COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.063   2.620   0.701  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.079   0.556  -0.081  1.00  0.00           N  
HETATM    3  OXT UNL     1      -3.198   3.279   1.489  1.00  0.00           O  
HETATM    4  P   UNL     1       4.160   1.366   0.027  1.00  0.00           P  
HETATM    5  N   UNL     1       0.727  -2.752   1.618  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.341  -3.205   0.995  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.746  -2.656  -0.213  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.847  -3.128  -0.851  1.00  0.00           O  
HETATM    9  C   UNL     1       0.004  -1.605  -0.765  1.00  0.00           C  
HETATM   10  C   UNL     1       1.131  -1.160  -0.063  1.00  0.00           C  
HETATM   11  C   UNL     1       1.457  -1.766   1.133  1.00  0.00           C  
HETATM   12  CA  UNL     1      -3.821   1.173   0.360  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.786   1.079  -0.763  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.566  -0.485  -2.193  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.467  -0.391  -1.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.133  -4.334   1.602  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.383  -0.988  -2.049  1.00  0.00           C  
HETATM   18  C   UNL     1       1.975  -0.036  -0.606  1.00  0.00           C  
HETATM   19  O   UNL     1       5.143   1.467   1.298  1.00  0.00           O  
HETATM   20  O   UNL     1       3.485   2.667  -0.179  1.00  0.00           O  
HETATM   21  O   UNL     1       5.015   0.991  -1.285  1.00  0.00           O  
HETATM   22  O   UNL     1       3.056   0.225   0.292  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.039   3.188   0.269  1.00  0.00           O  
HETATM   24  H1  UNL     1      -5.758   0.547   0.665  1.00  0.00           H  
HETATM   25  H2  UNL     1      -5.444   1.023  -0.897  1.00  0.00           H  
HETATM   26  HXT UNL     1      -3.396   4.206   1.679  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.678  -2.742  -0.539  1.00  0.00           H  
HETATM   28  H   UNL     1       2.325  -1.428   1.680  1.00  0.00           H  
HETATM   29  HA  UNL     1      -3.449   0.649   1.241  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.186   1.542  -1.665  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.875   1.597  -0.461  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.988  -0.831  -0.168  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.391  -0.928  -1.259  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.907  -3.926   2.253  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.597  -4.920   0.809  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.469  -4.973   2.184  1.00  0.00           H  
HETATM   37  H   UNL     1       0.321  -0.955  -2.867  1.00  0.00           H  
HETATM   38  H   UNL     1       2.373  -0.318  -1.581  1.00  0.00           H  
HETATM   39  H   UNL     1       1.364   0.860  -0.709  1.00  0.00           H  
HETATM   40  H   UNL     1       5.835   2.136   1.208  1.00  0.00           H  
HETATM   41  H   UNL     1       5.485   0.148  -1.220  1.00  0.00           H  
CONECT    1   23   23   12    3                                       
CONECT    2   12   24   25                                            
CONECT    3    1   26                                                 
CONECT    4   20   20   21   19                                       
CONECT    4   22                                                      
CONECT    5   11   11    6                                            
CONECT    6    5   16    7    7                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   27                                                 
CONECT    9    7   10   10   17                                       
CONECT   10    9    9   11   18                                       
CONECT   11    5    5   10   28                                       
CONECT   12    1    2   13   29                                       
CONECT   13   12   15   30   31                                       
CONECT   14   17   17   15                                            
CONECT   15   13   14   32   33                                       
CONECT   16    6   34   35   36                                       
CONECT   17    9   14   14   37                                       
CONECT   18   10   22   38   39                                       
CONECT   19    4   40                                                 
CONECT   20    4    4                                                 
CONECT   21    4   41                                                 
CONECT   22    4   18                                                 
CONECT   23    1    1                                                 
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    8                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
