COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.279  -0.940   2.136  1.00  0.00           N  
HETATM    2  C   UNL     1       3.780  -0.327   1.081  1.00  0.00           C  
HETATM    3  C   UNL     1       5.215  -0.570   0.690  1.00  0.00           C  
HETATM    4  C   UNL     1       3.001   0.538   0.329  1.00  0.00           C  
HETATM    5  O   UNL     1       3.523   1.168  -0.756  1.00  0.00           O  
HETATM    6  C   UNL     1       1.678   0.753   0.701  1.00  0.00           C  
HETATM    7  C   UNL     1       0.796   1.686  -0.087  1.00  0.00           C  
HETATM    8  C   UNL     1       1.193   0.093   1.819  1.00  0.00           C  
HETATM    9  C   UNL     1       2.029  -0.758   2.515  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.233   0.293   2.262  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.486  -0.502   3.422  1.00  0.00           O  
HETATM   12  P   UNL     1      -2.019  -0.241   3.839  1.00  0.00           P  
HETATM   13  O   UNL     1      -2.908  -0.639   2.725  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.375  -1.110   5.147  1.00  0.00           O  
HETATM   15  O   UNL     1      -2.229   1.322   4.161  1.00  0.00           O  
HETATM   16  P   UNL     1      -0.804  -0.995  -3.897  1.00  0.00           P  
HETATM   17  O   UNL     1      -2.190  -1.255  -4.349  1.00  0.00           O  
HETATM   18  O   UNL     1       0.229  -1.720  -4.896  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.608  -1.573  -2.408  1.00  0.00           O  
HETATM   20  N   UNL     1       0.111   0.933  -1.147  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.726   1.895  -1.874  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.472   1.174  -2.999  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.528   0.590  -3.898  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.346   2.176  -3.756  1.00  0.00           C  
HETATM   25  H   UNL     1       5.856   0.154   1.192  1.00  0.00           H  
HETATM   26  H   UNL     1       5.507  -1.578   0.985  1.00  0.00           H  
HETATM   27  H   UNL     1       5.321  -0.463  -0.388  1.00  0.00           H  
HETATM   28  H   UNL     1       3.896   2.003  -0.442  1.00  0.00           H  
HETATM   29  H   UNL     1       1.405   2.471  -0.535  1.00  0.00           H  
HETATM   30  H   UNL     1       0.056   2.134   0.575  1.00  0.00           H  
HETATM   31  H   UNL     1       1.656  -1.279   3.384  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.396   1.344   2.500  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.908  -0.007   1.461  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.300  -0.926   5.362  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.634   1.539   4.891  1.00  0.00           H  
HETATM   36  H   UNL     1       0.030  -2.666  -4.866  1.00  0.00           H  
HETATM   37  H   UNL     1       0.305  -1.384  -2.153  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.516   0.291  -0.687  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.097   2.678  -2.298  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.447   2.341  -1.188  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.101   0.392  -2.574  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.716   2.959  -4.180  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.877   1.663  -4.557  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.066   2.622  -3.070  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   25   26   27                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   28                                                 
CONECT    6    4    4    7    8                                       
CONECT    7    6   20   29   30                                       
CONECT    8    6    9    9   10                                       
CONECT    9    1    8    8   31                                       
CONECT   10    8   11   32   33                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12   34                                                 
CONECT   15   12   35                                                 
CONECT   16   17   17   18   19                                       
CONECT   16   23                                                      
CONECT   17   16   16                                                 
CONECT   18   16   36                                                 
CONECT   19   16   37                                                 
CONECT   20    7   21   38                                            
CONECT   21   20   22   39   40                                       
CONECT   22   21   23   24   41                                       
CONECT   23   16   22                                                 
CONECT   24   22   42   43   44                                       
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
