COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.136   1.377   2.311  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.493   1.095   1.803  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.637   1.633   2.355  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.882   1.310   1.823  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.019   0.463   0.763  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.894  -0.121   0.159  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.998  -1.017  -0.919  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.865  -1.545  -1.462  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.601  -1.211  -0.978  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.460  -0.343   0.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.609   0.196   0.654  1.00  0.00           C  
HETATM   12  C   UNL     1       0.903   0.051   0.567  1.00  0.00           C  
HETATM   13  C   UNL     1       1.435   1.187  -0.269  1.00  0.00           C  
HETATM   14  C   UNL     1       2.306   2.105   0.289  1.00  0.00           C  
HETATM   15  C   UNL     1       2.796   3.146  -0.475  1.00  0.00           C  
HETATM   16  C   UNL     1       2.413   3.271  -1.803  1.00  0.00           C  
HETATM   17  C   UNL     1       1.534   2.352  -2.358  1.00  0.00           C  
HETATM   18  C   UNL     1       1.052   1.309  -1.592  1.00  0.00           C  
HETATM   19  C   UNL     1       1.833  -1.129   0.456  1.00  0.00           C  
HETATM   20  C   UNL     1       2.453  -1.409  -0.748  1.00  0.00           C  
HETATM   21  C   UNL     1       3.306  -2.490  -0.852  1.00  0.00           C  
HETATM   22  C   UNL     1       3.541  -3.295   0.252  1.00  0.00           C  
HETATM   23  C   UNL     1       2.919  -3.012   1.459  1.00  0.00           C  
HETATM   24  C   UNL     1       2.070  -1.927   1.560  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.326  -1.384  -1.460  1.00  0.00           N1+
HETATM   26  O   UNL     1       0.823   0.473   1.958  1.00  0.00           O  
HETATM   27  O   UNL     1       0.111   2.349   2.997  1.00  0.00           O  
HETATM   28  O   UNL     1       2.894   4.295  -2.556  1.00  0.00           O  
HETATM   29  O   UNL     1       4.381  -4.359   0.152  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.537  -2.523  -1.837  1.00  0.00           O1-
HETATM   31  O   UNL     1      -5.208  -0.547  -1.528  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.567   2.305   3.198  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.768   1.743   2.263  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.005   0.238   0.384  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.948  -2.237  -2.287  1.00  0.00           H  
HETATM   36  H   UNL     1       0.277  -1.646  -1.434  1.00  0.00           H  
HETATM   37  H   UNL     1       2.604   2.007   1.322  1.00  0.00           H  
HETATM   38  H   UNL     1       3.477   3.862  -0.040  1.00  0.00           H  
HETATM   39  H   UNL     1       1.235   2.447  -3.391  1.00  0.00           H  
HETATM   40  H   UNL     1       0.373   0.590  -2.025  1.00  0.00           H  
HETATM   41  H   UNL     1       2.269  -0.781  -1.608  1.00  0.00           H  
HETATM   42  H   UNL     1       3.789  -2.708  -1.793  1.00  0.00           H  
HETATM   43  H   UNL     1       3.101  -3.638   2.321  1.00  0.00           H  
HETATM   44  H   UNL     1       1.586  -1.706   2.499  1.00  0.00           H  
HETATM   45  H   UNL     1       3.710   3.979  -2.968  1.00  0.00           H  
HETATM   46  H   UNL     1       5.266  -4.039   0.373  1.00  0.00           H  
CONECT    1    2   26   27   27                                       
CONECT    2    1    3    3   11                                       
CONECT    3    2    2    4   32                                       
CONECT    4    3    5    5   33                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   25                                       
CONECT    8    7    9    9   35                                       
CONECT    9    8    8   10   36                                       
CONECT   10    9   11   11   12                                       
CONECT   11    2    6   10   10                                       
CONECT   12   10   13   19   26                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   28                                       
CONECT   17   16   18   18   39                                       
CONECT   18   13   17   17   40                                       
CONECT   19   12   20   20   24                                       
CONECT   20   19   19   21   41                                       
CONECT   21   20   22   22   42                                       
CONECT   22   21   21   23   29                                       
CONECT   23   22   24   24   43                                       
CONECT   24   19   23   23   44                                       
CONECT   25    7   30   31   31                                       
CONECT   26    1   12                                                 
CONECT   27    1    1                                                 
CONECT   28   16   45                                                 
CONECT   29   22   46                                                 
CONECT   30   25                                                      
CONECT   31   25   25                                                 
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
