COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.812  -4.498   1.769  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.240  -3.061   1.622  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.339  -1.272   0.385  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.556  -1.192  -0.541  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.933   0.278  -0.745  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.076   2.516  -1.455  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.908   0.169   0.150  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.461   1.267   1.120  1.00  0.00           C  
HETATM    9  C   UNL     1       2.087   3.920   1.130  1.00  0.00           C  
HETATM   10  C   UNL     1       2.578   4.950   2.114  1.00  0.00           C  
HETATM   11  C   UNL     1       1.892   0.813   0.420  1.00  0.00           C  
HETATM   12  C   UNL     1       0.221  -0.854  -0.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.195  -1.922  -1.019  1.00  0.00           C  
HETATM   14  C   UNL     1       4.162   0.574  -0.243  1.00  0.00           C  
HETATM   15  C   UNL     1       4.078  -0.754   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1       5.176  -1.582   0.020  1.00  0.00           C  
HETATM   17  C   UNL     1       6.359  -1.087  -0.498  1.00  0.00           C  
HETATM   18  C   UNL     1       6.446   0.236  -0.888  1.00  0.00           C  
HETATM   19  C   UNL     1       5.350   1.068  -0.763  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.970  -2.256   2.489  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.923  -2.669   0.528  1.00  0.00           N  
HETATM   22  O   UNL     1      -6.653  -1.892   0.050  1.00  0.00           O  
HETATM   23  O   UNL     1      -7.022   0.369  -1.665  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.725   1.034  -1.306  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.991   3.200  -2.086  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.620   0.894  -0.411  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.193  -0.456  -0.219  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.072  -0.480   0.667  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.480   2.264   1.215  1.00  0.00           O  
HETATM   30  C   UNL     1       0.830   1.902   0.594  1.00  0.00           C  
HETATM   31  N   UNL     1       1.308   2.904   1.551  1.00  0.00           N  
HETATM   32  O   UNL     1       2.392   4.005  -0.041  1.00  0.00           O  
HETATM   33  O   UNL     1       1.400  -0.192  -0.468  1.00  0.00           O  
HETATM   34  O   UNL     1       0.804  -2.942  -1.073  1.00  0.00           O  
HETATM   35  O   UNL     1       3.081   1.389  -0.123  1.00  0.00           O  
HETATM   36  N   UNL     1       7.535  -1.976  -0.635  1.00  0.00           N1+
HETATM   37  O   UNL     1       7.459  -3.142  -0.290  1.00  0.00           O  
HETATM   38  O   UNL     1       8.577  -1.542  -1.091  1.00  0.00           O1-
HETATM   39  H   UNL     1      -3.594  -5.060   2.280  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.641  -4.929   0.782  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.891  -4.546   2.351  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.597  -0.867   1.364  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.312  -1.643  -1.503  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.225   0.715   0.210  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.973   2.617  -2.065  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.254   2.948  -0.471  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.137   0.610  -0.820  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.280   0.834   2.103  1.00  0.00           H  
HETATM   49  H   UNL     1       3.176   4.461   2.883  1.00  0.00           H  
HETATM   50  H   UNL     1       3.189   5.688   1.593  1.00  0.00           H  
HETATM   51  H   UNL     1       1.725   5.446   2.577  1.00  0.00           H  
HETATM   52  H   UNL     1       2.114   0.365   1.389  1.00  0.00           H  
HETATM   53  H   UNL     1       0.421  -1.324   0.956  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.146  -2.360  -0.716  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.303  -1.467  -2.004  1.00  0.00           H  
HETATM   56  H   UNL     1       3.154  -1.140   0.554  1.00  0.00           H  
HETATM   57  H   UNL     1       5.111  -2.616   0.325  1.00  0.00           H  
HETATM   58  H   UNL     1       7.371   0.620  -1.292  1.00  0.00           H  
HETATM   59  H   UNL     1       5.418   2.101  -1.068  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.139  -3.313  -0.165  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.459  -1.882  -0.484  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.314   1.274  -1.841  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.460   0.623  -2.279  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.144   4.146  -2.214  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.907  -0.887  -1.179  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.263   2.992   1.814  1.00  0.00           H  
HETATM   67  H   UNL     1       0.636   2.380  -0.367  1.00  0.00           H  
HETATM   68  H   UNL     1       1.064   2.835   2.487  1.00  0.00           H  
HETATM   69  H   UNL     1       0.606  -3.655  -1.696  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2   21   20   20    1                                       
CONECT    3    4   21   27   42                                       
CONECT    4   22    5    3   43                                       
CONECT    5   23    4   24   44                                       
CONECT    6   24   25   45   46                                       
CONECT    7   28    8   12   47                                       
CONECT    8   29    7   30   48                                       
CONECT    9   32   32   31   10                                       
CONECT   10    9   49   50   51                                       
CONECT   11   30   33   35   52                                       
CONECT   12    7   13   33   53                                       
CONECT   13   12   34   54   55                                       
CONECT   14   35   19   19   15                                       
CONECT   15   14   16   16   56                                       
CONECT   16   15   15   17   57                                       
CONECT   17   18   18   16   36                                       
CONECT   18   19   17   17   58                                       
CONECT   19   14   14   18   59                                       
CONECT   20    2    2                                                 
CONECT   21    3    2   60                                            
CONECT   22    4   61                                                 
CONECT   23    5   62                                                 
CONECT   24    5    6   26   63                                       
CONECT   25    6   64                                                 
CONECT   26   24   27                                                 
CONECT   27    3   26   28   65                                       
CONECT   28   27    7                                                 
CONECT   29    8   66                                                 
CONECT   30    8   31   11   67                                       
CONECT   31   30    9   68                                            
CONECT   32    9    9                                                 
CONECT   33   12   11                                                 
CONECT   34   13   69                                                 
CONECT   35   11   14                                                 
CONECT   36   17   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
