COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      14.245  29.343  -8.280  1.00  0.00           O  
HETATM    2  C   UNL     1      15.579  29.334  -8.508  1.00  0.00           C  
HETATM    3  N   UNL     1      16.062  29.111  -9.755  1.00  0.00           N  
HETATM    4  N   UNL     1      16.493  29.426  -7.489  1.00  0.00           N  
HETATM    5  C   UNL     1      17.819  29.364  -8.157  1.00  0.00           C  
HETATM    6  C   UNL     1      17.526  29.175  -9.684  1.00  0.00           C  
HETATM    7  C   UNL     1      18.561  28.100  -7.691  1.00  0.00           C  
HETATM    8  S   UNL     1      17.978  26.702  -8.632  1.00  0.00           S  
HETATM    9  C   UNL     1      18.117  27.812 -10.077  1.00  0.00           C  
HETATM   10  C   UNL     1      17.509  27.145 -11.324  1.00  0.00           C  
HETATM   11  C   UNL     1      18.345  26.060 -11.951  1.00  0.00           C  
HETATM   12  C   UNL     1      17.676  25.405 -13.188  1.00  0.00           C  
HETATM   13  C   UNL     1      18.396  24.142 -13.717  1.00  0.00           C  
HETATM   14  C   UNL     1      19.753  24.551 -14.322  1.00  0.00           C  
HETATM   15  O   UNL     1      19.806  25.670 -15.035  1.00  0.00           O  
HETATM   16  N   UNL     1      20.871  23.721 -14.165  1.00  0.00           N  
HETATM   17  C   UNL     1      22.023  23.937 -15.083  1.00  0.00           C  
HETATM   18  C   UNL     1      23.012  25.041 -14.646  1.00  0.00           C  
HETATM   19  C   UNL     1      23.983  25.040 -15.841  1.00  0.00           C  
HETATM   20  C   UNL     1      25.466  26.328 -14.274  1.00  0.00           C  
HETATM   21  C   UNL     1      26.496  27.434 -14.186  1.00  0.00           C  
HETATM   22  C   UNL     1      27.764  27.090 -14.953  1.00  0.00           C  
HETATM   23  C   UNL     1      28.998  27.058 -14.300  1.00  0.00           C  
HETATM   24  C   UNL     1      30.147  26.794 -15.072  1.00  0.00           C  
HETATM   25  C   UNL     1      30.094  26.560 -16.470  1.00  0.00           C  
HETATM   26  C   UNL     1      28.846  26.601 -17.129  1.00  0.00           C  
HETATM   27  N   UNL     1      27.698  26.859 -16.346  1.00  0.00           N  
HETATM   28 CU   UNL     1      25.813  26.750 -17.233  1.00  0.00          Cu  
HETATM   29  N   UNL     1      24.555  26.439 -15.495  1.00  0.00           N  
HETATM   30  C   UNL     1      23.771  27.711 -15.497  1.00  0.00           C  
HETATM   31  C   UNL     1      22.842  28.106 -16.683  1.00  0.00           C  
HETATM   32  C   UNL     1      22.990  27.423 -18.079  1.00  0.00           C  
HETATM   33  N   UNL     1      24.214  26.916 -18.539  1.00  0.00           N  
HETATM   34  C   UNL     1      21.868  27.366 -18.947  1.00  0.00           C  
HETATM   35  C   UNL     1      21.971  26.750 -20.217  1.00  0.00           C  
HETATM   36  C   UNL     1      23.210  26.221 -20.653  1.00  0.00           C  
HETATM   37  C   UNL     1      24.344  26.294 -19.803  1.00  0.00           C  
HETATM   38  O   UNL     1      26.201  24.559 -17.845  1.00  0.00           O  
HETATM   39  H   UNL     1      15.518  28.935 -10.576  1.00  0.00           H  
HETATM   40  H   UNL     1      16.307  29.515  -6.510  1.00  0.00           H  
HETATM   41  H   UNL     1      18.417  30.270  -7.979  1.00  0.00           H  
HETATM   42  H   UNL     1      17.951  29.995 -10.281  1.00  0.00           H  
HETATM   43  H   UNL     1      18.366  27.931  -6.622  1.00  0.00           H  
HETATM   44  H   UNL     1      19.642  28.227  -7.851  1.00  0.00           H  
HETATM   45  H   UNL     1      19.197  27.938 -10.244  1.00  0.00           H  
HETATM   46  H   UNL     1      17.345  27.927 -12.081  1.00  0.00           H  
HETATM   47  H   UNL     1      16.543  26.705 -11.036  1.00  0.00           H  
HETATM   48  H   UNL     1      18.525  25.279 -11.198  1.00  0.00           H  
HETATM   49  H   UNL     1      19.305  26.496 -12.264  1.00  0.00           H  
HETATM   50  H   UNL     1      17.649  26.149 -13.998  1.00  0.00           H  
HETATM   51  H   UNL     1      16.648  25.124 -12.914  1.00  0.00           H  
HETATM   52  H   UNL     1      17.778  23.662 -14.490  1.00  0.00           H  
HETATM   53  H   UNL     1      18.560  23.437 -12.889  1.00  0.00           H  
HETATM   54  H   UNL     1      20.894  23.010 -13.462  1.00  0.00           H  
HETATM   55  H   UNL     1      21.625  24.208 -16.072  1.00  0.00           H  
HETATM   56  H   UNL     1      22.580  22.991 -15.159  1.00  0.00           H  
HETATM   57  H   UNL     1      23.523  24.780 -13.708  1.00  0.00           H  
HETATM   58  H   UNL     1      22.510  26.013 -14.532  1.00  0.00           H  
HETATM   59  H   UNL     1      23.474  25.006 -16.816  1.00  0.00           H  
HETATM   60  H   UNL     1      24.734  24.238 -15.791  1.00  0.00           H  
HETATM   61  H   UNL     1      24.841  26.361 -13.369  1.00  0.00           H  
HETATM   62  H   UNL     1      25.994  25.364 -14.320  1.00  0.00           H  
HETATM   63  H   UNL     1      26.753  27.598 -13.129  1.00  0.00           H  
HETATM   64  H   UNL     1      26.065  28.355 -14.605  1.00  0.00           H  
HETATM   65  H   UNL     1      29.070  27.230 -13.236  1.00  0.00           H  
HETATM   66  H   UNL     1      31.108  26.769 -14.579  1.00  0.00           H  
HETATM   67  H   UNL     1      30.998  26.353 -17.024  1.00  0.00           H  
HETATM   68  H   UNL     1      28.771  26.441 -18.194  1.00  0.00           H  
HETATM   69  H   UNL     1      24.504  28.525 -15.396  1.00  0.00           H  
HETATM   70  H   UNL     1      23.132  27.680 -14.602  1.00  0.00           H  
HETATM   71  H   UNL     1      22.983  29.185 -16.846  1.00  0.00           H  
HETATM   72  H   UNL     1      21.811  27.917 -16.350  1.00  0.00           H  
HETATM   73  H   UNL     1      20.928  27.796 -18.635  1.00  0.00           H  
HETATM   74  H   UNL     1      21.102  26.683 -20.855  1.00  0.00           H  
HETATM   75  H   UNL     1      23.292  25.764 -21.628  1.00  0.00           H  
HETATM   76  H   UNL     1      25.292  25.881 -20.116  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    6    2   39                                            
CONECT    4    2    5   40                                            
CONECT    5    6    7    4   41                                       
CONECT    6    9    3    5   42                                       
CONECT    7    8    5   43   44                                       
CONECT    8    9    7                                                 
CONECT    9   10    6    8   45                                       
CONECT   10   11    9   46   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   52   53                                       
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   54                                            
CONECT   17   18   16   55   56                                       
CONECT   18   19   17   57   58                                       
CONECT   19   29   18   59   60                                       
CONECT   20   29   21   61   62                                       
CONECT   21   22   20   63   64                                       
CONECT   22   27   27   23   21                                       
CONECT   23   24   24   22   65                                       
CONECT   24   25   23   23   66                                       
CONECT   25   26   26   24   67                                       
CONECT   26   25   25   27   68                                       
CONECT   27   28   26   22   22                                       
CONECT   28   33   38   27   29                                       
CONECT   29   28   19   30   20                                       
CONECT   30   31   29   69   70                                       
CONECT   31   32   30   71   72                                       
CONECT   32   34   34   33   31                                       
CONECT   33   37   37   32   28                                       
CONECT   34   35   32   32   73                                       
CONECT   35   36   36   34   74                                       
CONECT   36   35   35   37   75                                       
CONECT   37   36   33   33   76                                       
CONECT   38   28                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   37                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
