COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.700  -4.232  -3.462  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.762  -4.059  -2.695  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.914  -5.063  -2.209  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.830  -4.859  -1.321  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.134  -5.988  -0.977  1.00  0.00           N  
HETATM    6  N   UNL     1      -1.509  -3.671  -0.855  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.386  -2.775  -2.169  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.316  -2.688  -1.312  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.958  -1.559  -2.400  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.233  -0.726  -1.680  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.223  -1.363  -1.000  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.246  -0.727  -0.118  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.854   0.394   0.552  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.025  -0.178  -0.839  1.00  0.00           C  
HETATM   15  C   UNL     1       2.152  -0.634  -1.601  1.00  0.00           C  
HETATM   16  O   UNL     1       0.953  -1.175  -1.054  1.00  0.00           O  
HETATM   17  C   UNL     1       0.431   0.903   0.121  1.00  0.00           C  
HETATM   18  O   UNL     1       1.120   0.305   1.219  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.893   1.472   0.622  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.403   2.626  -0.230  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.636   3.081   0.300  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.384   4.312  -0.437  1.00  0.00           P  
HETATM   23  O   UNL     1      -2.611   5.597  -0.506  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.791   3.693  -1.875  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.785   4.369   0.365  1.00  0.00           O  
HETATM   26  P   UNL     1      -5.110   4.744   1.901  1.00  0.00           P  
HETATM   27  O   UNL     1      -6.560   4.683   2.281  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.422   6.196   2.087  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.150   3.762   2.751  1.00  0.00           O  
HETATM   30  P   UNL     1      -3.828   3.661   4.331  1.00  0.00           P  
HETATM   31  O   UNL     1      -5.248   3.209   4.963  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.232   4.895   4.941  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.921   2.326   4.449  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.416   1.120   3.897  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.397   0.013   4.129  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.847  -1.335   3.577  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.692  -2.125   3.291  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.588  -1.932   4.755  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.674  -3.341   4.702  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.234  -0.165   5.554  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.741  -1.462   5.925  1.00  0.00           C  
HETATM   42  N   UNL     1      -3.499  -1.390   7.173  1.00  0.00           N1+
HETATM   43  C   UNL     1      -3.587  -2.393   8.125  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.001  -3.618   8.089  1.00  0.00           N  
HETATM   45  C   UNL     1      -3.282  -4.340   9.149  1.00  0.00           C  
HETATM   46  N   UNL     1      -2.788  -5.609   9.309  1.00  0.00           N  
HETATM   47  N   UNL     1      -4.103  -3.883  10.202  1.00  0.00           N  
HETATM   48  C   UNL     1      -4.219  -0.331   7.572  1.00  0.00           C  
HETATM   49  N   UNL     1      -4.769  -0.625   8.754  1.00  0.00           N  
HETATM   50  C   UNL     1      -5.620   0.273   9.508  1.00  0.00           C  
HETATM   51  C   UNL     1      -4.397  -1.895   9.124  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.732  -2.631  10.289  1.00  0.00           C  
HETATM   53  O   UNL     1      -5.434  -2.308  11.243  1.00  0.00           O  
HETATM   54  H   UNL     1      -3.091  -6.014  -2.518  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.143  -5.934  -0.931  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.646  -6.818  -0.786  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.388   0.343  -1.610  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.989  -1.490   0.625  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.301   0.262  -1.805  1.00  0.00           H  
HETATM   60  H   UNL     1       2.244  -0.934  -2.647  1.00  0.00           H  
HETATM   61  H   UNL     1       3.010  -0.997  -1.029  1.00  0.00           H  
HETATM   62  H   UNL     1       2.110   0.456  -1.539  1.00  0.00           H  
HETATM   63  H   UNL     1       1.100   1.641  -0.330  1.00  0.00           H  
HETATM   64  H   UNL     1       1.985   0.739   1.268  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.832   1.793   1.667  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.563   2.300  -1.262  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.689   3.454  -0.223  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.104   3.620  -2.571  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.887   6.989   1.743  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.949   3.884   5.085  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.366   0.874   4.381  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.588   1.266   2.826  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.429   0.321   3.721  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.443  -1.275   2.663  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.803  -2.957   3.774  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.601  -1.518   4.821  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.019  -3.643   5.561  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.891  -2.127   6.114  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.907  -5.825   8.903  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.329  -6.263   9.824  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.255  -4.525  10.975  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.333   0.595   7.031  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.274   0.790   8.802  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.212  -0.303  10.226  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.998   0.990  10.051  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    7    3                                       
CONECT    3    2    4   54                                            
CONECT    4    3    6    6    5                                       
CONECT    5    4   55   56                                            
CONECT    6    4    4    8                                            
CONECT    7    2    9    8    8                                       
CONECT    8    6    7    7   11                                       
CONECT    9    7   10   10                                            
CONECT   10    9    9   11   57                                       
CONECT   11    8   10   12                                            
CONECT   12   11   13   14   58                                       
CONECT   13   12   19                                                 
CONECT   14   12   17   16   59                                       
CONECT   15   16   60   61   62                                       
CONECT   16   14   15                                                 
CONECT   17   14   19   18   63                                       
CONECT   18   17   64                                                 
CONECT   19   13   17   20   65                                       
CONECT   20   19   21   66   67                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   68                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   69                                                 
CONECT   29   26   30                                                 
CONECT   30   29   32   32   31                                       
CONECT   30   33                                                      
CONECT   31   30   70                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34                                                 
CONECT   34   33   35   71   72                                       
CONECT   35   34   36   40   73                                       
CONECT   36   35   37   38   74                                       
CONECT   37   36   75                                                 
CONECT   38   36   41   39   76                                       
CONECT   39   38   77                                                 
CONECT   40   35   41                                                 
CONECT   41   38   40   42   78                                       
CONECT   42   41   48   48   43                                       
CONECT   43   42   51   51   44                                       
CONECT   44   43   45   45                                            
CONECT   45   44   44   47   46                                       
CONECT   46   45   79   80                                            
CONECT   47   45   52   81                                            
CONECT   48   42   42   49   82                                       
CONECT   49   48   50   51                                            
CONECT   50   49   83   84   85                                       
CONECT   51   43   43   49   52                                       
CONECT   52   47   51   53   53                                       
CONECT   53   52   52                                                 
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57   10                                                      
CONECT   58   12                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   24                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   41                                                      
CONECT   79   46                                                      
CONECT   80   46                                                      
CONECT   81   47                                                      
CONECT   82   48                                                      
CONECT   83   50                                                      
CONECT   84   50                                                      
CONECT   85   50                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
