COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.102   4.392  -0.305  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.815   3.017  -0.317  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.493   2.603  -0.103  1.00  0.00           C  
HETATM    4  N   UNL     1       0.435   3.534   0.102  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.104   5.249  -0.092  1.00  0.00           N  
HETATM    6  C   UNL     1       0.122   4.817   0.105  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.029   3.304  -0.692  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.089   2.334  -0.571  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.306   0.871  -0.676  1.00  0.00           C  
HETATM   10  C   UNL     1       1.181   0.869  -0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       1.517  -0.362   0.520  1.00  0.00           C  
HETATM   12  C   UNL     1       2.841  -0.748   0.590  1.00  0.00           C  
HETATM   13  C   UNL     1       3.836   0.092   0.114  1.00  0.00           C  
HETATM   14  C   UNL     1       3.502   1.323  -0.434  1.00  0.00           C  
HETATM   15  C   UNL     1       2.178   1.711  -0.506  1.00  0.00           C  
HETATM   16  C   UNL     1       5.411  -1.569   0.760  1.00  0.00           C  
HETATM   17  C   UNL     1       6.897  -1.818   0.753  1.00  0.00           C  
HETATM   18  C   UNL     1       7.748  -0.861   0.233  1.00  0.00           C  
HETATM   19  C   UNL     1       9.113  -1.099   0.232  1.00  0.00           C  
HETATM   20  C   UNL     1       9.574  -2.298   0.755  1.00  0.00           C  
HETATM   21  C   UNL     1       8.664  -3.208   1.257  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.327   0.262   0.053  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.526  -1.104  -0.048  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.706  -1.867  -0.878  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.692  -1.260  -1.602  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.494   0.103  -1.508  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.025  -3.930  -1.845  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.395  -5.415  -1.826  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.014  -1.143   1.811  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.194  -1.740   2.533  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.514  -0.900   3.770  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.444   4.532  -0.539  1.00  0.00           N  
HETATM   33  N   UNL     1      -0.161   1.259  -0.106  1.00  0.00           N  
HETATM   34  N   UNL     1       7.371  -2.945   1.247  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.550  -1.719   0.684  1.00  0.00           N  
HETATM   36  O   UNL     1       5.140  -0.290   0.184  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.901  -3.210  -0.976  1.00  0.00           O  
HETATM   38  O   UNL     1      -4.702  -5.587  -2.379  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.481  -0.143   2.244  1.00  0.00           O  
HETATM   40 CL   UNL     1       4.748   2.374  -1.031  1.00  0.00          Cl  
HETATM   41  H   UNL     1       0.906   5.541   0.275  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.078   3.134  -0.884  1.00  0.00           H  
HETATM   43  H   UNL     1       0.743  -1.016   0.892  1.00  0.00           H  
HETATM   44  H   UNL     1       3.102  -1.706   1.018  1.00  0.00           H  
HETATM   45  H   UNL     1       1.917   2.668  -0.933  1.00  0.00           H  
HETATM   46  H   UNL     1       4.910  -2.343   0.179  1.00  0.00           H  
HETATM   47  H   UNL     1       5.044  -1.590   1.786  1.00  0.00           H  
HETATM   48  H   UNL     1       7.354   0.062  -0.167  1.00  0.00           H  
HETATM   49  H   UNL     1       9.802  -0.370  -0.168  1.00  0.00           H  
HETATM   50  H   UNL     1      10.632  -2.518   0.770  1.00  0.00           H  
HETATM   51  H   UNL     1       9.014  -4.144   1.667  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.960   0.856   0.696  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.059  -1.855  -2.243  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.706   0.573  -2.077  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.996  -3.808  -1.506  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.121  -3.545  -2.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.673  -5.977  -2.418  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.385  -5.779  -0.799  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.058  -1.752   1.869  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.955  -2.759   2.837  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.367  -1.332   4.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.649  -0.888   4.435  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.752   0.119   3.466  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.914   5.379  -0.584  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.859   0.587  -0.160  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.926  -2.560   0.380  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.003  -6.506  -2.399  1.00  0.00           H  
CONECT    1    5   32    2    2                                       
CONECT    2    1    1    3    8                                       
CONECT    3    4    4    2   33                                       
CONECT    4    6    3    3                                            
CONECT    5    6    6    1                                            
CONECT    6    5    5    4   41                                       
CONECT    7   32    8    8   42                                       
CONECT    8    7    7    2    9                                       
CONECT    9   22    8   26   26                                       
CONECT   10   11   33   15   15                                       
CONECT   11   12   12   10   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   36   14   14                                       
CONECT   14   13   13   15   40                                       
CONECT   15   10   10   14   45                                       
CONECT   16   17   36   46   47                                       
CONECT   17   34   34   18   16                                       
CONECT   18   19   19   17   48                                       
CONECT   19   20   18   18   49                                       
CONECT   20   21   21   19   50                                       
CONECT   21   20   20   34   51                                       
CONECT   22   23   23    9   52                                       
CONECT   23   35   22   22   24                                       
CONECT   24   23   37   25   25                                       
CONECT   25   24   24   26   53                                       
CONECT   26    9    9   25   54                                       
CONECT   27   28   37   55   56                                       
CONECT   28   38   27   57   58                                       
CONECT   29   30   39   39   35                                       
CONECT   30   31   29   59   60                                       
CONECT   31   30   61   62   63                                       
CONECT   32    1    7   64                                            
CONECT   33    3   10   65                                            
CONECT   34   21   17   17                                            
CONECT   35   29   23   66                                            
CONECT   36   16   13                                                 
CONECT   37   24   27                                                 
CONECT   38   28   67                                                 
CONECT   39   29   29                                                 
CONECT   40   14                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
