COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.334   8.673  15.349  1.00  0.00           O  
HETATM    2  C   UNL     1      10.751   8.770  14.182  1.00  0.00           C  
HETATM    3  O   UNL     1      10.103   9.281  13.180  1.00  0.00           O  
HETATM    4  C   UNL     1      12.151   8.154  14.077  1.00  0.00           C  
HETATM    5  C   UNL     1      12.086   7.052  13.009  1.00  0.00           C  
HETATM    6  C   UNL     1      11.907   5.680  13.629  1.00  0.00           C  
HETATM    7  C   UNL     1      12.879   4.777  13.996  1.00  0.00           C  
HETATM    8  C   UNL     1      14.365   4.930  13.892  1.00  0.00           C  
HETATM    9  C   UNL     1      12.211   3.661  14.502  1.00  0.00           C  
HETATM   10  N   UNL     1      10.861   3.853  14.511  1.00  0.00           N  
HETATM   11  C   UNL     1      10.725   5.052  13.925  1.00  0.00           C  
HETATM   12  C   UNL     1       9.374   5.592  13.685  1.00  0.00           C  
HETATM   13  C   UNL     1      12.909   2.443  14.985  1.00  0.00           C  
HETATM   14  C   UNL     1      12.221   1.310  15.542  1.00  0.00           C  
HETATM   15  N   UNL     1      10.910   1.449  15.577  1.00  0.00           N  
HETATM   16 CO   UNL     1       9.574   2.584  15.082  1.00  0.00          Co1+
HETATM   17  C   UNL     1      12.723   0.136  16.096  1.00  0.00           C  
HETATM   18  C   UNL     1      14.182  -0.219  16.148  1.00  0.00           C  
HETATM   19  C   UNL     1      11.588  -0.570  16.523  1.00  0.00           C  
HETATM   20  C   UNL     1      11.673  -1.922  17.221  1.00  0.00           C  
HETATM   21  C   UNL     1      10.348   0.289  16.394  1.00  0.00           C  
HETATM   22  C   UNL     1      10.037   0.703  17.863  1.00  0.00           C  
HETATM   23  C   UNL     1       9.018  -0.045  15.775  1.00  0.00           C  
HETATM   24  N   UNL     1       8.334   1.279  15.606  1.00  0.00           N  
HETATM   25  C   UNL     1       9.383  -0.727  14.433  1.00  0.00           C  
HETATM   26  C   UNL     1       7.892  -0.880  16.296  1.00  0.00           C  
HETATM   27  C   UNL     1       7.972  -2.339  16.690  1.00  0.00           C  
HETATM   28  C   UNL     1       6.676  -0.210  16.167  1.00  0.00           C  
HETATM   29  C   UNL     1       5.282  -0.704  16.386  1.00  0.00           C  
HETATM   30  C   UNL     1       7.034   1.090  15.719  1.00  0.00           C  
HETATM   31  C   UNL     1       6.235   2.279  15.424  1.00  0.00           C  
HETATM   32  C   UNL     1       6.798   3.520  14.803  1.00  0.00           C  
HETATM   33  C   UNL     1       6.012   4.559  14.346  1.00  0.00           C  
HETATM   34  C   UNL     1       4.497   4.690  14.337  1.00  0.00           C  
HETATM   35  N   UNL     1       8.141   3.726  14.594  1.00  0.00           N  
HETATM   36  C   UNL     1       8.140   4.941  14.034  1.00  0.00           C  
HETATM   37  C   UNL     1       6.907   5.477  13.826  1.00  0.00           C  
HETATM   38  C   UNL     1       6.588   6.810  13.186  1.00  0.00           C  
HETATM   39  C   UNL     1       6.523   6.577  11.663  1.00  0.00           C  
HETATM   40  C   UNL     1       6.177   7.778  10.801  1.00  0.00           C  
HETATM   41  O   UNL     1       4.983   8.184  10.796  1.00  0.00           O  
HETATM   42  O   UNL     1       7.095   8.275  10.103  1.00  0.00           O  
HETATM   43  H   UNL     1       9.457   9.033  15.403  1.00  0.00           H  
HETATM   44  H   UNL     1      12.446   7.723  15.045  1.00  0.00           H  
HETATM   45  H   UNL     1      12.879   8.923  13.781  1.00  0.00           H  
HETATM   46  H   UNL     1      13.021   7.062  12.429  1.00  0.00           H  
HETATM   47  H   UNL     1      11.237   7.254  12.339  1.00  0.00           H  
HETATM   48  H   UNL     1      14.855   4.022  14.273  1.00  0.00           H  
HETATM   49  H   UNL     1      14.645   5.083  12.839  1.00  0.00           H  
HETATM   50  H   UNL     1      14.687   5.798  14.487  1.00  0.00           H  
HETATM   51  H   UNL     1       9.305   6.558  13.207  1.00  0.00           H  
HETATM   52  H   UNL     1      13.986   2.406  14.915  1.00  0.00           H  
HETATM   53  H   UNL     1      14.305  -1.197  16.636  1.00  0.00           H  
HETATM   54  H   UNL     1      14.584  -0.266  15.125  1.00  0.00           H  
HETATM   55  H   UNL     1      14.725   0.547  16.721  1.00  0.00           H  
HETATM   56  H   UNL     1      10.659  -2.277  17.459  1.00  0.00           H  
HETATM   57  H   UNL     1      12.168  -2.646  16.558  1.00  0.00           H  
HETATM   58  H   UNL     1      12.253  -1.819  18.150  1.00  0.00           H  
HETATM   59  H   UNL     1       9.636  -0.162  18.411  1.00  0.00           H  
HETATM   60  H   UNL     1      10.961   1.049  18.350  1.00  0.00           H  
HETATM   61  H   UNL     1       9.295   1.515  17.866  1.00  0.00           H  
HETATM   62  H   UNL     1       9.879  -1.688  14.633  1.00  0.00           H  
HETATM   63  H   UNL     1       8.467  -0.901  13.849  1.00  0.00           H  
HETATM   64  H   UNL     1      10.062  -0.075  13.863  1.00  0.00           H  
HETATM   65  H   UNL     1       6.985  -2.681  17.036  1.00  0.00           H  
HETATM   66  H   UNL     1       8.283  -2.937  15.821  1.00  0.00           H  
HETATM   67  H   UNL     1       8.706  -2.460  17.500  1.00  0.00           H  
HETATM   68  H   UNL     1       5.312  -1.747  16.733  1.00  0.00           H  
HETATM   69  H   UNL     1       4.787  -0.080  17.144  1.00  0.00           H  
HETATM   70  H   UNL     1       4.721  -0.648  15.442  1.00  0.00           H  
HETATM   71  H   UNL     1       5.183   2.261  15.667  1.00  0.00           H  
HETATM   72  H   UNL     1       4.049   3.809  14.820  1.00  0.00           H  
HETATM   73  H   UNL     1       4.204   5.597  14.886  1.00  0.00           H  
HETATM   74  H   UNL     1       4.141   4.759  13.298  1.00  0.00           H  
HETATM   75  H   UNL     1       7.376   7.541  13.423  1.00  0.00           H  
HETATM   76  H   UNL     1       5.620   7.183  13.552  1.00  0.00           H  
HETATM   77  H   UNL     1       5.763   5.804  11.477  1.00  0.00           H  
HETATM   78  H   UNL     1       7.508   6.208  11.340  1.00  0.00           H  
HETATM   79  H   UNL     1       4.898   8.911  10.190  1.00  0.00           H  
CONECT    1    2   43                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2   44   45                                       
CONECT    5    6    4   46   47                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   48   49   50                                       
CONECT    9    7   10   13   13                                       
CONECT   10   11    9   16                                            
CONECT   11    6   12   12   10                                       
CONECT   12   11   11   36   51                                       
CONECT   13    9    9   14   52                                       
CONECT   14   13   15   15   17                                       
CONECT   15   16   14   14   21                                       
CONECT   16   10   35   15   24                                       
CONECT   17   14   18   19   19                                       
CONECT   18   17   53   54   55                                       
CONECT   19   17   17   21   20                                       
CONECT   20   19   56   57   58                                       
CONECT   21   15   23   19   22                                       
CONECT   22   21   59   60   61                                       
CONECT   23   25   24   26   21                                       
CONECT   24   16   30   30   23                                       
CONECT   25   23   62   63   64                                       
CONECT   26   23   28   28   27                                       
CONECT   27   26   65   66   67                                       
CONECT   28   30   26   26   29                                       
CONECT   29   28   68   69   70                                       
CONECT   30   31   24   24   28                                       
CONECT   31   32   32   30   71                                       
CONECT   32   33   35   31   31                                       
CONECT   33   37   37   34   32                                       
CONECT   34   33   72   73   74                                       
CONECT   35   36   36   32   16                                       
CONECT   36   12   37   35   35                                       
CONECT   37   38   36   33   33                                       
CONECT   38   39   37   75   76                                       
CONECT   39   40   38   77   78                                       
CONECT   40   42   42   41   39                                       
CONECT   41   40   79                                                 
CONECT   42   40   40                                                 
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   31                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
