COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      19.910  25.712 -15.046  1.00  0.00           O  
HETATM    2  C   UNL     1      19.848  24.551 -14.405  1.00  0.00           C  
HETATM    3  C   UNL     1      18.468  24.224 -13.742  1.00  0.00           C  
HETATM    4  C   UNL     1      17.744  25.537 -13.325  1.00  0.00           C  
HETATM    5  C   UNL     1      18.279  25.984 -11.963  1.00  0.00           C  
HETATM    6  C   UNL     1      17.664  27.242 -11.452  1.00  0.00           C  
HETATM    7  C   UNL     1      18.115  27.772 -10.095  1.00  0.00           C  
HETATM    8  C   UNL     1      17.584  29.237  -9.697  1.00  0.00           C  
HETATM    9  N   UNL     1      16.123  29.236  -9.776  1.00  0.00           N  
HETATM   10  S   UNL     1      17.995  26.788  -8.648  1.00  0.00           S  
HETATM   11  C   UNL     1      18.517  28.175  -7.726  1.00  0.00           C  
HETATM   12  C   UNL     1      17.782  29.461  -8.135  1.00  0.00           C  
HETATM   13  N   UNL     1      16.420  29.488  -7.569  1.00  0.00           N  
HETATM   14  C   UNL     1      15.704  29.414  -8.594  1.00  0.00           C  
HETATM   15  O   UNL     1      14.383  29.404  -8.302  1.00  0.00           O  
HETATM   16  N   UNL     1      20.895  23.798 -14.207  1.00  0.00           N  
HETATM   17  C   UNL     1      22.153  24.063 -15.053  1.00  0.00           C  
HETATM   18  C   UNL     1      23.753  25.371 -15.578  1.00  0.00           C  
HETATM   19  N   UNL     1      24.817  26.423 -15.448  1.00  0.00           N  
HETATM   20  C   UNL     1      22.897  25.080 -14.204  1.00  0.00           C  
HETATM   21  C   UNL     1      23.773  27.589 -15.495  1.00  0.00           C  
HETATM   22  C   UNL     1      25.508  26.335 -14.288  1.00  0.00           C  
HETATM   23  C   UNL     1      26.523  27.187 -14.154  1.00  0.00           C  
HETATM   24  C   UNL     1      27.631  26.964 -14.884  1.00  0.00           C  
HETATM   25  C   UNL     1      28.852  26.957 -14.290  1.00  0.00           C  
HETATM   26  C   UNL     1      29.962  26.806 -15.061  1.00  0.00           C  
HETATM   27  C   UNL     1      29.900  26.639 -16.409  1.00  0.00           C  
HETATM   28  C   UNL     1      28.688  26.651 -17.010  1.00  0.00           C  
HETATM   29  N   UNL     1      27.578  26.777 -16.238  1.00  0.00           N  
HETATM   30 CU   UNL     1      25.830  26.854 -17.280  1.00  0.00          Cu  
HETATM   31  N   UNL     1      25.457  29.682 -18.229  1.00  0.00           N1+
HETATM   32  N   UNL     1      25.519  28.596 -17.889  1.00  0.00           N  
HETATM   33  N   UNL     1      25.389  30.782 -18.580  1.00  0.00           N1-
HETATM   34  N   UNL     1      24.047  26.982 -18.392  1.00  0.00           N  
HETATM   35  C   UNL     1      22.829  27.378 -17.952  1.00  0.00           C  
HETATM   36  C   UNL     1      22.548  27.725 -16.494  1.00  0.00           C  
HETATM   37  C   UNL     1      24.270  26.684 -19.705  1.00  0.00           C  
HETATM   38  C   UNL     1      23.257  26.736 -20.600  1.00  0.00           C  
HETATM   39  C   UNL     1      22.028  27.108 -20.161  1.00  0.00           C  
HETATM   40  C   UNL     1      21.816  27.438 -18.852  1.00  0.00           C  
HETATM   41  O   UNL     1      26.219  24.666 -17.841  1.00  0.00           O  
HETATM   42  H   UNL     1      17.841  23.676 -14.461  1.00  0.00           H  
HETATM   43  H   UNL     1      18.632  23.601 -12.850  1.00  0.00           H  
HETATM   44  H   UNL     1      17.938  26.320 -14.073  1.00  0.00           H  
HETATM   45  H   UNL     1      16.661  25.356 -13.256  1.00  0.00           H  
HETATM   46  H   UNL     1      18.083  25.183 -11.235  1.00  0.00           H  
HETATM   47  H   UNL     1      19.364  26.141 -12.052  1.00  0.00           H  
HETATM   48  H   UNL     1      17.870  28.029 -12.193  1.00  0.00           H  
HETATM   49  H   UNL     1      16.579  27.072 -11.390  1.00  0.00           H  
HETATM   50  H   UNL     1      19.201  27.909 -10.201  1.00  0.00           H  
HETATM   51  H   UNL     1      18.067  30.025 -10.294  1.00  0.00           H  
HETATM   52  H   UNL     1      15.567  29.118 -10.599  1.00  0.00           H  
HETATM   53  H   UNL     1      18.326  27.983  -6.660  1.00  0.00           H  
HETATM   54  H   UNL     1      19.596  28.319  -7.885  1.00  0.00           H  
HETATM   55  H   UNL     1      18.366  30.369  -7.923  1.00  0.00           H  
HETATM   56  H   UNL     1      16.140  29.550  -6.611  1.00  0.00           H  
HETATM   57  H   UNL     1      20.880  23.068 -13.524  1.00  0.00           H  
HETATM   58  H   UNL     1      22.745  23.145 -15.187  1.00  0.00           H  
HETATM   59  H   UNL     1      21.892  24.479 -16.037  1.00  0.00           H  
HETATM   60  H   UNL     1      23.048  25.693 -16.359  1.00  0.00           H  
HETATM   61  H   UNL     1      24.236  24.432 -15.885  1.00  0.00           H  
HETATM   62  H   UNL     1      23.477  24.660 -13.369  1.00  0.00           H  
HETATM   63  H   UNL     1      22.290  25.923 -13.841  1.00  0.00           H  
HETATM   64  H   UNL     1      24.370  28.500 -15.651  1.00  0.00           H  
HETATM   65  H   UNL     1      23.325  27.611 -14.490  1.00  0.00           H  
HETATM   66  H   UNL     1      24.805  26.514 -13.461  1.00  0.00           H  
HETATM   67  H   UNL     1      25.911  25.314 -14.211  1.00  0.00           H  
HETATM   68  H   UNL     1      26.821  27.178 -13.095  1.00  0.00           H  
HETATM   69  H   UNL     1      26.150  28.186 -14.422  1.00  0.00           H  
HETATM   70  H   UNL     1      28.940  27.070 -13.220  1.00  0.00           H  
HETATM   71  H   UNL     1      30.931  26.819 -14.584  1.00  0.00           H  
HETATM   72  H   UNL     1      30.801  26.500 -16.989  1.00  0.00           H  
HETATM   73  H   UNL     1      28.605  26.562 -18.083  1.00  0.00           H  
HETATM   74  H   UNL     1      25.422  31.751 -18.410  1.00  0.00           H  
HETATM   75  H   UNL     1      22.199  28.768 -16.458  1.00  0.00           H  
HETATM   76  H   UNL     1      21.749  27.058 -16.138  1.00  0.00           H  
HETATM   77  H   UNL     1      25.261  26.405 -20.031  1.00  0.00           H  
HETATM   78  H   UNL     1      23.422  26.488 -21.638  1.00  0.00           H  
HETATM   79  H   UNL     1      21.204  27.144 -20.858  1.00  0.00           H  
HETATM   80  H   UNL     1      20.833  27.749 -18.531  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   16    3                                       
CONECT    3    2    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4    6   46   47                                       
CONECT    6    5    7   48   49                                       
CONECT    7    6    8   10   50                                       
CONECT    8    7    9   12   51                                       
CONECT    9    8   14   52                                            
CONECT   10    7   11                                                 
CONECT   11   10   12   53   54                                       
CONECT   12    8   11   13   55                                       
CONECT   13   14   12   56                                            
CONECT   14    9   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17    2   57                                            
CONECT   17   16   20   58   59                                       
CONECT   18   19   20   60   61                                       
CONECT   19   30   18   21   22                                       
CONECT   20   18   17   62   63                                       
CONECT   21   36   19   64   65                                       
CONECT   22   19   23   66   67                                       
CONECT   23   24   22   68   69                                       
CONECT   24   29   29   25   23                                       
CONECT   25   26   26   24   70                                       
CONECT   26   27   25   25   71                                       
CONECT   27   28   28   26   72                                       
CONECT   28   27   27   29   73                                       
CONECT   29   30   28   24   24                                       
CONECT   30   34   32   41   29                                       
CONECT   30   19                                                      
CONECT   31   33   33   32   32                                       
CONECT   32   31   31   30                                            
CONECT   33   31   31   74                                            
CONECT   34   37   37   35   30                                       
CONECT   35   40   40   34   36                                       
CONECT   36   35   21   75   76                                       
CONECT   37   38   34   34   77                                       
CONECT   38   39   39   37   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   39   35   35   80                                       
CONECT   41   30                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   33                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
