COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      12.280   7.564  17.118  1.00  0.00           O  
HETATM    2  C   UNL     1      11.437   8.340  16.581  1.00  0.00           C  
HETATM    3  O   UNL     1      10.457   8.803  17.206  1.00  0.00           O  
HETATM    4  C   UNL     1      11.595   8.785  15.129  1.00  0.00           C  
HETATM    5  C   UNL     1      11.041   7.802  14.091  1.00  0.00           C  
HETATM    6  C   UNL     1      11.233   6.360  14.506  1.00  0.00           C  
HETATM    7  C   UNL     1      12.476   5.688  14.642  1.00  0.00           C  
HETATM    8  C   UNL     1      13.877   6.176  14.435  1.00  0.00           C  
HETATM    9  C   UNL     1      10.287   5.389  14.854  1.00  0.00           C  
HETATM   10  C   UNL     1       8.877   5.353  14.931  1.00  0.00           C  
HETATM   11  C   UNL     1       7.880   6.306  14.695  1.00  0.00           C  
HETATM   12  C   UNL     1       8.015   7.738  14.229  1.00  0.00           C  
HETATM   13  C   UNL     1       7.924   7.689  12.698  1.00  0.00           C  
HETATM   14  C   UNL     1       8.583   8.876  12.020  1.00  0.00           C  
HETATM   15  O   UNL     1       8.450  10.028  12.514  1.00  0.00           O  
HETATM   16  O   UNL     1       9.237   8.639  10.970  1.00  0.00           O  
HETATM   17  C   UNL     1       6.668   5.618  14.958  1.00  0.00           C  
HETATM   18  C   UNL     1       5.272   6.179  14.854  1.00  0.00           C  
HETATM   19  N   UNL     1       8.328   4.214  15.321  1.00  0.00           N1+
HETATM   20  C   UNL     1       6.998   4.313  15.342  1.00  0.00           C  
HETATM   21  C   UNL     1       6.000   3.279  15.695  1.00  0.00           C  
HETATM   22  C   UNL     1       6.094   2.009  16.067  1.00  0.00           C  
HETATM   23  C   UNL     1       7.203   1.033  16.307  1.00  0.00           C  
HETATM   24 MN   UNL     1       9.697   2.750  15.640  1.00  0.00          Mn  
HETATM   25  N   UNL     1      11.090   1.281  16.047  1.00  0.00           N1+
HETATM   26  N   UNL     1      10.914   4.285  15.174  1.00  0.00           N  
HETATM   27  C   UNL     1      12.223   4.405  15.043  1.00  0.00           C  
HETATM   28  C   UNL     1      13.324   3.452  15.290  1.00  0.00           C  
HETATM   29  C   UNL     1      13.408   2.188  15.652  1.00  0.00           C  
HETATM   30  C   UNL     1      12.418   1.168  16.023  1.00  0.00           C  
HETATM   31  N   UNL     1       8.497   1.201  16.194  1.00  0.00           N  
HETATM   32  C   UNL     1       9.153   0.079  16.488  1.00  0.00           C  
HETATM   33  C   UNL     1       8.260  -0.932  16.834  1.00  0.00           C  
HETATM   34  C   UNL     1       8.498  -2.356  17.255  1.00  0.00           C  
HETATM   35  C   UNL     1       7.016  -0.296  16.712  1.00  0.00           C  
HETATM   36  C   UNL     1       5.665  -0.910  16.947  1.00  0.00           C  
HETATM   37  C   UNL     1       5.087  -1.139  15.559  1.00  0.00           C  
HETATM   38  C   UNL     1      10.570   0.122  16.414  1.00  0.00           C  
HETATM   39  C   UNL     1      11.585  -0.818  16.659  1.00  0.00           C  
HETATM   40  C   UNL     1      11.506  -2.261  17.092  1.00  0.00           C  
HETATM   41  C   UNL     1      12.779  -0.127  16.387  1.00  0.00           C  
HETATM   42  C   UNL     1      14.192  -0.669  16.469  1.00  0.00           C  
HETATM   43  C   UNL     1      14.742  -0.407  17.848  1.00  0.00           C  
HETATM   44  H   UNL     1      10.469   8.480  18.099  1.00  0.00           H  
HETATM   45  H   UNL     1      12.668   8.925  14.929  1.00  0.00           H  
HETATM   46  H   UNL     1      11.070   9.744  15.006  1.00  0.00           H  
HETATM   47  H   UNL     1      11.560   7.967  13.135  1.00  0.00           H  
HETATM   48  H   UNL     1       9.965   7.993  13.962  1.00  0.00           H  
HETATM   49  H   UNL     1      14.264   6.592  15.377  1.00  0.00           H  
HETATM   50  H   UNL     1      14.514   5.338  14.115  1.00  0.00           H  
HETATM   51  H   UNL     1      13.882   6.957  13.660  1.00  0.00           H  
HETATM   52  H   UNL     1       8.984   8.153  14.542  1.00  0.00           H  
HETATM   53  H   UNL     1       7.202   8.353  14.642  1.00  0.00           H  
HETATM   54  H   UNL     1       6.862   7.668  12.412  1.00  0.00           H  
HETATM   55  H   UNL     1       8.416   6.769  12.348  1.00  0.00           H  
HETATM   56  H   UNL     1       8.912  10.659  11.975  1.00  0.00           H  
HETATM   57  H   UNL     1       4.543   5.400  15.122  1.00  0.00           H  
HETATM   58  H   UNL     1       5.167   7.031  15.541  1.00  0.00           H  
HETATM   59  H   UNL     1       5.088   6.515  13.823  1.00  0.00           H  
HETATM   60  H   UNL     1       4.981   3.632  15.638  1.00  0.00           H  
HETATM   61  H   UNL     1       5.124   1.567  16.241  1.00  0.00           H  
HETATM   62  H   UNL     1      14.295   3.899  15.137  1.00  0.00           H  
HETATM   63  H   UNL     1      14.424   1.823  15.683  1.00  0.00           H  
HETATM   64  H   UNL     1       8.607  -2.402  18.349  1.00  0.00           H  
HETATM   65  H   UNL     1       7.645  -2.977  16.945  1.00  0.00           H  
HETATM   66  H   UNL     1       9.416  -2.730  16.779  1.00  0.00           H  
HETATM   67  H   UNL     1       5.025  -0.226  17.524  1.00  0.00           H  
HETATM   68  H   UNL     1       5.763  -1.863  17.487  1.00  0.00           H  
HETATM   69  H   UNL     1       4.088  -1.591  15.647  1.00  0.00           H  
HETATM   70  H   UNL     1       5.009  -0.177  15.031  1.00  0.00           H  
HETATM   71  H   UNL     1       5.746  -1.814  14.994  1.00  0.00           H  
HETATM   72  H   UNL     1      10.453  -2.544  17.235  1.00  0.00           H  
HETATM   73  H   UNL     1      11.956  -2.901  16.319  1.00  0.00           H  
HETATM   74  H   UNL     1      12.052  -2.390  18.038  1.00  0.00           H  
HETATM   75  H   UNL     1      14.183  -1.752  16.276  1.00  0.00           H  
HETATM   76  H   UNL     1      14.823  -0.168  15.720  1.00  0.00           H  
HETATM   77  H   UNL     1      15.768  -0.798  17.915  1.00  0.00           H  
HETATM   78  H   UNL     1      14.749   0.676  18.040  1.00  0.00           H  
HETATM   79  H   UNL     1      14.110  -0.908  18.596  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   44                                                 
CONECT    4    5    2   45   46                                       
CONECT    5    6    4   47   48                                       
CONECT    6    5    7    7    9                                       
CONECT    7    8    6    6   27                                       
CONECT    8    7   49   50   51                                       
CONECT    9    6   10   10   26                                       
CONECT   10   11    9    9   19                                       
CONECT   11   12   10   17   17                                       
CONECT   12   13   11   52   53                                       
CONECT   13   14   12   54   55                                       
CONECT   14   16   16   15   13                                       
CONECT   15   14   56                                                 
CONECT   16   14   14                                                 
CONECT   17   11   11   18   20                                       
CONECT   18   17   57   58   59                                       
CONECT   19   10   20   20   24                                       
CONECT   20   17   19   19   21                                       
CONECT   21   20   22   22   60                                       
CONECT   22   21   21   23   61                                       
CONECT   23   22   31   35   35                                       
CONECT   24   26   19   25   31                                       
CONECT   25   24   30   38   38                                       
CONECT   26    9   27   24                                            
CONECT   27    7   26   28   28                                       
CONECT   28   27   27   29   62                                       
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   25   41                                       
CONECT   31   24   23   32                                            
CONECT   32   31   38   33   33                                       
CONECT   33   32   32   35   34                                       
CONECT   34   33   64   65   66                                       
CONECT   35   23   23   33   36                                       
CONECT   36   37   35   67   68                                       
CONECT   37   36   69   70   71                                       
CONECT   38   25   25   32   39                                       
CONECT   39   41   41   38   40                                       
CONECT   40   39   72   73   74                                       
CONECT   41   30   42   39   39                                       
CONECT   42   41   43   75   76                                       
CONECT   43   42   77   78   79                                       
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
CONECT   74   40                                                      
CONECT   75   42                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
