COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.430  -0.847   1.884  1.00  0.00           C  
HETATM    2  C   UNL     1       2.941  -0.987   1.562  1.00  0.00           C  
HETATM    3  C   UNL     1       2.745  -0.987   0.044  1.00  0.00           C  
HETATM    4  C   UNL     1       3.536  -2.149  -0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       3.273   0.324  -0.526  1.00  0.00           C  
HETATM    6  C   UNL     1       2.434   1.531  -0.071  1.00  0.00           C  
HETATM    7  C   UNL     1       1.006   1.262  -0.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.062   2.262  -0.062  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.249   3.357  -1.113  1.00  0.00           C  
HETATM   10  C   UNL     1       0.294   2.871   1.296  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.313   1.391   0.046  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.682   1.498   0.024  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.250   0.267   0.151  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.578  -0.154   0.171  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.803  -1.513   0.319  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.768  -2.425   0.442  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.450  -2.038   0.424  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.196  -0.672   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.957   0.090   0.217  1.00  0.00           C  
HETATM   20  C   UNL     1       0.532   0.021   0.303  1.00  0.00           C  
HETATM   21  C   UNL     1       1.249  -1.181  -0.270  1.00  0.00           C  
HETATM   22  N   UNL     1       1.049  -1.244  -1.685  1.00  0.00           N1+
HETATM   23  C   UNL     1       0.891  -1.293  -2.809  1.00  0.00           C1-
HETATM   24  H   UNL     1       4.976  -1.683   1.448  1.00  0.00           H  
HETATM   25  H   UNL     1       4.805   0.088   1.469  1.00  0.00           H  
HETATM   26  H   UNL     1       4.569  -0.846   2.965  1.00  0.00           H  
HETATM   27  H   UNL     1       2.565  -1.922   1.977  1.00  0.00           H  
HETATM   28  H   UNL     1       2.395  -0.150   1.998  1.00  0.00           H  
HETATM   29  H   UNL     1       4.591  -2.039  -0.311  1.00  0.00           H  
HETATM   30  H   UNL     1       3.164  -3.091  -0.157  1.00  0.00           H  
HETATM   31  H   UNL     1       3.416  -2.146  -1.644  1.00  0.00           H  
HETATM   32  H   UNL     1       4.303   0.465  -0.197  1.00  0.00           H  
HETATM   33  H   UNL     1       3.255   0.270  -1.615  1.00  0.00           H  
HETATM   34  H   UNL     1       2.482   1.629   1.013  1.00  0.00           H  
HETATM   35  H   UNL     1       2.803   2.441  -0.544  1.00  0.00           H  
HETATM   36  H   UNL     1       0.946   1.079  -1.577  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.558   2.907  -2.057  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.014   4.057  -0.777  1.00  0.00           H  
HETATM   39  H   UNL     1       0.693   3.888  -1.255  1.00  0.00           H  
HETATM   40  H   UNL     1       1.250   3.388   1.222  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.481   3.579   1.590  1.00  0.00           H  
HETATM   42  H   UNL     1       0.365   2.079   2.042  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.173   2.330  -0.068  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.395   0.546   0.075  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.820  -1.873   0.339  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.005  -3.472   0.554  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.648  -2.756   0.521  1.00  0.00           H  
HETATM   48  H   UNL     1       0.835   0.139   1.343  1.00  0.00           H  
HETATM   49  H   UNL     1       0.883  -2.094   0.201  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    3    1   27   28                                       
CONECT    3    4   21    5    2                                       
CONECT    4    3   29   30   31                                       
CONECT    5    3    6   32   33                                       
CONECT    6    7    5   34   35                                       
CONECT    7   20    8    6   36                                       
CONECT    8   11    9    7   10                                       
CONECT    9    8   37   38   39                                       
CONECT   10    8   40   41   42                                       
CONECT   11   12   19   19    8                                       
CONECT   12   13   11   43                                            
CONECT   13   14   14   18   12                                       
CONECT   14   15   13   13   44                                       
CONECT   15   16   16   14   45                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   18   18   47                                       
CONECT   18   17   17   13   19                                       
CONECT   19   18   11   11   20                                       
CONECT   20   21   19    7   48                                       
CONECT   21   22   20    3   49                                       
CONECT   22   23   23   23   21                                       
CONECT   23   22   22   22                                            
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
