COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.923   2.979  -2.200  1.00  0.00           C  
HETATM    2  C   UNL     1       4.070   2.352  -4.415  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.468  -2.909  -1.260  1.00  0.00           C  
HETATM    4  C   UNL     1       1.406  -4.706  -1.493  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.468   2.033   0.626  1.00  0.00           C  
HETATM    6  C   UNL     1       1.179   2.430  -1.164  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.660   3.237   0.790  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.676   2.303   1.498  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.287   0.886   1.669  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.704   0.827   1.094  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.673   1.521   2.054  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.038   1.596   1.422  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.219   1.141   0.317  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.055   2.168   2.087  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.347   0.047   0.862  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.248   0.736   0.603  1.00  0.00           N1+
HETATM   17  C   UNL     1       0.185   2.864  -0.274  1.00  0.00           C  
HETATM   18  C   UNL     1       1.458   4.018  -3.188  1.00  0.00           C  
HETATM   19  C   UNL     1       3.199   2.383  -2.148  1.00  0.00           C  
HETATM   20  C   UNL     1       4.299   2.529  -3.118  1.00  0.00           C  
HETATM   21  C   UNL     1       3.192   1.625  -0.978  1.00  0.00           C  
HETATM   22  N   UNL     1       1.859   1.305  -0.774  1.00  0.00           N  
HETATM   23  N   UNL     1       0.737  -1.251  -0.356  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.548  -1.709  -0.538  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.519  -3.528  -2.084  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.346  -4.633  -2.560  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.672  -2.869  -2.312  1.00  0.00           O  
HETATM   28  C   UNL     1       0.831  -3.394  -1.027  1.00  0.00           C  
HETATM   29  C   UNL     1       1.473  -2.421  -0.283  1.00  0.00           C  
HETATM   30  C   UNL     1       2.504  -2.552   0.665  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.630  -1.119   0.138  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.016  -1.707   0.088  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.825  -0.999  -0.967  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.328  -0.107  -1.613  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.099  -1.358  -1.190  1.00  0.00           O  
HETATM   36  N   UNL     1       2.397  -0.170   0.973  1.00  0.00           N1+
HETATM   37  C   UNL     1       2.779  -1.377   1.397  1.00  0.00           C  
HETATM   38  C   UNL     1       3.620  -1.163   2.513  1.00  0.00           C  
HETATM   39  C   UNL     1       3.896  -2.101   3.660  1.00  0.00           C  
HETATM   40  C   UNL     1       2.807  -1.942   4.722  1.00  0.00           C  
HETATM   41  C   UNL     1       4.127   0.101   2.309  1.00  0.00           C  
HETATM   42  C   UNL     1       5.102   0.857   3.175  1.00  0.00           C  
HETATM   43  C   UNL     1       3.530   0.527   1.107  1.00  0.00           C  
HETATM   44  C   UNL     1       4.070   1.327   0.056  1.00  0.00           C  
HETATM   45 CU   UNL     1       1.153   0.194   0.078  1.00  0.00          Cu  
HETATM   46  H   UNL     1       3.077   2.101  -4.758  1.00  0.00           H  
HETATM   47  H   UNL     1       4.876   2.459  -5.125  1.00  0.00           H  
HETATM   48  H   UNL     1       0.652  -5.253  -2.058  1.00  0.00           H  
HETATM   49  H   UNL     1       2.271  -4.518  -2.129  1.00  0.00           H  
HETATM   50  H   UNL     1       1.712  -5.296  -0.629  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.497   3.454   1.454  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.154   4.166   0.528  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.030   2.757  -0.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.725   1.332   0.129  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.002  -0.213   0.967  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.733   0.953   2.983  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.315   2.529   2.267  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.913   2.192   1.640  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.089   3.908  -0.291  1.00  0.00           H  
HETATM   60  H   UNL     1       1.673   5.013  -2.797  1.00  0.00           H  
HETATM   61  H   UNL     1       1.980   3.879  -4.134  1.00  0.00           H  
HETATM   62  H   UNL     1       0.384   3.914  -3.346  1.00  0.00           H  
HETATM   63  H   UNL     1       5.292   2.780  -2.774  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.333  -3.316  -2.859  1.00  0.00           H  
HETATM   65  H   UNL     1       3.041  -3.476   0.821  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.952  -2.768  -0.154  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.498  -1.585   1.058  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.578  -0.875  -1.877  1.00  0.00           H  
HETATM   69  H   UNL     1       3.902  -3.128   3.296  1.00  0.00           H  
HETATM   70  H   UNL     1       4.867  -1.864   4.096  1.00  0.00           H  
HETATM   71  H   UNL     1       2.801  -0.915   5.086  1.00  0.00           H  
HETATM   72  H   UNL     1       1.836  -2.178   4.286  1.00  0.00           H  
HETATM   73  H   UNL     1       3.007  -2.620   5.552  1.00  0.00           H  
HETATM   74  H   UNL     1       5.372   0.246   4.036  1.00  0.00           H  
HETATM   75  H   UNL     1       5.997   1.089   2.598  1.00  0.00           H  
HETATM   76  H   UNL     1       4.640   1.783   3.518  1.00  0.00           H  
HETATM   77  H   UNL     1       5.092   1.676   0.063  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.375   2.717   2.460  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.280   0.582   2.716  1.00  0.00           H  
CONECT    1   18    6    6   19                                       
CONECT    2   20   20   46   47                                       
CONECT    3   24   25   28   28                                       
CONECT    4   28   48   49   50                                       
CONECT    5    8   17   17   16                                       
CONECT    6   17    1    1   22                                       
CONECT    7    8   51   52   53                                       
CONECT    8    7    9    5   78                                       
CONECT    9   10    8   15   79                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   13   13   11   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   58                                                 
CONECT   15    9   16   16   31                                       
CONECT   16    5   15   15   45                                       
CONECT   17    5    5    6   59                                       
CONECT   18    1   60   61   62                                       
CONECT   19    1   20   21   21                                       
CONECT   20    2    2   19   63                                       
CONECT   21   19   19   22   44                                       
CONECT   22    6   21   45                                            
CONECT   23   45   24   29                                            
CONECT   24   31   31   23    3                                       
CONECT   25   26   26    3   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   64                                                 
CONECT   28    3    3   29    4                                       
CONECT   29   23   28   30   30                                       
CONECT   30   29   29   37   65                                       
CONECT   31   15   32   24   24                                       
CONECT   32   33   31   66   67                                       
CONECT   33   34   34   32   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   68                                                 
CONECT   36   45   43   37   37                                       
CONECT   37   36   36   30   38                                       
CONECT   38   37   41   41   39                                       
CONECT   39   38   40   69   70                                       
CONECT   40   39   71   72   73                                       
CONECT   41   43   42   38   38                                       
CONECT   42   41   74   75   76                                       
CONECT   43   44   44   36   41                                       
CONECT   44   21   43   43   77                                       
CONECT   45   16   22   23   36                                       
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   42                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   44                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
