COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.460   1.077   0.375  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.422   1.691   1.625  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.452   1.383   2.529  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.525   0.150   0.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.512  -0.190   0.931  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.471   0.431   2.202  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.522  -1.147   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.554  -1.429   1.556  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.582  -0.776   2.781  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.450  -2.605  -0.988  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.148  -2.216  -0.703  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.088  -3.035  -1.063  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.331  -4.241  -1.707  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.532   1.431  -0.581  1.00  0.00           N1+
HETATM   15  O   UNL     1      -8.375   2.255  -0.273  1.00  0.00           O  
HETATM   16  O   UNL     1      -7.573   0.899  -1.676  1.00  0.00           O1-
HETATM   17  N   UNL     1      -3.506   0.111   3.072  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.520  -1.784  -0.627  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.686  -3.811  -1.638  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.628  -4.626  -1.991  1.00  0.00           C  
HETATM   21  N   UNL     1       1.226  -2.646  -0.777  1.00  0.00           N  
HETATM   22  C   UNL     1       1.565  -1.342  -0.811  1.00  0.00           C  
HETATM   23  O   UNL     1       0.760  -0.514  -1.192  1.00  0.00           O  
HETATM   24  N   UNL     1       2.797  -0.956  -0.424  1.00  0.00           N  
HETATM   25  C   UNL     1       3.148   0.393  -0.460  1.00  0.00           C  
HETATM   26  C   UNL     1       2.352   1.422  -0.860  1.00  0.00           C  
HETATM   27  C   UNL     1       3.087   2.605  -0.740  1.00  0.00           C  
HETATM   28  C   UNL     1       2.591   3.988  -1.075  1.00  0.00           C  
HETATM   29  C   UNL     1       1.634   4.466   0.019  1.00  0.00           C  
HETATM   30  C   UNL     1       3.779   4.948  -1.168  1.00  0.00           C  
HETATM   31  C   UNL     1       1.855   3.955  -2.417  1.00  0.00           C  
HETATM   32  N   UNL     1       4.278   2.309  -0.287  1.00  0.00           N  
HETATM   33  N   UNL     1       4.347   0.923  -0.095  1.00  0.00           N  
HETATM   34  C   UNL     1       5.454   0.210   0.384  1.00  0.00           C  
HETATM   35  C   UNL     1       6.740   0.619   0.058  1.00  0.00           C  
HETATM   36  C   UNL     1       7.829  -0.086   0.532  1.00  0.00           C  
HETATM   37  C   UNL     1       7.639  -1.199   1.331  1.00  0.00           C  
HETATM   38  C   UNL     1       8.830  -1.966   1.846  1.00  0.00           C  
HETATM   39  C   UNL     1       6.360  -1.609   1.658  1.00  0.00           C  
HETATM   40  C   UNL     1       5.267  -0.905   1.191  1.00  0.00           C  
HETATM   41  H   UNL     1      -7.174   2.423   1.880  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.437   1.868   3.494  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.564  -0.319  -0.948  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.781  -2.154   1.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.823  -1.003   3.515  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.962  -1.278  -0.202  1.00  0.00           H  
HETATM   47  H   UNL     1       0.494  -4.879  -1.988  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.263  -1.658  -1.239  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.698  -4.113  -1.865  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.814  -5.564  -2.492  1.00  0.00           H  
HETATM   51  H   UNL     1       1.892  -3.315  -0.555  1.00  0.00           H  
HETATM   52  H   UNL     1       3.439  -1.616  -0.121  1.00  0.00           H  
HETATM   53  H   UNL     1       1.333   1.339  -1.208  1.00  0.00           H  
HETATM   54  H   UNL     1       2.158   4.490   0.975  1.00  0.00           H  
HETATM   55  H   UNL     1       1.275   5.466  -0.223  1.00  0.00           H  
HETATM   56  H   UNL     1       0.787   3.783   0.086  1.00  0.00           H  
HETATM   57  H   UNL     1       4.460   4.607  -1.948  1.00  0.00           H  
HETATM   58  H   UNL     1       3.420   5.948  -1.411  1.00  0.00           H  
HETATM   59  H   UNL     1       4.302   4.971  -0.213  1.00  0.00           H  
HETATM   60  H   UNL     1       1.009   3.271  -2.350  1.00  0.00           H  
HETATM   61  H   UNL     1       1.496   4.955  -2.659  1.00  0.00           H  
HETATM   62  H   UNL     1       2.537   3.615  -3.196  1.00  0.00           H  
HETATM   63  H   UNL     1       6.888   1.488  -0.567  1.00  0.00           H  
HETATM   64  H   UNL     1       8.829   0.232   0.278  1.00  0.00           H  
HETATM   65  H   UNL     1       9.139  -1.554   2.807  1.00  0.00           H  
HETATM   66  H   UNL     1       8.560  -3.014   1.970  1.00  0.00           H  
HETATM   67  H   UNL     1       9.651  -1.883   1.134  1.00  0.00           H  
HETATM   68  H   UNL     1       6.215  -2.478   2.282  1.00  0.00           H  
HETATM   69  H   UNL     1       4.268  -1.225   1.447  1.00  0.00           H  
CONECT    1    2    4    4   14                                       
CONECT    2    1    3    3   41                                       
CONECT    3    2    2    6   42                                       
CONECT    4    1    1    5   43                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5    3   17   17                                       
CONECT    7    5    5    8   18                                       
CONECT    8    7    9    9   44                                       
CONECT    9    8    8   17   45                                       
CONECT   10   18   19   11   11                                       
CONECT   11   10   10   12   46                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12   20   47                                       
CONECT   14    1   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14                                                      
CONECT   17    6    6    9                                            
CONECT   18   10    7   48                                            
CONECT   19   10   20   20   49                                       
CONECT   20   13   19   19   50                                       
CONECT   21   12   22   51                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   52                                            
CONECT   25   24   26   26   33                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   30   31                                       
CONECT   29   28   54   55   56                                       
CONECT   30   28   57   58   59                                       
CONECT   31   28   60   61   62                                       
CONECT   32   27   27   33                                            
CONECT   33   25   32   34                                            
CONECT   34   33   35   35   40                                       
CONECT   35   34   34   36   63                                       
CONECT   36   35   37   37   64                                       
CONECT   37   36   36   39   38                                       
CONECT   38   37   65   66   67                                       
CONECT   39   37   40   40   68                                       
CONECT   40   39   39   34   69                                       
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   40                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
