COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.691   0.444  -0.150  1.00  0.00           C  
HETATM    2  C   UNL     1       8.411  -0.899   0.073  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.043  -0.442   0.004  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.252  -1.798   0.235  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.546  -2.283   0.311  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.601  -1.389   0.152  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.319  -0.039  -0.078  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.432   0.925  -0.248  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.393   0.717  -1.237  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.427   1.617  -1.391  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.512   2.727  -0.567  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.561   2.940   0.416  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.525   2.042   0.583  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.472  -2.384  -0.870  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.896  -2.862  -0.913  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.155  -1.798   1.236  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.649  -1.682   1.479  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.848  -3.338   0.438  1.00  0.00           C  
HETATM   19  C   UNL     1       6.135  -0.494   0.018  1.00  0.00           C  
HETATM   20  C   UNL     1       6.346   0.860  -0.212  1.00  0.00           C  
HETATM   21  C   UNL     1       7.643   1.340  -0.292  1.00  0.00           C  
HETATM   22  C   UNL     1       3.700  -0.074  -0.055  1.00  0.00           C  
HETATM   23  C   UNL     1       2.395  -0.861   0.078  1.00  0.00           C  
HETATM   24  N   UNL     1       1.257   0.049  -0.078  1.00  0.00           N  
HETATM   25  N   UNL     1      10.092   0.913  -0.229  1.00  0.00           N1+
HETATM   26  N   UNL     1       9.456  -1.804   0.217  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.063   0.387  -0.143  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.926  -1.836   0.220  1.00  0.00           N  
HETATM   29  N   UNL     1       7.159  -1.325   0.150  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.415  -3.017   0.452  1.00  0.00           N  
HETATM   31  N   UNL     1       4.837  -0.984   0.101  1.00  0.00           N  
HETATM   32  O   UNL     1      10.402   1.990   0.249  1.00  0.00           O1-
HETATM   33  O   UNL     1      10.936   0.223  -0.772  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.788  -2.506  -1.864  1.00  0.00           O  
HETATM   35 CL   UNL     1      -2.336   2.306   1.821  1.00  0.00          Cl  
HETATM   36 CL   UNL     1      -6.816   3.855  -0.768  1.00  0.00          Cl  
HETATM   37  H   UNL     1       0.588  -2.466   0.354  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.733  -3.331   0.489  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.328  -0.148  -1.880  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.171   1.457  -2.157  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.632   3.807   1.056  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.505  -2.135  -1.451  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.940  -3.821  -1.428  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.676  -1.860   2.191  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.507  -0.927   0.683  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.426  -0.705   1.908  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.334  -2.462   2.173  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.014  -4.232  -0.163  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.191  -3.516   1.457  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.403  -2.503   0.009  1.00  0.00           H  
HETATM   51  H   UNL     1       5.508   1.533  -0.319  1.00  0.00           H  
HETATM   52  H   UNL     1       7.834   2.389  -0.462  1.00  0.00           H  
HETATM   53  H   UNL     1       3.742   0.396  -1.038  1.00  0.00           H  
HETATM   54  H   UNL     1       3.741   0.695   0.717  1.00  0.00           H  
HETATM   55  H   UNL     1       2.354  -1.630  -0.694  1.00  0.00           H  
HETATM   56  H   UNL     1       2.352  -1.331   1.061  1.00  0.00           H  
HETATM   57  H   UNL     1       1.410   0.993  -0.239  1.00  0.00           H  
HETATM   58  H   UNL     1      10.369  -1.485   0.281  1.00  0.00           H  
HETATM   59  H   UNL     1       9.271  -2.756   0.254  1.00  0.00           H  
HETATM   60  H   UNL     1       4.684  -1.928   0.261  1.00  0.00           H  
CONECT    1    2    2   21   25                                       
CONECT    2   29   26    1    1                                       
CONECT    3   24    4    4   27                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6    6   38                                       
CONECT    6    5    5    7   28                                       
CONECT    7   27   27    6    8                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   12   36                                       
CONECT   12   13   13   11   41                                       
CONECT   13    8   35   12   12                                       
CONECT   14   28   34   34   15                                       
CONECT   15   14   30   42   43                                       
CONECT   16   17   30   44   45                                       
CONECT   17   28   16   46   47                                       
CONECT   18   30   48   49   50                                       
CONECT   19   31   29   29   20                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20    1   52                                       
CONECT   22   31   23   53   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23    3   57                                            
CONECT   25    1   33   33   32                                       
CONECT   26    2   58   59                                            
CONECT   27    3    7    7                                            
CONECT   28    6   17   14                                            
CONECT   29   19   19    2                                            
CONECT   30   16   15   18                                            
CONECT   31   22   19   60                                            
CONECT   32   25                                                      
CONECT   33   25   25                                                 
CONECT   34   14   14                                                 
CONECT   35   13                                                      
CONECT   36   11                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
