COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -6.226  -0.426   1.352  1.00  0.00           N  
HETATM    2  O   UNL     1      -3.678   2.507  -0.627  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.773   1.704  -0.492  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.844   0.753   0.461  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.842  -0.134   0.611  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.921  -0.987   1.474  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.638   1.757  -1.337  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.537   2.807  -2.413  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.648   0.855  -1.165  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.757  -0.091  -0.183  1.00  0.00           N  
HETATM   11  C1* UNL     1       0.317  -1.070   0.004  1.00  0.00           C  
HETATM   12  O4* UNL     1       1.591  -0.400   0.134  1.00  0.00           O  
HETATM   13  C2* UNL     1       0.461  -1.956  -1.253  1.00  0.00           C  
HETATM   14  C3* UNL     1       1.985  -2.180  -1.382  1.00  0.00           C  
HETATM   15  O3* UNL     1       2.297  -3.571  -1.281  1.00  0.00           O  
HETATM   16  C4* UNL     1       2.581  -1.402  -0.185  1.00  0.00           C  
HETATM   17  C5* UNL     1       3.900  -0.738  -0.586  1.00  0.00           C  
HETATM   18  O5* UNL     1       4.492  -0.124   0.561  1.00  0.00           O  
HETATM   19  P   UNL     1       5.892   0.669   0.507  1.00  0.00           P  
HETATM   20  O2P UNL     1       5.414   2.170   0.170  1.00  0.00           O  
HETATM   21  O1P UNL     1       6.274   0.781   2.067  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.236  -1.299   0.749  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.055  -0.213   0.718  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.839  -0.744  -0.350  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.016   0.685   1.338  1.00  0.00           C  
HETATM   26  H   UNL     1      -6.400   0.001   2.205  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.427   3.436  -2.393  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.653   3.421  -2.239  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.456   2.323  -3.386  1.00  0.00           H  
HETATM   30  H   UNL     1       0.225   0.880  -1.800  1.00  0.00           H  
HETATM   31  H1* UNL     1       0.121  -1.685   0.882  1.00  0.00           H  
HETATM   32 H2*1 UNL     1      -0.054  -2.906  -1.112  1.00  0.00           H  
HETATM   33 H2*2 UNL     1       0.073  -1.439  -2.131  1.00  0.00           H  
HETATM   34  H3* UNL     1       2.352  -1.772  -2.324  1.00  0.00           H  
HETATM   35  H3* UNL     1       1.947  -4.106  -2.006  1.00  0.00           H  
HETATM   36  H4* UNL     1       2.735  -2.069   0.663  1.00  0.00           H  
HETATM   37 H5*1 UNL     1       4.579  -1.491  -0.985  1.00  0.00           H  
HETATM   38 H5*2 UNL     1       3.710   0.020  -1.346  1.00  0.00           H  
HETATM   39  H2P UNL     1       6.138   2.806   0.097  1.00  0.00           H  
HETATM   40  H1P UNL     1       7.108   1.240   2.236  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.823  -2.300   0.623  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.110  -1.346   1.399  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.528  -0.901  -0.222  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.721   0.284   2.308  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.430   1.684   1.469  1.00  0.00           H  
CONECT    1   23   22   26                                            
CONECT    2    3    3                                                 
CONECT    3    7    4    2    2                                       
CONECT    4    5    3   25                                            
CONECT    5   10    6    6    4                                       
CONECT    6    5    5                                                 
CONECT    7    9    9    8    3                                       
CONECT    8    7   27   28   29                                       
CONECT    9   10    7    7   30                                       
CONECT   10   11    5    9                                            
CONECT   11   13   12   10   31                                       
CONECT   12   16   11                                                 
CONECT   13   14   11   32   33                                       
CONECT   14   15   16   13   34                                       
CONECT   15   14   35                                                 
CONECT   16   14   17   12   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19                                                 
CONECT   19   18   21   20                                            
CONECT   20   19   39                                                 
CONECT   21   19   40                                                 
CONECT   22    1   41   42   43                                       
CONECT   23   25   24   24    1                                       
CONECT   24   23   23                                                 
CONECT   25    4   23   44   45                                       
CONECT   26    1                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
