COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.832 -29.713  52.966  1.00  0.00           O  
HETATM    2  C   UNL     1       1.162 -29.059  52.136  1.00  0.00           C  
HETATM    3  O   UNL     1       1.660 -28.251  51.323  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.332 -29.252  52.111  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.989 -28.227  53.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.118 -26.893  52.337  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.224 -25.726  52.399  1.00  0.00           C  
HETATM    8  C   UNL     1       1.058 -25.615  53.177  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.176 -26.434  51.413  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.243 -27.335  51.048  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.998 -25.199  50.931  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.861 -24.740  51.486  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.263 -23.437  51.230  1.00  0.00           C  
HETATM   14 MN   UNL     1      -3.289 -24.154  49.687  1.00  0.00          Mn  
HETATM   15  N   UNL     1      -4.246 -23.261  48.082  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.392 -21.857  47.991  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.586 -21.422  47.271  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.206 -18.395  47.223  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.788 -18.729  48.347  1.00  0.00           C  
HETATM   20  O   UNL     1      -8.374 -18.408  49.401  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.528 -19.543  48.437  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.992 -19.994  47.058  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.312 -22.664  46.927  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.635 -22.772  46.210  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.437 -23.750  47.446  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.749 -25.168  47.409  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.037 -22.488  49.800  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.866 -22.388  50.438  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.238 -21.045  50.312  1.00  0.00           C  
HETATM   30  C   UNL     1       1.028 -20.500  50.903  1.00  0.00           C  
HETATM   31  C   UNL     1       0.531 -19.798  52.171  1.00  0.00           C  
HETATM   32  C   UNL     1       1.653 -19.220  53.003  1.00  0.00           C  
HETATM   33  O   UNL     1       2.801 -19.722  52.897  1.00  0.00           O  
HETATM   34  O   UNL     1       1.372 -18.273  53.781  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.198 -20.294  49.510  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.110 -18.854  49.079  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.263 -21.285  49.267  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.406 -20.929  48.467  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.308 -25.922  49.281  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.166 -27.087  49.946  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.220 -26.140  48.333  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.779 -27.518  48.344  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.831 -28.142  47.468  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.045 -28.164  49.440  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.129 -29.584  49.918  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.021 -30.343  49.188  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.090 -31.829  49.452  1.00  0.00           C  
HETATM   48  O   UNL     1      -4.724 -32.229  50.448  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.508 -32.602  48.657  1.00  0.00           O  
HETATM   50  H   UNL     1       2.752 -29.495  52.873  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.704 -29.110  51.086  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.577 -30.268  52.453  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.989 -28.585  53.327  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.371 -28.105  53.941  1.00  0.00           H  
HETATM   55  H   UNL     1       1.221 -26.540  53.750  1.00  0.00           H  
HETATM   56  H   UNL     1       1.897 -25.462  52.482  1.00  0.00           H  
HETATM   57  H   UNL     1       0.995 -24.761  53.868  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.365 -28.242  51.622  1.00  0.00           H  
HETATM   59  H   UNL     1       0.705 -23.239  51.665  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.146 -17.896  49.191  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.733 -20.439  49.042  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.755 -18.936  48.931  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.128 -19.383  46.756  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.778 -19.922  46.291  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.910 -23.832  46.104  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.410 -22.248  46.789  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.550 -22.314  45.213  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.421 -25.517  46.639  1.00  0.00           H  
HETATM   69  H   UNL     1       1.732 -21.309  51.147  1.00  0.00           H  
HETATM   70  H   UNL     1       1.511 -19.787  50.218  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.145 -18.981  51.878  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.020 -20.528  52.783  1.00  0.00           H  
HETATM   73  H   UNL     1       2.151 -18.012  54.258  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.572 -18.213  49.844  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.054 -18.573  48.954  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.639 -18.724  48.123  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.530 -19.888  48.206  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.988 -29.188  47.771  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.773 -27.584  47.573  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.501 -28.110  46.419  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.112 -30.012  49.671  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.971 -29.631  51.006  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.046 -29.966  49.530  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.123 -30.168  48.107  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.685 -33.177  50.489  1.00  0.00           H  
CONECT    1    2   50                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    9    7    7    5                                       
CONECT    7   12    6    6    8                                       
CONECT    8    7   55   56   57                                       
CONECT    9   11   11   10    6                                       
CONECT   10   40   40    9   58                                       
CONECT   11   14    9    9   12                                       
CONECT   12   11   13   13    7                                       
CONECT   13   28   12   12   59                                       
CONECT   14   15   39   27   11                                       
CONECT   15   25   25   16   14                                       
CONECT   16   17   15   38   38                                       
CONECT   17   23   23   22   16                                       
CONECT   18   19   19                                                 
CONECT   19   18   18   21   20                                       
CONECT   20   19   60                                                 
CONECT   21   22   19   61   62                                       
CONECT   22   17   21   63   64                                       
CONECT   23   24   17   17   25                                       
CONECT   24   23   65   66   67                                       
CONECT   25   23   26   15   15                                       
CONECT   26   25   41   41   68                                       
CONECT   27   37   14   28                                            
CONECT   28   27   29   29   13                                       
CONECT   29   35   28   28   30                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   73                                                 
CONECT   35   36   37   37   29                                       
CONECT   36   35   74   75   76                                       
CONECT   37   38   35   35   27                                       
CONECT   38   16   16   37   77                                       
CONECT   39   41   14   40                                            
CONECT   40   39   44   10   10                                       
CONECT   41   26   26   42   39                                       
CONECT   42   43   41   44   44                                       
CONECT   43   42   78   79   80                                       
CONECT   44   42   42   45   40                                       
CONECT   45   46   44   81   82                                       
CONECT   46   47   45   83   84                                       
CONECT   47   49   49   46   48                                       
CONECT   48   47   85                                                 
CONECT   49   47   47                                                 
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   43                                                      
CONECT   79   43                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
CONECT   83   46                                                      
CONECT   84   46                                                      
CONECT   85   48                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
