COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.486  -1.135   5.627  1.00  0.00           N  
HETATM    2  C   UNL     1       1.746  -0.799   5.429  1.00  0.00           C  
HETATM    3  C   UNL     1       2.790  -1.192   6.442  1.00  0.00           C  
HETATM    4  C   UNL     1       2.120  -0.087   4.299  1.00  0.00           C  
HETATM    5  O   UNL     1       3.419   0.257   4.100  1.00  0.00           O  
HETATM    6  C   UNL     1       1.145   0.268   3.372  1.00  0.00           C  
HETATM    7  C   UNL     1       1.507   1.041   2.130  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.166  -0.100   3.621  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.460  -0.813   4.768  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.258   0.261   2.647  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.507  -0.240   3.124  1.00  0.00           O  
HETATM   12  P   UNL     1      -3.622   0.180   2.041  1.00  0.00           P  
HETATM   13  O   UNL     1      -3.284  -0.414   0.729  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.063  -0.356   2.518  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.663   1.784   1.909  1.00  0.00           O  
HETATM   16  N   UNL     1       1.836   0.104   1.048  1.00  0.00           N  
HETATM   17  C   UNL     1       3.679   1.212  -0.123  1.00  0.00           C  
HETATM   18  C   UNL     1       2.178   0.918  -0.126  1.00  0.00           C  
HETATM   19  C   UNL     1       1.815   0.166  -1.380  1.00  0.00           C  
HETATM   20  O   UNL     1       1.847  -1.040  -1.392  1.00  0.00           O  
HETATM   21  C   UNL     1       1.413   0.921  -2.621  1.00  0.00           C  
HETATM   22  C   UNL     1       1.099  -0.071  -3.743  1.00  0.00           C  
HETATM   23  C   UNL     1       0.691   0.695  -5.003  1.00  0.00           C  
HETATM   24  C   UNL     1       0.377  -0.297  -6.124  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.030   0.468  -7.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.340  -0.508  -8.488  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.722  -0.060  -9.694  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.245  -1.696  -8.288  1.00  0.00           O  
HETATM   29  H   UNL     1       2.885  -0.404   7.190  1.00  0.00           H  
HETATM   30  H   UNL     1       2.493  -2.121   6.929  1.00  0.00           H  
HETATM   31  H   UNL     1       3.747  -1.334   5.941  1.00  0.00           H  
HETATM   32  H   UNL     1       3.545   1.122   4.513  1.00  0.00           H  
HETATM   33  H   UNL     1       2.369   1.676   2.335  1.00  0.00           H  
HETATM   34  H   UNL     1       0.663   1.662   1.829  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.480  -1.107   4.965  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.314   1.345   2.551  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.037  -0.178   1.674  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.700  -0.084   1.844  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.887   2.131   2.784  1.00  0.00           H  
HETATM   40  H   UNL     1       0.985  -0.387   0.822  1.00  0.00           H  
HETATM   41  H   UNL     1       4.233   0.274  -0.157  1.00  0.00           H  
HETATM   42  H   UNL     1       3.932   1.816  -0.994  1.00  0.00           H  
HETATM   43  H   UNL     1       3.941   1.756   0.784  1.00  0.00           H  
HETATM   44  H   UNL     1       1.623   1.856  -0.091  1.00  0.00           H  
HETATM   45  H   UNL     1       0.529   1.523  -2.411  1.00  0.00           H  
HETATM   46  H   UNL     1       2.231   1.572  -2.931  1.00  0.00           H  
HETATM   47  H   UNL     1       1.983  -0.673  -3.954  1.00  0.00           H  
HETATM   48  H   UNL     1       0.281  -0.722  -3.433  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.192   1.297  -4.792  1.00  0.00           H  
HETATM   50  H   UNL     1       1.509   1.346  -5.312  1.00  0.00           H  
HETATM   51  H   UNL     1       1.260  -0.899  -6.335  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.440  -0.948  -5.814  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.914   1.070  -7.173  1.00  0.00           H  
HETATM   54  H   UNL     1       0.786   1.119  -7.693  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.921  -0.687 -10.402  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   29   30   31                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   32                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   16   33   34                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   35                                       
CONECT   10    8   11   36   37                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   38                                                 
CONECT   15   12   39                                                 
CONECT   16    7   18   40                                            
CONECT   17   18   41   42   43                                       
CONECT   18   16   17   19   44                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   45   46                                       
CONECT   22   21   23   47   48                                       
CONECT   23   22   24   49   50                                       
CONECT   24   23   25   51   52                                       
CONECT   25   24   26   53   54                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   55                                                 
CONECT   28   26   26                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
