    3    3                                                 
CONECT   27    2    3    4                                            
CONECT   28   29    9    9   53                                       
CONECT   29    6    6   28   54                                       
CONECT   30   11   11                                                 
CONECT   31   10   10   32   55                                       
CONECT   32   33   33   31   56                                       
CONECT   33   34   36   32   32                                       
CONECT   34   12   12   33   57                                       
CONECT   35   11   10   58                                            
CONECT   36   38   38   33   37                                       
CONECT   37   36   59                                                 
CONECT   38   36   36                                                 
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   21                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   37                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
