COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.760  -4.790  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       0.463  -4.133  -0.020  1.00  0.00           C  
HETATM    3  C   UNL     1       0.490  -2.754  -0.073  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.815  -2.645  -0.093  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.916  -4.031  -0.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.880  -0.483  -0.062  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.561   1.415  -0.019  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.681   2.234   0.070  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.941   1.658   0.088  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.040   0.278   0.021  1.00  0.00           C  
HETATM   11  C   UNL     1       0.890   1.131  -0.185  1.00  0.00           C  
HETATM   12  C   UNL     1       2.148   2.001  -0.183  1.00  0.00           C  
HETATM   13  C   UNL     1       4.540   1.953  -0.565  1.00  0.00           C  
HETATM   14  C   UNL     1       5.739   1.022  -0.766  1.00  0.00           C  
HETATM   15  C   UNL     1       4.719  -0.627   0.639  1.00  0.00           C  
HETATM   16  C   UNL     1       3.509   0.287   0.855  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.826  -6.294   0.047  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.629  -2.056  -0.106  1.00  0.00           N  
HETATM   19  N   UNL     1      -2.970  -1.870  -0.130  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.690   0.098  -0.082  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.293   1.984  -0.044  1.00  0.00           N  
HETATM   22  N   UNL     1       3.335   1.146  -0.326  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.529   3.704   0.141  1.00  0.00           N1+
HETATM   24  O   UNL     1       5.874   0.174   0.377  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.612   4.192   0.777  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.320   4.427  -0.438  1.00  0.00           O1-
HETATM   27  H   UNL     1       1.385  -4.696   0.008  1.00  0.00           H  
HETATM   28  H   UNL     1       1.440  -2.239  -0.086  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.885  -4.509  -0.030  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.826   2.272   0.157  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.008  -0.201   0.032  1.00  0.00           H  
HETATM   32  H   UNL     1       0.830   0.581  -1.124  1.00  0.00           H  
HETATM   33  H   UNL     1       0.933   0.428   0.646  1.00  0.00           H  
HETATM   34  H   UNL     1       2.106   2.704  -1.015  1.00  0.00           H  
HETATM   35  H   UNL     1       2.208   2.552   0.755  1.00  0.00           H  
HETATM   36  H   UNL     1       4.721   2.600   0.293  1.00  0.00           H  
HETATM   37  H   UNL     1       4.398   2.563  -1.458  1.00  0.00           H  
HETATM   38  H   UNL     1       5.581   0.412  -1.656  1.00  0.00           H  
HETATM   39  H   UNL     1       6.644   1.616  -0.888  1.00  0.00           H  
HETATM   40  H   UNL     1       4.886  -1.226   1.535  1.00  0.00           H  
HETATM   41  H   UNL     1       4.531  -1.286  -0.209  1.00  0.00           H  
HETATM   42  H   UNL     1       2.615  -0.320   0.998  1.00  0.00           H  
HETATM   43  H   UNL     1       3.674   0.907   1.736  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.847  -6.622   1.086  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.729  -6.635  -0.460  1.00  0.00           H  
HETATM   46  H   UNL     1       0.049  -6.714  -0.449  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.838  -2.297  -0.204  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.191   2.945   0.033  1.00  0.00           H  
CONECT    1    5   17    2    2                                       
CONECT    2    1    1    3   27                                       
CONECT    3   18   18    2   28                                       
CONECT    4   19    5    5   18                                       
CONECT    5    4    4    1   29                                       
CONECT    6   20   20   10   19                                       
CONECT    7   21    8    8   20                                       
CONECT    8   23    7    7    9                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9    6   31                                       
CONECT   11   12   21   32   33                                       
CONECT   12   22   11   34   35                                       
CONECT   13   14   22   36   37                                       
CONECT   14   24   13   38   39                                       
CONECT   15   24   16   40   41                                       
CONECT   16   15   22   42   43                                       
CONECT   17    1   44   45   46                                       
CONECT   18    4    3    3                                            
CONECT   19    6    4   47                                            
CONECT   20    7    6    6                                            
CONECT   21   11    7   48                                            
CONECT   22   13   16   12                                            
CONECT   23   26   25   25    8                                       
CONECT   24   14   15                                                 
CONECT   25   23   23                                                 
CONECT   26   23                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
