COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.001   5.276   2.139  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.612   3.946   2.034  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.637   3.170   3.116  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.212   1.724   2.963  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.801   1.283   1.621  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.376  -0.099   1.384  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.461   0.285  -3.260  1.00  0.00           O  
HETATM    8  O   UNL     1      -0.521  -0.165  -1.710  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.038  -1.422   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.326  -1.299  -1.316  1.00  0.00           C  
HETATM   11  C   UNL     1       3.325   0.899  -1.732  1.00  0.00           C  
HETATM   12  C   UNL     1       4.307   0.547  -0.613  1.00  0.00           C  
HETATM   13  C   UNL     1       5.672   1.169  -0.918  1.00  0.00           C  
HETATM   14  C   UNL     1       7.817   1.422   0.089  1.00  0.00           C  
HETATM   15  C   UNL     1       3.596  -1.538   0.296  1.00  0.00           C  
HETATM   16  C   UNL     1       3.677  -3.036   0.440  1.00  0.00           C  
HETATM   17  C   UNL     1       2.609  -3.512   1.426  1.00  0.00           C  
HETATM   18  C   UNL     1       2.691  -5.033   1.572  1.00  0.00           C  
HETATM   19  C   UNL     1       1.622  -5.509   2.559  1.00  0.00           C  
HETATM   20  C   UNL     1       1.704  -7.030   2.705  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.478  -1.930  -0.179  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.366  -0.820   0.434  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.825   2.179   0.614  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.210   3.448   0.804  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.129  -0.130   0.656  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.964  -0.924  -1.103  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.670  -2.103  -3.064  1.00  0.00           O  
HETATM   28  O   UNL     1       0.396   2.180  -2.467  1.00  0.00           O  
HETATM   29  O   UNL     1       1.033   0.063  -3.686  1.00  0.00           O  
HETATM   30  O   UNL     1       2.023   0.417  -1.391  1.00  0.00           O  
HETATM   31  O   UNL     1       6.570   0.936   0.198  1.00  0.00           O  
HETATM   32  O   UNL     1       8.146   2.022  -0.907  1.00  0.00           O  
HETATM   33  O   UNL     1       4.443  -0.896  -0.524  1.00  0.00           O  
HETATM   34  O   UNL     1       2.769  -0.915   0.918  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.678  -3.167   0.507  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.455  -1.385   1.166  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.488   1.825  -0.499  1.00  0.00           O  
HETATM   38  P   UNL     1      -1.916  -0.705  -2.305  1.00  0.00           P  
HETATM   39  P   UNL     1       0.739   0.612  -2.343  1.00  0.00           P  
HETATM   40  H   UNL     1      -7.990   5.848   1.355  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.288   5.632   2.994  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.950   3.559   4.074  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.379   1.546   3.644  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.042   1.095   3.283  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.286  -0.639   2.326  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.494  -2.109   0.680  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.362  -2.258  -1.834  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.821  -0.540  -1.921  1.00  0.00           H  
HETATM   49  H   UNL     1       3.290   1.981  -1.858  1.00  0.00           H  
HETATM   50  H   UNL     1       3.652   0.434  -2.662  1.00  0.00           H  
HETATM   51  H   UNL     1       3.934   0.936   0.334  1.00  0.00           H  
HETATM   52  H   UNL     1       6.085   0.715  -1.819  1.00  0.00           H  
HETATM   53  H   UNL     1       5.555   2.242  -1.073  1.00  0.00           H  
HETATM   54  H   UNL     1       3.510  -3.504  -0.530  1.00  0.00           H  
HETATM   55  H   UNL     1       4.663  -3.313   0.811  1.00  0.00           H  
HETATM   56  H   UNL     1       2.776  -3.045   2.397  1.00  0.00           H  
HETATM   57  H   UNL     1       1.622  -3.236   1.055  1.00  0.00           H  
HETATM   58  H   UNL     1       2.523  -5.501   0.602  1.00  0.00           H  
HETATM   59  H   UNL     1       3.677  -5.310   1.944  1.00  0.00           H  
HETATM   60  H   UNL     1       1.789  -5.041   3.529  1.00  0.00           H  
HETATM   61  H   UNL     1       0.636  -5.232   2.187  1.00  0.00           H  
HETATM   62  H   UNL     1       1.537  -7.498   1.735  1.00  0.00           H  
HETATM   63  H   UNL     1       2.691  -7.306   3.076  1.00  0.00           H  
HETATM   64  H   UNL     1       0.943  -7.369   3.408  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.689  -2.044  -1.243  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.728  -0.141  -0.338  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.212   4.047   0.042  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.312  -2.801  -2.498  1.00  0.00           H  
HETATM   69  H   UNL     1       0.193   2.606  -1.624  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.567  -3.532   0.408  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.102  -1.847   0.615  1.00  0.00           H  
HETATM   72  C   UNL     1       8.806   1.219   1.207  1.00  0.00           C  
HETATM   73  C   UNL     1      10.141   1.865   0.832  1.00  0.00           C  
HETATM   74  C   UNL     1      11.145   1.659   1.968  1.00  0.00           C  
HETATM   75  C   UNL     1      12.479   2.306   1.592  1.00  0.00           C  
HETATM   76  C   UNL     1      13.483   2.099   2.728  1.00  0.00           C  
HETATM   77  H   UNL     1       8.423   1.678   2.119  1.00  0.00           H  
HETATM   78  H   UNL     1       8.953   0.151   1.373  1.00  0.00           H  
HETATM   79  H   UNL     1      10.523   1.406  -0.079  1.00  0.00           H  
HETATM   80  H   UNL     1       9.993   2.932   0.666  1.00  0.00           H  
HETATM   81  H   UNL     1      10.762   2.118   2.879  1.00  0.00           H  
HETATM   82  H   UNL     1      11.292   0.591   2.133  1.00  0.00           H  
HETATM   83  H   UNL     1      12.862   1.846   0.681  1.00  0.00           H  
HETATM   84  H   UNL     1      12.332   3.373   1.427  1.00  0.00           H  
HETATM   85  H   UNL     1      13.101   2.559   3.639  1.00  0.00           H  
HETATM   86  H   UNL     1      13.631   1.032   2.894  1.00  0.00           H  
HETATM   87  H   UNL     1      14.434   2.560   2.461  1.00  0.00           H  
CONECT    1    2   40   41                                            
CONECT    2    3    3   24    1                                       
CONECT    3    4    2    2   42                                       
CONECT    4    5    3   43   44                                       
CONECT    5    6    4   23                                            
CONECT    6   25   22    5   45                                       
CONECT    7   38   38                                                 
CONECT    8   38   39                                                 
CONECT    9   10   25   21   46                                       
CONECT   10   26    9   47   48                                       
CONECT   11   12   30   49   50                                       
CONECT   12   13   33   11   51                                       
CONECT   13   31   12   52   53                                       
CONECT   14   32   32   31   72                                       
CONECT   15   33   16   34   34                                       
CONECT   16   17   15   54   55                                       
CONECT   17   18   16   56   57                                       
CONECT   18   19   17   58   59                                       
CONECT   19   20   18   60   61                                       
CONECT   20   19   62   63   64                                       
CONECT   21    9   35   22   65                                       
CONECT   22   21   36    6   66                                       
CONECT   23    5   37   37   24                                       
CONECT   24   23    2   67                                            
CONECT   25    9    6                                                 
CONECT   26   38   10                                                 
CONECT   27   38   68                                                 
CONECT   28   39   69                                                 
CONECT   29   39   39                                                 
CONECT   30   11   39                                                 
CONECT   31   14   13                                                 
CONECT   32   14   14                                                 
CONECT   33   12   15                                                 
CONECT   34   15   15                                                 
CONECT   35   21   70                                                 
CONECT   36   22   71                                                 
CONECT   37   23   23                                                 
CONECT   38    7    7    8   26                                       
CONECT   38   27                                                      
CONECT   39   30    8   29   29                                       
CONECT   39   28                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   14   73   77   78                                       
CONECT   73   72   74   79   80                                       
CONECT   74   73   75   81   82                                       
CONECT   75   74   76   83   84                                       
CONECT   76   75   85   86   87                                       
CONECT   77   72                                                      
CONECT   78   72                                                      
CONECT   79   73                                                      
CONECT   80   73                                                      
CONECT   81   74                                                      
CONECT   82   74                                                      
CONECT   83   75                                                      
CONECT   84   75                                                      
CONECT   85   76                                                      
CONECT   86   76                                                      
CONECT   87   76                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
