COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.935   0.010   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1       5.331  -0.590  -0.060  1.00  0.00           C  
HETATM    3  C   UNL     1       6.340   0.239   0.741  1.00  0.00           C  
HETATM    4  C   UNL     1       6.204   1.709   0.327  1.00  0.00           C  
HETATM    5  C   UNL     1       4.743   2.136   0.479  1.00  0.00           C  
HETATM    6  C   UNL     1       4.604   3.612   0.100  1.00  0.00           C  
HETATM    7  C   UNL     1       4.950  -2.975  -0.390  1.00  0.00           C  
HETATM    8  C   UNL     1       4.957  -4.396   0.110  1.00  0.00           C  
HETATM    9  N   UNL     1       5.336  -1.973   0.425  1.00  0.00           N  
HETATM   10  O   UNL     1       6.073   0.108   2.139  1.00  0.00           O  
HETATM   11  O   UNL     1       7.030   2.521   1.164  1.00  0.00           O  
HETATM   12  O   UNL     1       3.917   1.347  -0.375  1.00  0.00           O  
HETATM   13  O   UNL     1       3.267   4.046   0.358  1.00  0.00           O  
HETATM   14  O   UNL     1       4.598  -2.732  -1.525  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.102  -0.254  -0.735  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.291   1.039  -0.852  1.00  0.00           C  
HETATM   17  C   UNL     1       1.156   0.689  -1.216  1.00  0.00           C  
HETATM   18  C   UNL     1       1.687  -0.323  -0.194  1.00  0.00           C  
HETATM   19  C   UNL     1       0.727  -1.513  -0.126  1.00  0.00           C  
HETATM   20  C   UNL     1       1.266  -2.543   0.868  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.889   2.717  -1.606  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.482   3.589  -2.682  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.868   1.886  -1.899  1.00  0.00           N  
HETATM   24  O   UNL     1       1.202   0.117  -2.525  1.00  0.00           O  
HETATM   25  O   UNL     1       2.982  -0.776  -0.595  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.561  -1.070   0.301  1.00  0.00           O  
HETATM   27  O   UNL     1       0.431  -3.703   0.852  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.329   2.763  -0.477  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.554  -1.362   0.316  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.598  -1.476   1.537  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.212  -1.786   0.952  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.188  -1.166  -0.452  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.645  -0.907  -0.860  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.982  -1.710  -2.118  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.649   0.512   1.564  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.119   2.581   2.782  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.133   2.446   1.245  1.00  0.00           C  
HETATM   38  N   UNL     1      -4.626  -0.104   2.073  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.960   1.818   1.857  1.00  0.00           N  
HETATM   40  O   UNL     1      -3.019  -3.199   0.870  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.461   0.064  -0.429  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.300  -1.375  -2.557  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.381  -0.249   0.727  1.00  0.00           O  
HETATM   44  H   UNL     1       3.678   0.014   1.182  1.00  0.00           H  
HETATM   45  H   UNL     1       5.601  -0.573  -1.116  1.00  0.00           H  
HETATM   46  H   UNL     1       7.351  -0.109   0.528  1.00  0.00           H  
HETATM   47  H   UNL     1       6.512   1.825  -0.712  1.00  0.00           H  
HETATM   48  H   UNL     1       4.430   1.998   1.515  1.00  0.00           H  
HETATM   49  H   UNL     1       5.300   4.206   0.691  1.00  0.00           H  
HETATM   50  H   UNL     1       4.828   3.737  -0.960  1.00  0.00           H  
HETATM   51  H   UNL     1       5.300  -4.417   1.144  1.00  0.00           H  
HETATM   52  H   UNL     1       3.948  -4.805   0.054  1.00  0.00           H  
HETATM   53  H   UNL     1       5.626  -4.995  -0.508  1.00  0.00           H  
HETATM   54  H   UNL     1       5.618  -2.167   1.333  1.00  0.00           H  
HETATM   55  H   UNL     1       6.723   0.655   2.600  1.00  0.00           H  
HETATM   56  H   UNL     1       6.908   3.436   0.874  1.00  0.00           H  
HETATM   57  H   UNL     1       3.223   4.979   0.106  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.061  -0.794  -1.681  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.310   1.570   0.099  1.00  0.00           H  
HETATM   60  H   UNL     1       1.768   1.590  -1.190  1.00  0.00           H  
HETATM   61  H   UNL     1       1.753   0.149   0.786  1.00  0.00           H  
HETATM   62  H   UNL     1       0.644  -1.969  -1.112  1.00  0.00           H  
HETATM   63  H   UNL     1       2.281  -2.822   0.587  1.00  0.00           H  
HETATM   64  H   UNL     1       1.271  -2.113   1.870  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.961   3.411  -3.623  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.539   3.350  -2.802  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.376   4.637  -2.400  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.516   1.850  -2.802  1.00  0.00           H  
HETATM   69  H   UNL     1       0.860   0.786  -3.134  1.00  0.00           H  
HETATM   70  H   UNL     1       0.805  -4.325   1.491  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.112  -2.274   0.102  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.923  -2.220   2.264  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.436  -1.338   1.572  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.724  -1.858  -1.155  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.792   0.156  -1.049  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.266  -1.472  -2.904  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.934  -2.775  -1.892  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.520   3.589   2.890  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.108   2.089   3.755  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.103   2.634   2.391  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.218   3.475   1.594  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.024   2.438   0.160  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.029   1.893   1.524  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.069  -3.541   1.773  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.473  -1.902  -3.349  1.00  0.00           H  
CONECT    1    2   12   25   44                                       
CONECT    2    1    3    9   45                                       
CONECT    3    2    4   10   46                                       
CONECT    4    3    5   11   47                                       
CONECT    5    4    6   12   48                                       
CONECT    6    5   13   49   50                                       
CONECT    7    8    9   14   14                                       
CONECT    8    7   51   52   53                                       
CONECT    9    2    7   54                                            
CONECT   10    3   55                                                 
CONECT   11    4   56                                                 
CONECT   12    1    5                                                 
CONECT   13    6   57                                                 
CONECT   14    7    7                                                 
CONECT   15   16   26   41   58                                       
CONECT   16   15   17   23   59                                       
CONECT   17   16   18   24   60                                       
CONECT   18   17   19   25   61                                       
CONECT   19   18   20   26   62                                       
CONECT   20   19   27   63   64                                       
CONECT   21   22   23   28   28                                       
CONECT   22   21   65   66   67                                       
CONECT   23   16   21   68                                            
CONECT   24   17   69                                                 
CONECT   25    1   18                                                 
CONECT   26   15   19                                                 
CONECT   27   20   70                                                 
CONECT   28   21   21                                                 
CONECT   29   30   33   43   71                                       
CONECT   30   29   31   38   72                                       
CONECT   31   30   32   40   73                                       
CONECT   32   31   33   41   74                                       
CONECT   33   29   32   34   75                                       
CONECT   34   33   42   76   77                                       
CONECT   35   38   38   39   43                                       
CONECT   36   39   78   79   80                                       
CONECT   37   39   81   82   83                                       
CONECT   38   30   35   35                                            
CONECT   39   35   36   37                                            
CONECT   40   31   84                                                 
CONECT   41   15   32                                                 
CONECT   42   34   85                                                 
CONECT   43   29   35                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
