COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      14.360  29.561  -8.272  1.00  0.00           O  
HETATM    2  C   UNL     1      15.643  29.441  -8.537  1.00  0.00           C  
HETATM    3  N   UNL     1      16.059  29.245  -9.746  1.00  0.00           N  
HETATM    4  N   UNL     1      16.484  29.626  -7.569  1.00  0.00           N  
HETATM    5  C   UNL     1      17.818  29.516  -8.169  1.00  0.00           C  
HETATM    6  C   UNL     1      17.543  29.239  -9.730  1.00  0.00           C  
HETATM    7  C   UNL     1      18.612  28.228  -7.681  1.00  0.00           C  
HETATM    8  S   UNL     1      17.990  26.849  -8.617  1.00  0.00           S  
HETATM    9  C   UNL     1      18.099  27.834 -10.145  1.00  0.00           C  
HETATM   10  C   UNL     1      17.480  27.264 -11.434  1.00  0.00           C  
HETATM   11  C   UNL     1      18.332  26.124 -11.959  1.00  0.00           C  
HETATM   12  C   UNL     1      17.637  25.498 -13.221  1.00  0.00           C  
HETATM   13  C   UNL     1      18.492  24.401 -13.872  1.00  0.00           C  
HETATM   14  C   UNL     1      19.816  24.971 -14.346  1.00  0.00           C  
HETATM   15  O   UNL     1      19.869  26.022 -14.997  1.00  0.00           O  
HETATM   16  N   UNL     1      20.899  24.261 -14.000  1.00  0.00           N  
HETATM   17  C   UNL     1      22.196  25.019 -14.041  1.00  0.00           C  
HETATM   18  C   UNL     1      22.668  24.828 -15.493  1.00  0.00           C  
HETATM   19  C   UNL     1      24.909  25.664 -14.698  1.00  0.00           C  
HETATM   20  C   UNL     1      26.321  26.131 -15.133  1.00  0.00           C  
HETATM   21  C   UNL     1      26.844  24.991 -15.965  1.00  0.00           C  
HETATM   22  C   UNL     1      28.096  24.335 -15.466  1.00  0.00           C  
HETATM   23  C   UNL     1      28.628  23.237 -16.237  1.00  0.00           C  
HETATM   24  C   UNL     1      27.905  22.847 -17.430  1.00  0.00           C  
HETATM   25  C   UNL     1      26.687  23.567 -17.839  1.00  0.00           C  
HETATM   26  N   UNL     1      26.176  24.561 -17.087  1.00  0.00           N  
HETATM   27 CU   UNL     1      24.447  25.475 -17.868  1.00  0.00          Cu  
HETATM   28  N   UNL     1      23.855  23.670 -18.351  1.00  0.00           N  
HETATM   29  N   UNL     1      22.871  23.090 -18.467  1.00  0.00           N1+
HETATM   30  N   UNL     1      21.925  22.477 -18.545  1.00  0.00           N1-
HETATM   31  N   UNL     1      23.923  25.720 -15.845  1.00  0.00           N  
HETATM   32  C   UNL     1      23.662  27.195 -15.767  1.00  0.00           C  
HETATM   33  C   UNL     1      22.507  27.809 -16.590  1.00  0.00           C  
HETATM   34  C   UNL     1      22.283  27.412 -18.041  1.00  0.00           C  
HETATM   35  N   UNL     1      22.852  26.384 -18.644  1.00  0.00           N  
HETATM   36  C   UNL     1      21.161  28.110 -18.705  1.00  0.00           C  
HETATM   37  C   UNL     1      20.783  27.715 -20.053  1.00  0.00           C  
HETATM   38  C   UNL     1      21.532  26.669 -20.729  1.00  0.00           C  
HETATM   39  C   UNL     1      22.622  26.039 -19.964  1.00  0.00           C  
HETATM   40  H   UNL     1      15.481  29.119 -10.552  1.00  0.00           H  
HETATM   41  H   UNL     1      16.268  29.807  -6.609  1.00  0.00           H  
HETATM   42  H   UNL     1      18.422  30.425  -8.036  1.00  0.00           H  
HETATM   43  H   UNL     1      17.975  30.039 -10.349  1.00  0.00           H  
HETATM   44  H   UNL     1      18.441  28.063  -6.607  1.00  0.00           H  
HETATM   45  H   UNL     1      19.689  28.355  -7.866  1.00  0.00           H  
HETATM   46  H   UNL     1      19.178  27.953 -10.323  1.00  0.00           H  
HETATM   47  H   UNL     1      17.425  28.058 -12.194  1.00  0.00           H  
HETATM   48  H   UNL     1      16.467  26.892 -11.218  1.00  0.00           H  
HETATM   49  H   UNL     1      18.439  25.356 -11.179  1.00  0.00           H  
HETATM   50  H   UNL     1      19.326  26.505 -12.237  1.00  0.00           H  
HETATM   51  H   UNL     1      17.461  26.294 -13.959  1.00  0.00           H  
HETATM   52  H   UNL     1      16.675  25.062 -12.915  1.00  0.00           H  
HETATM   53  H   UNL     1      17.949  23.982 -14.732  1.00  0.00           H  
HETATM   54  H   UNL     1      18.683  23.606 -13.136  1.00  0.00           H  
HETATM   55  H   UNL     1      20.848  23.298 -13.734  1.00  0.00           H  
HETATM   56  H   UNL     1      22.923  24.597 -13.331  1.00  0.00           H  
HETATM   57  H   UNL     1      22.038  26.084 -13.814  1.00  0.00           H  
HETATM   58  H   UNL     1      21.844  25.097 -16.170  1.00  0.00           H  
HETATM   59  H   UNL     1      22.934  23.771 -15.641  1.00  0.00           H  
HETATM   60  H   UNL     1      24.551  26.317 -13.888  1.00  0.00           H  
HETATM   61  H   UNL     1      24.973  24.628 -14.333  1.00  0.00           H  
HETATM   62  H   UNL     1      26.963  26.302 -14.256  1.00  0.00           H  
HETATM   63  H   UNL     1      26.261  27.054 -15.729  1.00  0.00           H  
HETATM   64  H   UNL     1      28.582  24.672 -14.562  1.00  0.00           H  
HETATM   65  H   UNL     1      29.531  22.726 -15.936  1.00  0.00           H  
HETATM   66  H   UNL     1      28.263  22.020 -18.025  1.00  0.00           H  
HETATM   67  H   UNL     1      26.194  23.293 -18.760  1.00  0.00           H  
HETATM   68  H   UNL     1      21.019  22.856 -18.620  1.00  0.00           H  
HETATM   69  H   UNL     1      24.586  27.700 -16.086  1.00  0.00           H  
HETATM   70  H   UNL     1      23.462  27.429 -14.711  1.00  0.00           H  
HETATM   71  H   UNL     1      22.663  28.898 -16.584  1.00  0.00           H  
HETATM   72  H   UNL     1      21.578  27.569 -16.053  1.00  0.00           H  
HETATM   73  H   UNL     1      20.630  28.901 -18.197  1.00  0.00           H  
HETATM   74  H   UNL     1      19.952  28.195 -20.548  1.00  0.00           H  
HETATM   75  H   UNL     1      21.301  26.369 -21.740  1.00  0.00           H  
HETATM   76  H   UNL     1      23.249  25.299 -20.439  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    6    2   40                                            
CONECT    4    2    5   41                                            
CONECT    5    6    7    4   42                                       
CONECT    6    9    3    5   43                                       
CONECT    7    8    5   44   45                                       
CONECT    8    9    7                                                 
CONECT    9   10    6    8   46                                       
CONECT   10   11    9   47   48                                       
CONECT   11   12   10   49   50                                       
CONECT   12   13   11   51   52                                       
CONECT   13   14   12   53   54                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   55                                            
CONECT   17   18   16   56   57                                       
CONECT   18   31   17   58   59                                       
CONECT   19   31   20   60   61                                       
CONECT   20   21   19   62   63                                       
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   64                                       
CONECT   23   24   22   22   65                                       
CONECT   24   25   25   23   66                                       
CONECT   25   24   24   26   67                                       
CONECT   26   27   25   21   21                                       
CONECT   27   35   28   26   31                                       
CONECT   28   29   29   27                                            
CONECT   29   30   30   28   28                                       
CONECT   30   29   29   68                                            
CONECT   31   27   32   18   19                                       
CONECT   32   33   31   69   70                                       
CONECT   33   34   32   71   72                                       
CONECT   34   36   36   35   33                                       
CONECT   35   39   39   34   27                                       
CONECT   36   37   34   34   73                                       
CONECT   37   38   38   36   74                                       
CONECT   38   37   37   39   75                                       
CONECT   39   38   35   35   76                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
