COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.098  -0.454   0.216  1.00  0.00           C  
HETATM    2  C   UNL     1       4.757  -1.796   0.224  1.00  0.00           C  
HETATM    3  C   UNL     1       5.733  -2.764   0.068  1.00  0.00           C  
HETATM    4  C   UNL     1       7.053  -2.398  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       7.403  -1.047  -0.104  1.00  0.00           C  
HETATM    6  C   UNL     1       6.414  -0.075   0.053  1.00  0.00           C  
HETATM    7  C   UNL     1       8.816  -0.648  -0.278  1.00  0.00           C  
HETATM    8  C   UNL     1       9.185   0.026  -1.357  1.00  0.00           C  
HETATM    9  C   UNL     1       1.626   0.804   0.029  1.00  0.00           C  
HETATM   10  C   UNL     1       4.028   0.594   0.380  1.00  0.00           C  
HETATM   11  C   UNL     1       3.940   1.007   1.851  1.00  0.00           C  
HETATM   12  C   UNL     1       4.376   1.816  -0.472  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.696   1.120  -0.387  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.574   2.471  -0.685  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.694   3.280  -0.704  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.939   2.748  -0.428  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.067   1.396  -0.129  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.944   0.581  -0.114  1.00  0.00           C  
HETATM   19  C1* UNL     1      -4.460  -0.567   0.466  1.00  0.00           C  
HETATM   20  C2* UNL     1      -5.624  -0.794   1.457  1.00  0.00           C  
HETATM   21  C3* UNL     1      -6.259  -2.123   0.991  1.00  0.00           C  
HETATM   22  C4* UNL     1      -5.404  -2.542  -0.226  1.00  0.00           C  
HETATM   23  C5* UNL     1      -6.284  -3.184  -1.300  1.00  0.00           C  
HETATM   24  C   UNL     1       9.835  -1.007   0.772  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.326   0.858   0.152  1.00  0.00           N  
HETATM   26  N   UNL     1       2.739   0.048  -0.052  1.00  0.00           N  
HETATM   27  N   UNL     1       0.440   0.302  -0.368  1.00  0.00           N  
HETATM   28  O   UNL     1       1.692   1.939   0.460  1.00  0.00           O  
HETATM   29  O4* UNL     1      -4.831  -1.310  -0.715  1.00  0.00           O  
HETATM   30  O2* UNL     1      -5.128  -0.916   2.792  1.00  0.00           O  
HETATM   31  O3* UNL     1      -7.619  -1.919   0.601  1.00  0.00           O  
HETATM   32  O5* UNL     1      -5.462  -3.668  -2.363  1.00  0.00           O  
HETATM   33 CL   UNL     1      -4.344   3.768  -0.453  1.00  0.00          Cl  
HETATM   34  H   UNL     1       3.725  -2.087   0.352  1.00  0.00           H  
HETATM   35  H   UNL     1       5.460  -3.809   0.076  1.00  0.00           H  
HETATM   36  H   UNL     1       7.814  -3.155  -0.215  1.00  0.00           H  
HETATM   37  H   UNL     1       6.679   0.972   0.048  1.00  0.00           H  
HETATM   38  H   UNL     1      10.217   0.318  -1.485  1.00  0.00           H  
HETATM   39  H   UNL     1       8.455   0.284  -2.110  1.00  0.00           H  
HETATM   40  H   UNL     1       4.899   1.413   2.172  1.00  0.00           H  
HETATM   41  H   UNL     1       3.166   1.765   1.970  1.00  0.00           H  
HETATM   42  H   UNL     1       3.692   0.137   2.459  1.00  0.00           H  
HETATM   43  H   UNL     1       4.439   1.521  -1.520  1.00  0.00           H  
HETATM   44  H   UNL     1       3.602   2.574  -0.354  1.00  0.00           H  
HETATM   45  H   UNL     1       5.335   2.222  -0.151  1.00  0.00           H  
HETATM   46  H   UNL     1       0.398   2.890  -0.902  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.596   4.331  -0.936  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.041  -0.469   0.118  1.00  0.00           H  
HETATM   49  H1* UNL     1      -3.529  -0.952   0.881  1.00  0.00           H  
HETATM   50  H2* UNL     1      -6.347   0.019   1.389  1.00  0.00           H  
HETATM   51  H3* UNL     1      -6.195  -2.874   1.779  1.00  0.00           H  
HETATM   52  H4* UNL     1      -4.617  -3.230   0.083  1.00  0.00           H  
HETATM   53 H5*1 UNL     1      -6.842  -4.013  -0.865  1.00  0.00           H  
HETATM   54 H5*2 UNL     1      -6.982  -2.442  -1.689  1.00  0.00           H  
HETATM   55  H   UNL     1       9.891  -0.209   1.513  1.00  0.00           H  
HETATM   56  H   UNL     1       9.542  -1.936   1.261  1.00  0.00           H  
HETATM   57  H   UNL     1      10.810  -1.136   0.303  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.111   1.427   0.138  1.00  0.00           H  
HETATM   59  H   UNL     1       2.687  -0.857  -0.395  1.00  0.00           H  
HETATM   60  H   UNL     1       0.374  -0.626  -0.641  1.00  0.00           H  
HETATM   61  H2* UNL     1      -4.719  -0.110   3.134  1.00  0.00           H  
HETATM   62  H3* UNL     1      -8.188  -1.597   1.313  1.00  0.00           H  
HETATM   63  H5* UNL     1      -5.954  -4.088  -3.081  1.00  0.00           H  
CONECT    1   10    6    6    2                                       
CONECT    2    1    3    3   34                                       
CONECT    3    2    2    4   35                                       
CONECT    4    5    5    3   36                                       
CONECT    5    6    7    4    4                                       
CONECT    6    1    1    5   37                                       
CONECT    7   24    8    8    5                                       
CONECT    8    7    7   38   39                                       
CONECT    9   27   28   28   26                                       
CONECT   10   26   12    1   11                                       
CONECT   11   10   40   41   42                                       
CONECT   12   10   43   44   45                                       
CONECT   13   14   14   18   27                                       
CONECT   14   15   13   13   46                                       
CONECT   15   16   16   14   47                                       
CONECT   16   33   15   15   17                                       
CONECT   17   25   16   18   18                                       
CONECT   18   17   17   13   48                                       
CONECT   19   20   25   29   49                                       
CONECT   20   21   30   19   50                                       
CONECT   21   31   20   22   51                                       
CONECT   22   21   23   29   52                                       
CONECT   23   32   22   53   54                                       
CONECT   24    7   55   56   57                                       
CONECT   25   19   17   58                                            
CONECT   26    9   10   59                                            
CONECT   27   13    9   60                                            
CONECT   28    9    9                                                 
CONECT   29   19   22                                                 
CONECT   30   20   61                                                 
CONECT   31   21   62                                                 
CONECT   32   23   63                                                 
CONECT   33   16                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
