COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.556   3.745  -1.425  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.579  -2.432  -0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       1.618   0.275   0.394  1.00  0.00           C  
HETATM    4  C   UNL     1       3.882   1.406   0.450  1.00  0.00           C  
HETATM    5  C   UNL     1       4.701   3.478   1.014  1.00  0.00           C  
HETATM    6  C   UNL     1       6.235   1.909   0.299  1.00  0.00           C  
HETATM    7  O   UNL     1       0.745   2.185  -0.877  1.00  0.00           O  
HETATM    8  C   UNL     1       0.892   0.763  -0.885  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.484   0.065  -0.764  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.479   0.981  -0.202  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.216   1.759  -1.019  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.240   2.702  -0.441  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.512   1.924  -0.096  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.504   2.855   0.604  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.757   2.089   0.944  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.773   2.706   1.567  1.00  0.00           O  
HETATM   17  O   UNL     1      -6.847   0.919   0.655  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.056   1.700  -2.220  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.227  -1.110   0.200  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.450  -3.503   0.451  1.00  0.00           O  
HETATM   21  P   UNL     1      -0.743  -5.040   0.071  1.00  0.00           P  
HETATM   22  O   UNL     1      -2.108  -5.158  -0.490  1.00  0.00           O  
HETATM   23  O   UNL     1       0.330  -5.537  -1.021  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.625  -5.952   1.393  1.00  0.00           O  
HETATM   25  O   UNL     1       1.171  -1.090   0.539  1.00  0.00           O  
HETATM   26  N   UNL     1       3.072   0.325   0.213  1.00  0.00           N  
HETATM   27  N   UNL     1       3.688   2.648   0.880  1.00  0.00           N  
HETATM   28  N   UNL     1       5.944   3.130   0.735  1.00  0.00           N  
HETATM   29  N   UNL     1       7.541   1.554   0.009  1.00  0.00           N  
HETATM   30  C   UNL     1       5.187   0.987   0.139  1.00  0.00           C  
HETATM   31  N   UNL     1       5.106  -0.302  -0.269  1.00  0.00           N  
HETATM   32  C   UNL     1       3.866  -0.694  -0.221  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.746   4.314  -1.621  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.929   3.343  -2.272  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.606  -2.390  -0.850  1.00  0.00           H  
HETATM   36  H   UNL     1       0.097  -2.598  -1.324  1.00  0.00           H  
HETATM   37  H   UNL     1       1.319   0.871   1.256  1.00  0.00           H  
HETATM   38  H   UNL     1       4.509   4.481   1.366  1.00  0.00           H  
HETATM   39  H   UNL     1       1.584   2.667  -0.861  1.00  0.00           H  
HETATM   40  H   UNL     1       1.419   0.434  -1.781  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.810  -0.304  -1.737  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.607   1.028   0.759  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.840   3.163   0.462  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.961   1.537  -1.011  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.263   1.094   0.565  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.056   3.241   1.519  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.754   3.684  -0.057  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.556   2.174   1.764  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.829  -0.988   1.101  1.00  0.00           H  
HETATM   50  H   UNL     1       1.248  -5.488  -0.722  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.790  -6.892   1.238  1.00  0.00           H  
HETATM   52  H   UNL     1       8.256   2.199   0.124  1.00  0.00           H  
HETATM   53  H   UNL     1       7.741   0.659  -0.309  1.00  0.00           H  
HETATM   54  H   UNL     1       3.517  -1.681  -0.490  1.00  0.00           H  
CONECT    1   12   33   34                                            
CONECT    2   20   19   35   36                                       
CONECT    3    8   25   26   37                                       
CONECT    4   26   30   30   27                                       
CONECT    5   27   27   28   38                                       
CONECT    6   30   28   28   29                                       
CONECT    7    8   39                                                 
CONECT    8    9    7    3   40                                       
CONECT    9   10   19    8   41                                       
CONECT   10   11    9   42                                            
CONECT   11   12   18   18   10                                       
CONECT   12   13    1   11   43                                       
CONECT   13   14   12   44   45                                       
CONECT   14   15   13   46   47                                       
CONECT   15   17   17   16   14                                       
CONECT   16   15   48                                                 
CONECT   17   15   15                                                 
CONECT   18   11   11                                                 
CONECT   19    2    9   25   49                                       
CONECT   20   21    2                                                 
CONECT   21   22   22   23   24                                       
CONECT   21   20                                                      
CONECT   22   21   21                                                 
CONECT   23   21   50                                                 
CONECT   24   21   51                                                 
CONECT   25   19    3                                                 
CONECT   26    3   32    4                                            
CONECT   27    4    5    5                                            
CONECT   28    6    6    5                                            
CONECT   29    6   52   53                                            
CONECT   30   31    4    4    6                                       
CONECT   31   32   32   30                                            
CONECT   32   26   31   31   54                                       
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   32                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
