COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.596  -1.080  -0.159  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.925  -0.452  -0.489  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.088   0.240  -1.675  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.307   0.816  -1.977  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.365   0.700  -1.094  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.203   0.007   0.091  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.984  -0.573   0.391  1.00  0.00           C  
HETATM    8  O   UNL     1       0.475  -0.212  -0.535  1.00  0.00           O  
HETATM    9  P   UNL     1       0.818   0.388   0.774  1.00  0.00           P  
HETATM   10  N   UNL     1       2.353  -0.121   1.240  1.00  0.00           N  
HETATM   11  C   UNL     1       3.346   0.186   0.202  1.00  0.00           C  
HETATM   12  C   UNL     1       4.023   1.520   0.524  1.00  0.00           C  
HETATM   13  C   UNL     1       4.954   1.910  -0.627  1.00  0.00           C  
HETATM   14  C   UNL     1       4.123   2.217  -1.874  1.00  0.00           C  
HETATM   15  C   UNL     1       5.760   3.150  -0.233  1.00  0.00           C  
HETATM   16  C   UNL     1       4.384  -0.906   0.161  1.00  0.00           C  
HETATM   17  O   UNL     1       4.456  -1.709   1.067  1.00  0.00           O  
HETATM   18  O   UNL     1       0.799   1.993   0.650  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.402  -0.140   2.023  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.738   0.304   1.617  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.549  -0.533   0.940  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.777  -0.126   0.568  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.171  -1.655   0.665  1.00  0.00           O  
HETATM   24  N   UNL     1       5.231  -0.992  -0.884  1.00  0.00           N  
HETATM   25  C   UNL     1       6.167  -2.115  -0.979  1.00  0.00           C  
HETATM   26  N   UNL     1       5.582  -3.170  -1.817  1.00  0.00           N  
HETATM   27  H   UNL     1      -4.755  -1.965   0.457  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.090  -1.365  -1.081  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.262   0.331  -2.364  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.434   1.357  -2.903  1.00  0.00           H  
HETATM   31  H   UNL     1      -9.317   1.150  -1.331  1.00  0.00           H  
HETATM   32  H   UNL     1      -9.029  -0.083   0.781  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.859  -1.117   1.316  1.00  0.00           H  
HETATM   34  H   UNL     1       2.851   0.254  -0.766  1.00  0.00           H  
HETATM   35  H   UNL     1       3.264   2.291   0.653  1.00  0.00           H  
HETATM   36  H   UNL     1       4.602   1.422   1.442  1.00  0.00           H  
HETATM   37  H   UNL     1       5.636   1.086  -0.837  1.00  0.00           H  
HETATM   38  H   UNL     1       3.494   3.087  -1.687  1.00  0.00           H  
HETATM   39  H   UNL     1       4.788   2.422  -2.712  1.00  0.00           H  
HETATM   40  H   UNL     1       3.494   1.359  -2.111  1.00  0.00           H  
HETATM   41  H   UNL     1       6.352   2.931   0.656  1.00  0.00           H  
HETATM   42  H   UNL     1       6.423   3.428  -1.052  1.00  0.00           H  
HETATM   43  H   UNL     1       5.078   3.974  -0.022  1.00  0.00           H  
HETATM   44  H   UNL     1       1.088   2.453   1.451  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.039   1.199   1.837  1.00  0.00           H  
HETATM   46  H   UNL     1       5.221  -0.309  -1.574  1.00  0.00           H  
HETATM   47  H   UNL     1       7.101  -1.773  -1.424  1.00  0.00           H  
HETATM   48  H   UNL     1       6.362  -2.510   0.018  1.00  0.00           H  
HETATM   49  H   UNL     1       6.209  -3.956  -1.898  1.00  0.00           H  
HETATM   50  H   UNL     1       4.683  -3.459  -1.461  1.00  0.00           H  
HETATM   51  H   UNL     1       2.616   0.286   2.124  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.389  -1.226   2.106  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.149   0.302   2.986  1.00  0.00           H  
CONECT    1    2   22   27   28                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    2    6    6   33                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   18                                       
CONECT    9   19                                                      
CONECT   10    9   11   51                                            
CONECT   11   10   12   16   34                                       
CONECT   12   11   13   35   36                                       
CONECT   13   12   14   15   37                                       
CONECT   14   13   38   39   40                                       
CONECT   15   13   41   42   43                                       
CONECT   16   11   17   17   24                                       
CONECT   17   16   16                                                 
CONECT   18    9   44                                                 
CONECT   19    9   20   52   53                                       
CONECT   20   19   21   45                                            
CONECT   21   20   22   23   23                                       
CONECT   22    1   21                                                 
CONECT   23   21   21                                                 
CONECT   24   16   25   46                                            
CONECT   25   24   26   47   48                                       
CONECT   26   25   49   50                                            
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   10                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
