COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.570   2.221   0.325  1.00  0.00           O  
HETATM    2  O   UNL     1      -3.184  -2.297  -1.076  1.00  0.00           O  
HETATM    3  C   UNL     1       1.145  -0.060  -0.799  1.00  0.00           C  
HETATM    4  C   UNL     1       1.968  -0.087   0.463  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.319  -0.141  -0.452  1.00  0.00           C  
HETATM    6  C   UNL     1       2.616   1.016   0.945  1.00  0.00           C  
HETATM    7  C   UNL     1       1.428   1.235  -1.518  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.240   0.768   0.657  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.897   0.838   0.336  1.00  0.00           C  
HETATM   10  C   UNL     1       2.095   2.257  -0.936  1.00  0.00           C  
HETATM   11  C   UNL     1       2.221  -1.146   1.325  1.00  0.00           C  
HETATM   12  N   UNL     1       2.989  -0.707   2.294  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.854   1.817   1.501  1.00  0.00           N1+
HETATM   14  N   UNL     1       2.299   3.398  -1.672  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.084  -1.190  -0.927  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.431  -1.266  -0.609  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.010  -0.284   0.188  1.00  0.00           C  
HETATM   18  N   UNL     1       3.249   0.654   2.072  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.522  -3.268  -1.890  1.00  0.00           C  
HETATM   20  C   UNL     1       2.696  -3.377   0.353  1.00  0.00           C  
HETATM   21  C   UNL     1       1.703  -2.553   1.175  1.00  0.00           C  
HETATM   22  C   UNL     1       0.974   1.388  -2.868  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.331  -0.354   0.503  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.176   2.742   1.913  1.00  0.00           O1-
HETATM   25  O   UNL     1      -4.037   1.756   1.783  1.00  0.00           O  
HETATM   26  N   UNL     1       0.614   1.509  -3.938  1.00  0.00           N  
HETATM   27  C   UNL     1       2.170  -4.806   0.201  1.00  0.00           C  
HETATM   28  H   UNL     1       1.419  -0.901  -1.435  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.297   1.658   0.702  1.00  0.00           H  
HETATM   30  H   UNL     1       2.773   4.148  -1.282  1.00  0.00           H  
HETATM   31  H   UNL     1       1.968   3.453  -2.582  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.632  -1.951  -1.546  1.00  0.00           H  
HETATM   33  H   UNL     1       3.791   1.231   2.634  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.236  -4.033  -2.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.111  -2.781  -2.774  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.715  -3.729  -1.321  1.00  0.00           H  
HETATM   37  H   UNL     1       2.815  -2.927  -0.632  1.00  0.00           H  
HETATM   38  H   UNL     1       3.660  -3.398   0.862  1.00  0.00           H  
HETATM   39  H   UNL     1       1.584  -3.003   2.160  1.00  0.00           H  
HETATM   40  H   UNL     1       0.739  -2.533   0.666  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.911   0.093  -0.130  1.00  0.00           H  
HETATM   42  H   UNL     1       2.877  -5.393  -0.384  1.00  0.00           H  
HETATM   43  H   UNL     1       2.051  -5.256   1.186  1.00  0.00           H  
HETATM   44  H   UNL     1       1.206  -4.785  -0.308  1.00  0.00           H  
CONECT    1   10    6                                                 
CONECT    2   16   19                                                 
CONECT    3    7    5    4   28                                       
CONECT    4    6    6    3   11                                       
CONECT    5    9    3   15   15                                       
CONECT    6    1   18    4    4                                       
CONECT    7   10   10   22    3                                       
CONECT    8   13    9    9   17                                       
CONECT    9    8    8    5   29                                       
CONECT   10   14    1    7    7                                       
CONECT   11    4   12   12   21                                       
CONECT   12   18   11   11                                            
CONECT   13   24   25   25    8                                       
CONECT   14   10   30   31                                            
CONECT   15    5    5   16   32                                       
CONECT   16   17   17   15    2                                       
CONECT   17    8   23   16   16                                       
CONECT   18    6   12   33                                            
CONECT   19    2   34   35   36                                       
CONECT   20   21   27   37   38                                       
CONECT   21   11   20   39   40                                       
CONECT   22   26   26   26    7                                       
CONECT   23   17   41                                                 
CONECT   24   13                                                      
CONECT   25   13   13                                                 
CONECT   26   22   22   22                                            
CONECT   27   20   42   43   44                                       
CONECT   28    3                                                      
CONECT   29    9                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   18                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
