COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.233   0.957   0.073  1.00  0.00           C  
HETATM    2  O   UNL     1       4.697   2.079   0.123  1.00  0.00           O  
HETATM    3  C   UNL     1       5.125  -0.217   0.178  1.00  0.00           C  
HETATM    4  C   UNL     1       6.501  -0.041   0.333  1.00  0.00           C  
HETATM    5  C   UNL     1       7.327  -1.141   0.430  1.00  0.00           C  
HETATM    6  C   UNL     1       6.796  -2.417   0.373  1.00  0.00           C  
HETATM    7  C   UNL     1       5.433  -2.599   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1       4.594  -1.507   0.126  1.00  0.00           C  
HETATM    9  N   UNL     1       7.689  -3.593   0.477  1.00  0.00           N1+
HETATM   10  O   UNL     1       8.889  -3.436   0.612  1.00  0.00           O1-
HETATM   11  O   UNL     1       7.223  -4.717   0.426  1.00  0.00           O  
HETATM   12  N   UNL     1       2.905   0.784  -0.077  1.00  0.00           N  
HETATM   13  C   UNL     1       2.010   1.943  -0.078  1.00  0.00           C  
HETATM   14  C   UNL     1       0.644   1.524   0.402  1.00  0.00           C  
HETATM   15  O   UNL     1       0.351   0.348   0.444  1.00  0.00           O  
HETATM   16  C   UNL     1       1.902   2.504  -1.497  1.00  0.00           C  
HETATM   17  C   UNL     1       1.697   1.354  -2.486  1.00  0.00           C  
HETATM   18  C   UNL     1       2.096   1.811  -3.890  1.00  0.00           C  
HETATM   19  C   UNL     1       0.225   0.936  -2.484  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.252   2.456   0.783  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.560   2.186   1.396  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.418   1.392   0.445  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.034   1.183  -0.686  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.220   3.551   1.687  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.010   4.521   1.733  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.084   3.915   0.650  1.00  0.00           C  
HETATM   27  N   UNL     1      -3.611   0.914   0.852  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.444   0.142  -0.073  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.735  -0.278   0.633  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.606  -1.084  -0.333  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.896  -1.504   0.374  1.00  0.00           C  
HETATM   32  N   UNL     1      -8.730  -2.276  -0.551  1.00  0.00           N  
HETATM   33  C   UNL     1      -9.947  -2.763  -0.136  1.00  0.00           C  
HETATM   34  N   UNL     1     -10.359  -2.538   1.079  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.729  -3.488  -1.004  1.00  0.00           N  
HETATM   36  H   UNL     1       6.917   0.955   0.378  1.00  0.00           H  
HETATM   37  H   UNL     1       8.392  -1.006   0.551  1.00  0.00           H  
HETATM   38  H   UNL     1       5.024  -3.598   0.175  1.00  0.00           H  
HETATM   39  H   UNL     1       3.530  -1.650   0.011  1.00  0.00           H  
HETATM   40  H   UNL     1       2.542  -0.109  -0.185  1.00  0.00           H  
HETATM   41  H   UNL     1       2.408   2.710   0.586  1.00  0.00           H  
HETATM   42  H   UNL     1       1.055   3.188  -1.555  1.00  0.00           H  
HETATM   43  H   UNL     1       2.819   3.038  -1.747  1.00  0.00           H  
HETATM   44  H   UNL     1       2.315   0.506  -2.190  1.00  0.00           H  
HETATM   45  H   UNL     1       3.144   2.108  -3.891  1.00  0.00           H  
HETATM   46  H   UNL     1       1.949   0.992  -4.594  1.00  0.00           H  
HETATM   47  H   UNL     1       1.477   2.659  -4.186  1.00  0.00           H  
HETATM   48  H   UNL     1       0.056   0.197  -3.266  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.029   0.505  -1.515  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.400   1.810  -2.668  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.427   1.635   2.327  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.738   3.535   2.646  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.903   3.824   0.883  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.531   4.503   2.712  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.311   5.534   1.467  1.00  0.00           H  
HETATM   56  H   UNL     1       0.953   4.196   0.836  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.394   4.243  -0.342  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.918   1.082   1.757  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.688   0.755  -0.941  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.902  -0.746  -0.396  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.491  -0.891   1.501  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.278   0.610   0.956  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.849  -0.471  -1.200  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.063  -1.972  -0.656  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.653  -2.117   1.241  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.439  -0.616   0.697  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.423  -2.444  -1.456  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.217  -2.882   1.372  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.422  -3.656  -1.909  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.588  -3.832  -0.712  1.00  0.00           H  
CONECT    1    3    2    2   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    9    7                                       
CONECT    7    6    8    8   38                                       
CONECT    8    3    7    7   39                                       
CONECT    9    6   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9                                                 
CONECT   12    1   13   40                                            
CONECT   13   12   16   14   41                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   42   43                                       
CONECT   17   16   19   18   44                                       
CONECT   18   17   45   46   47                                       
CONECT   19   17   48   49   50                                       
CONECT   20   14   26   21                                            
CONECT   21   20   24   22   51                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22                                                 
CONECT   24   25   21   52   53                                       
CONECT   25   26   24   54   55                                       
CONECT   26   20   25   56   57                                       
CONECT   27   22   28   58                                            
CONECT   28   27   29   59   60                                       
CONECT   29   28   30   61   62                                       
CONECT   30   29   31   63   64                                       
CONECT   31   30   32   65   66                                       
CONECT   32   31   33   67                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33   68                                            
CONECT   35   33   69   70                                            
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
