COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.263   6.680  -1.992  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.943   5.405  -1.564  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.634   4.827  -0.384  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.261   3.670  -0.011  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.925   3.043   1.270  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.150   3.073   2.205  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.412   1.583   2.534  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.751   1.417   3.912  1.00  0.00           O  
HETATM    9  C   UNL     1      -6.040   0.935   2.221  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.207  -0.550   1.892  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.921  -1.149   1.722  1.00  0.00           O  
HETATM   12  P   UNL     1      -4.719  -2.706   1.366  1.00  0.00           P  
HETATM   13  O   UNL     1      -5.229  -3.572   2.539  1.00  0.00           O1-
HETATM   14  O   UNL     1      -5.515  -3.050   0.087  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.155  -3.001   1.120  1.00  0.00           O  
HETATM   16  P   UNL     1      -2.343  -4.171   0.369  1.00  0.00           P  
HETATM   17  O   UNL     1      -2.359  -5.449   1.236  1.00  0.00           O1-
HETATM   18  O   UNL     1      -3.007  -4.465  -0.995  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.821  -3.701   0.134  1.00  0.00           O  
HETATM   20  P   UNL     1       0.354  -4.171  -0.862  1.00  0.00           P  
HETATM   21  O   UNL     1       0.936  -5.516  -0.374  1.00  0.00           O1-
HETATM   22  O   UNL     1      -0.218  -4.344  -2.287  1.00  0.00           O  
HETATM   23  O   UNL     1       1.517  -3.058  -0.882  1.00  0.00           O  
HETATM   24  P   UNL     1       2.708  -2.704  -1.906  1.00  0.00           P  
HETATM   25  O   UNL     1       3.834  -3.753  -1.770  1.00  0.00           O1-
HETATM   26  O   UNL     1       2.165  -2.716  -3.352  1.00  0.00           O  
HETATM   27  O   UNL     1       3.293  -1.243  -1.564  1.00  0.00           O  
HETATM   28  C   UNL     1       4.289  -0.598  -2.360  1.00  0.00           C  
HETATM   29  C   UNL     1       4.616   0.770  -1.758  1.00  0.00           C  
HETATM   30  O   UNL     1       5.249   0.602  -0.478  1.00  0.00           O  
HETATM   31  C   UNL     1       6.204   1.676  -0.336  1.00  0.00           C  
HETATM   32  C   UNL     1       6.828   1.793  -1.750  1.00  0.00           C  
HETATM   33  O   UNL     1       7.347   3.106  -1.971  1.00  0.00           O  
HETATM   34  C   UNL     1       5.610   1.518  -2.666  1.00  0.00           C  
HETATM   35  O   UNL     1       5.042   2.747  -3.124  1.00  0.00           O  
HETATM   36  N   UNL     1       7.228   1.328   0.652  1.00  0.00           N  
HETATM   37  C   UNL     1       7.591   0.069   1.029  1.00  0.00           C  
HETATM   38  N   UNL     1       8.531   0.127   1.927  1.00  0.00           N  
HETATM   39  C   UNL     1       8.830   1.423   2.183  1.00  0.00           C  
HETATM   40  C   UNL     1       8.002   2.209   1.364  1.00  0.00           C  
HETATM   41  N   UNL     1       8.105   3.533   1.422  1.00  0.00           N  
HETATM   42  C   UNL     1       8.972   4.104   2.231  1.00  0.00           C  
HETATM   43  N   UNL     1       9.773   3.407   3.017  1.00  0.00           N  
HETATM   44  C   UNL     1       9.736   2.079   3.034  1.00  0.00           C  
HETATM   45  N   UNL     1      10.581   1.358   3.860  1.00  0.00           N  
HETATM   46  O   UNL     1      -5.580   1.663   1.062  1.00  0.00           O  
HETATM   47  C   UNL     1      -7.185   3.103  -0.809  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.730   2.075  -0.457  1.00  0.00           O  
HETATM   49  N   UNL     1      -7.513   3.659  -1.990  1.00  0.00           N  
HETATM   50  C   UNL     1      -6.920   4.801  -2.392  1.00  0.00           C  
HETATM   51  O   UNL     1      -7.220   5.306  -3.459  1.00  0.00           O  
HETATM   52  H   UNL     1      -4.362   6.440  -2.557  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.940   7.261  -2.618  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.994   7.262  -1.110  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.894   5.276   0.262  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.092   3.571   1.733  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.922   3.630   3.114  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.009   3.508   1.695  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.192   1.174   1.892  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.557   1.882   4.178  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.353   1.066   3.057  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.734  -1.046   2.707  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.782  -0.655   0.971  1.00  0.00           H  
HETATM   64  H   UNL     1       5.191  -1.211  -2.379  1.00  0.00           H  
HETATM   65  H   UNL     1       3.916  -0.468  -3.375  1.00  0.00           H  
HETATM   66  H   UNL     1       3.702   1.353  -1.645  1.00  0.00           H  
HETATM   67  H   UNL     1       5.702   2.603  -0.060  1.00  0.00           H  
HETATM   68  H   UNL     1       7.603   1.041  -1.897  1.00  0.00           H  
HETATM   69  H   UNL     1       7.748   3.229  -2.843  1.00  0.00           H  
HETATM   70  H   UNL     1       5.901   0.893  -3.510  1.00  0.00           H  
HETATM   71  H   UNL     1       5.626   3.259  -3.700  1.00  0.00           H  
HETATM   72  H   UNL     1       7.161  -0.842   0.640  1.00  0.00           H  
HETATM   73  H   UNL     1       9.031   5.182   2.253  1.00  0.00           H  
HETATM   74  H   UNL     1      10.552   0.388   3.856  1.00  0.00           H  
HETATM   75  H   UNL     1      11.202   1.822   4.443  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.180   3.237  -2.553  1.00  0.00           H  
CONECT    1    2   52   53   54                                       
CONECT    2    1    3    3   50                                       
CONECT    3    2    2    4   55                                       
CONECT    4    3    5   47                                            
CONECT    5    4    6   46   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8    9   59                                       
CONECT    8    7   60                                                 
CONECT    9    7   10   46   61                                       
CONECT   10    9   11   62   63                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   14                                       
CONECT   12   15                                                      
CONECT   13   12                                                      
CONECT   14   12   12                                                 
CONECT   15   12   16                                                 
CONECT   16   15   17   18   18                                       
CONECT   16   19                                                      
CONECT   17   16                                                      
CONECT   18   16   16                                                 
CONECT   19   16   20                                                 
CONECT   20   19   21   22   22                                       
CONECT   20   23                                                      
CONECT   21   20                                                      
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24                                                      
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   64   65                                       
CONECT   29   28   30   34   66                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   36   67                                       
CONECT   32   31   33   34   68                                       
CONECT   33   32   69                                                 
CONECT   34   29   32   35   70                                       
CONECT   35   34   71                                                 
CONECT   36   31   37   40                                            
CONECT   37   36   38   38   72                                       
CONECT   38   37   37   39                                            
CONECT   39   38   40   40   44                                       
CONECT   40   36   39   39   41                                       
CONECT   41   40   42   42                                            
CONECT   42   41   41   43   73                                       
CONECT   43   42   44   44                                            
CONECT   44   39   43   43   45                                       
CONECT   45   44   74   75                                            
CONECT   46    5    9                                                 
CONECT   47    4   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   76                                            
CONECT   50    2   49   51   51                                       
CONECT   51   50   50                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   42                                                      
CONECT   74   45                                                      
CONECT   75   45                                                      
CONECT   76   49                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
