COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.193  -5.785  -0.243  1.00  0.00           O  
HETATM    2  C   UNL     1      12.436  -4.592  -0.315  1.00  0.00           C  
HETATM    3  N   UNL     1      13.695  -4.154  -0.535  1.00  0.00           N  
HETATM    4  C   UNL     1      13.956  -2.818  -0.608  1.00  0.00           C  
HETATM    5  N   UNL     1      15.245  -2.402  -0.826  1.00  0.00           N  
HETATM    6  N   UNL     1      13.008  -1.917  -0.479  1.00  0.00           N  
HETATM    7  C   UNL     1      11.737  -2.276  -0.265  1.00  0.00           C  
HETATM    8  C   UNL     1      11.405  -3.633  -0.175  1.00  0.00           C  
HETATM    9  N   UNL     1      10.070  -3.708   0.042  1.00  0.00           N  
HETATM   10  C   UNL     1       9.573  -2.506   0.089  1.00  0.00           C  
HETATM   11  N   UNL     1      10.566  -1.588  -0.095  1.00  0.00           N  
HETATM   12  C   UNL     1      10.408  -0.132  -0.109  1.00  0.00           C  
HETATM   13  O   UNL     1       9.040   0.228  -0.399  1.00  0.00           O  
HETATM   14  C   UNL     1      10.649   0.457   1.305  1.00  0.00           C  
HETATM   15  O   UNL     1      12.037   0.712   1.527  1.00  0.00           O  
HETATM   16  C   UNL     1       9.845   1.781   1.244  1.00  0.00           C  
HETATM   17  O   UNL     1      10.713   2.879   0.954  1.00  0.00           O  
HETATM   18  C   UNL     1       8.845   1.565   0.092  1.00  0.00           C  
HETATM   19  C   UNL     1       7.413   1.727   0.606  1.00  0.00           C  
HETATM   20  O   UNL     1       6.499   1.625  -0.489  1.00  0.00           O  
HETATM   21  P   UNL     1       5.020   1.804   0.121  1.00  0.00           P  
HETATM   22  O   UNL     1       4.810   0.815   1.202  1.00  0.00           O  
HETATM   23  O   UNL     1       4.861   3.291   0.716  1.00  0.00           O  
HETATM   24  O   UNL     1       3.929   1.570  -1.040  1.00  0.00           O  
HETATM   25  P   UNL     1       2.509   1.365  -0.309  1.00  0.00           P  
HETATM   26  O   UNL     1       2.347   2.386   0.750  1.00  0.00           O  
HETATM   27  O   UNL     1       2.451  -0.104   0.348  1.00  0.00           O  
HETATM   28  O   UNL     1       1.324   1.517  -1.388  1.00  0.00           O  
HETATM   29  P   UNL     1      -0.020   1.834  -0.560  1.00  0.00           P  
HETATM   30  O   UNL     1      -0.049   1.011   0.669  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.050   3.394  -0.162  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.304   1.488  -1.469  1.00  0.00           O  
HETATM   33  P   UNL     1      -2.574   1.440  -0.480  1.00  0.00           P  
HETATM   34  O   UNL     1      -2.530   2.601   0.437  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.535   0.077   0.377  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.930   1.491  -1.346  1.00  0.00           O  
HETATM   37  P   UNL     1      -5.101   1.969  -0.350  1.00  0.00           P  
HETATM   38  O   UNL     1      -4.922   1.322   0.969  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.036   3.568  -0.176  1.00  0.00           O  
HETATM   40  O   UNL     1      -6.530   1.553  -0.962  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.514   1.896   0.016  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.903   1.525  -0.507  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.018   0.096  -0.619  1.00  0.00           O  
HETATM   44  C   UNL     1      -9.981   1.997   0.489  1.00  0.00           C  
HETATM   45  O   UNL     1     -10.874   2.923  -0.133  1.00  0.00           O  
HETATM   46  C   UNL     1     -10.732   0.696   0.876  1.00  0.00           C  
HETATM   47  O   UNL     1     -12.140   0.924   0.951  1.00  0.00           O  
HETATM   48  C   UNL     1     -10.386  -0.243  -0.308  1.00  0.00           C  
HETATM   49  N   UNL     1     -10.491  -1.648   0.095  1.00  0.00           N  
HETATM   50  C   UNL     1      -9.488  -2.416   0.610  1.00  0.00           C  
HETATM   51  N   UNL     1      -9.932  -3.614   0.856  1.00  0.00           N  
HETATM   52  C   UNL     1     -11.242  -3.685   0.516  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.614  -2.427   0.031  1.00  0.00           C  
HETATM   54  N   UNL     1     -12.869  -2.221  -0.385  1.00  0.00           N  
HETATM   55  C   UNL     1     -13.767  -3.180  -0.337  1.00  0.00           C  
HETATM   56  N   UNL     1     -15.043  -2.921  -0.770  1.00  0.00           N  
HETATM   57  N   UNL     1     -13.466  -4.425   0.130  1.00  0.00           N  
HETATM   58  C   UNL     1     -12.218  -4.709   0.562  1.00  0.00           C  
HETATM   59  O   UNL     1     -11.939  -5.819   0.982  1.00  0.00           O  
HETATM   60  H   UNL     1      14.418  -4.793  -0.634  1.00  0.00           H  
HETATM   61  H   UNL     1      15.446  -1.454  -0.884  1.00  0.00           H  
HETATM   62  H   UNL     1      15.956  -3.055  -0.919  1.00  0.00           H  
HETATM   63  H   UNL     1       8.532  -2.271   0.251  1.00  0.00           H  
HETATM   64  H   UNL     1      11.085   0.320  -0.833  1.00  0.00           H  
HETATM   65  H   UNL     1      10.249  -0.206   2.072  1.00  0.00           H  
HETATM   66  H   UNL     1      12.105   1.160   2.382  1.00  0.00           H  
HETATM   67  H   UNL     1       9.317   1.951   2.182  1.00  0.00           H  
HETATM   68  H   UNL     1      11.314   2.966   1.706  1.00  0.00           H  
HETATM   69  H   UNL     1       9.036   2.284  -0.704  1.00  0.00           H  
HETATM   70  H   UNL     1       7.197   0.944   1.333  1.00  0.00           H  
HETATM   71  H   UNL     1       7.305   2.702   1.080  1.00  0.00           H  
HETATM   72  H   UNL     1       5.005   3.903  -0.019  1.00  0.00           H  
HETATM   73  H   UNL     1       2.560  -0.738  -0.374  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.030   3.894  -0.990  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.565  -0.653  -0.257  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.157   3.951  -1.056  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.315   1.351   0.938  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.474   2.968   0.211  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.069   1.987  -1.480  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.518   2.446   1.367  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.557   3.134   0.519  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.354   0.292   1.815  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.288   1.512   1.704  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.035  -0.040  -1.161  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.476  -2.081   0.786  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.716  -3.619  -0.742  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.272  -2.040  -1.105  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.152  -5.111   0.151  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4   60                                            
CONECT    4    3    5    6    6                                       
CONECT    5    4   61   62                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   11                                       
CONECT    8    2    7    7    9                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   63                                       
CONECT   11    7   10   12                                            
CONECT   12   11   13   14   64                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   65                                       
CONECT   15   14   66                                                 
CONECT   16   14   17   18   67                                       
CONECT   17   16   68                                                 
CONECT   18   13   16   19   69                                       
CONECT   19   18   20   70   71                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   72                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   25   28                                                      
CONECT   26   25   25                                                 
CONECT   27   25   73                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   29   32                                                      
CONECT   30   29   29                                                 
CONECT   31   29   74                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   33   36                                                      
CONECT   34   33   33                                                 
CONECT   35   33   75                                                 
CONECT   36   33   37                                                 
CONECT   37   36   38   38   39                                       
CONECT   37   40                                                      
CONECT   38   37   37                                                 
CONECT   39   37   76                                                 
CONECT   40   37   41                                                 
CONECT   41   40   42   77   78                                       
CONECT   42   41   43   44   79                                       
CONECT   43   42   48                                                 
CONECT   44   42   45   46   80                                       
CONECT   45   44   81                                                 
CONECT   46   44   47   48   82                                       
CONECT   47   46   83                                                 
CONECT   48   43   46   49   84                                       
CONECT   49   48   50   53                                            
CONECT   50   49   51   51   85                                       
CONECT   51   50   50   52                                            
CONECT   52   51   53   53   58                                       
CONECT   53   49   52   52   54                                       
CONECT   54   53   55   55                                            
CONECT   55   54   54   56   57                                       
CONECT   56   55   86   87                                            
CONECT   57   55   58   88                                            
CONECT   58   52   57   59   59                                       
CONECT   59   58   58                                                 
CONECT   60    3                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63   10                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   23                                                      
CONECT   73   27                                                      
CONECT   74   31                                                      
CONECT   75   35                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   44                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   50                                                      
CONECT   86   56                                                      
CONECT   87   56                                                      
CONECT   88   57                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
