COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.186  -0.590   5.370  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.246   0.226   6.663  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.366   1.113   6.616  1.00  0.00           O  
HETATM    4  C   UNL     1       1.047   1.037   6.804  1.00  0.00           C  
HETATM    5  O   UNL     1       1.068   1.689   8.075  1.00  0.00           O  
HETATM    6  C   UNL     1       2.239   0.081   6.688  1.00  0.00           C  
HETATM    7  O   UNL     1       3.454   0.832   6.665  1.00  0.00           O  
HETATM    8  C   UNL     1       2.111  -0.725   5.394  1.00  0.00           C  
HETATM    9  O   UNL     1       0.912  -1.497   5.423  1.00  0.00           O  
HETATM   10  P   UNL     1      -0.739  -0.407   2.999  1.00  0.00           P  
HETATM   11  O   UNL     1      -2.174  -0.611   3.299  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.044  -1.830   2.707  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.021   0.292   4.259  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.591   0.537   1.704  1.00  0.00           O  
HETATM   15  P   UNL     1      -1.327  -0.219   0.488  1.00  0.00           P  
HETATM   16  O   UNL     1      -2.752  -0.426   0.827  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.622  -1.645   0.239  1.00  0.00           O  
HETATM   18  O   UNL     1      -1.217   0.674  -0.845  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.885  -0.046  -1.882  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.816   0.752  -3.185  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.446   0.925  -3.581  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.528  -0.020  -4.312  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.617   0.739  -4.839  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.428  -0.213  -5.389  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.959  -0.012  -6.700  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.418   0.904  -5.024  1.00  0.00           C  
HETATM   27  N   UNL     1       0.923   0.569  -5.509  1.00  0.00           N  
HETATM   28  C   UNL     1       1.584   1.443  -6.329  1.00  0.00           C  
HETATM   29  C   UNL     1       1.495  -0.590  -5.140  1.00  0.00           C  
HETATM   30  O   UNL     1       0.889  -1.352  -4.411  1.00  0.00           O  
HETATM   31  N   UNL     1       2.724  -0.924  -5.575  1.00  0.00           N  
HETATM   32  C   UNL     1       3.409  -0.091  -6.384  1.00  0.00           C  
HETATM   33  O   UNL     1       4.523  -0.390  -6.774  1.00  0.00           O  
HETATM   34  C   UNL     1       2.820   1.135  -6.776  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.114  -1.151   5.253  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.348  -0.445   7.515  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.155   0.562   6.522  1.00  0.00           H  
HETATM   38  H   UNL     1       1.100   1.782   6.010  1.00  0.00           H  
HETATM   39  H   UNL     1       1.897   2.185   8.121  1.00  0.00           H  
HETATM   40  H   UNL     1       2.246  -0.597   7.542  1.00  0.00           H  
HETATM   41  H   UNL     1       4.177   0.194   6.589  1.00  0.00           H  
HETATM   42  H   UNL     1       2.082  -0.043   4.544  1.00  0.00           H  
HETATM   43  H   UNL     1       2.968  -1.390   5.295  1.00  0.00           H  
HETATM   44  H   UNL     1       0.886  -1.652   2.516  1.00  0.00           H  
HETATM   45  H   UNL     1       0.302  -1.465   0.021  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.400  -1.012  -2.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.928  -0.199  -1.604  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.288   1.725  -3.048  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.879  -0.986  -3.948  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.981   0.231  -5.577  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.967  -1.197  -5.304  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.577  -0.737  -6.865  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.743   1.862  -5.429  1.00  0.00           H  
HETATM   54  H   UNL     1       1.119   2.374  -6.618  1.00  0.00           H  
HETATM   55  H   UNL     1       3.120  -1.767  -5.302  1.00  0.00           H  
HETATM   56  H   UNL     1       3.353   1.815  -7.424  1.00  0.00           H  
CONECT    1    2    9   13   35                                       
CONECT    2    1    3    4   36                                       
CONECT    3    2   37                                                 
CONECT    4    2    5    6   38                                       
CONECT    5    4   39                                                 
CONECT    6    4    7    8   40                                       
CONECT    7    6   41                                                 
CONECT    8    6    9   42   43                                       
CONECT    9    1    8                                                 
CONECT   10   11   11   12   13                                       
CONECT   10   14                                                      
CONECT   11   10   10                                                 
CONECT   12   10   44                                                 
CONECT   13    1   10                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   15   18                                                      
CONECT   16   15   15                                                 
CONECT   17   15   45                                                 
CONECT   18   15   19                                                 
CONECT   19   18   20   46   47                                       
CONECT   20   19   21   22   48                                       
CONECT   21   20   26                                                 
CONECT   22   20   23   24   49                                       
CONECT   23   22   50                                                 
CONECT   24   22   25   26   51                                       
CONECT   25   24   52                                                 
CONECT   26   21   24   27   53                                       
CONECT   27   26   28   29                                            
CONECT   28   27   34   34   54                                       
CONECT   29   27   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   55                                            
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   28   28   32   56                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   12                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
