COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.890   0.526  -0.132  1.00  0.00           N  
HETATM    2  N   UNL     1       1.413  -0.445   0.140  1.00  0.00           N  
HETATM    3  C   UNL     1       9.053   2.507   0.821  1.00  0.00           C  
HETATM    4  C   UNL     1       7.161   1.862  -0.682  1.00  0.00           C  
HETATM    5  C   UNL     1       5.513   0.282  -0.064  1.00  0.00           C  
HETATM    6  C   UNL     1       5.046  -0.927   0.435  1.00  0.00           C  
HETATM    7  C   UNL     1       3.688  -1.168   0.503  1.00  0.00           C  
HETATM    8  C   UNL     1       0.463   0.610  -0.219  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.892  -0.237   1.293  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.873  -0.986  -0.982  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.932  -1.370   0.388  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.203   0.247  -0.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.144   1.453   0.400  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.700   1.954   0.485  1.00  0.00           C  
HETATM   15  C   UNL     1       3.256   1.010  -0.421  1.00  0.00           C  
HETATM   16  C   UNL     1       7.564  -0.488  -0.956  1.00  0.00           C  
HETATM   17  C   UNL     1       9.612  -0.786   0.448  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.945   0.095  -0.061  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.601   0.235   1.148  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.527  -0.850   0.229  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.584  -0.508  -1.128  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.257  -0.842  -0.031  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.298  -2.040  -0.981  1.00  0.00           C  
HETATM   24  C   UNL     1       9.075  -0.271  -0.891  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.798   0.816   0.968  1.00  0.00           C  
HETATM   26  C   UNL     1       4.614   1.250  -0.489  1.00  0.00           C  
HETATM   27  C   UNL     1       8.660   2.146  -0.615  1.00  0.00           C  
HETATM   28  C   UNL     1       2.789  -0.201   0.072  1.00  0.00           C  
HETATM   29  N   UNL     1       3.191  -2.457   1.033  1.00  0.00           N1+
HETATM   30  N   UNL     1      -5.889  -0.313   0.032  1.00  0.00           N  
HETATM   31  O   UNL     1       9.437   1.075  -1.106  1.00  0.00           O  
HETATM   32  O   UNL     1       3.756  -2.988   1.973  1.00  0.00           O1-
HETATM   33  O   UNL     1       2.216  -2.987   0.531  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.960  -1.612  -2.302  1.00  0.00           O  
HETATM   35  O   UNL     1      -9.538  -0.261  -0.585  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.982   2.494  -0.105  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.628   3.045   1.406  1.00  0.00           O  
HETATM   38  H   UNL     1       1.087  -1.314   0.425  1.00  0.00           H  
HETATM   39  H   UNL     1       8.812   1.675   1.483  1.00  0.00           H  
HETATM   40  H   UNL     1      10.123   2.708   0.865  1.00  0.00           H  
HETATM   41  H   UNL     1       8.502   3.394   1.136  1.00  0.00           H  
HETATM   42  H   UNL     1       6.826   1.901  -1.719  1.00  0.00           H  
HETATM   43  H   UNL     1       6.620   2.610  -0.101  1.00  0.00           H  
HETATM   44  H   UNL     1       5.745  -1.679   0.770  1.00  0.00           H  
HETATM   45  H   UNL     1       0.610   1.470   0.436  1.00  0.00           H  
HETATM   46  H   UNL     1       0.626   0.910  -1.254  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.403  -0.131   2.238  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.369  -1.465  -1.813  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.079  -2.228  -0.268  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.093  -1.672   1.423  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.898   0.553  -1.544  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.488   1.157   1.391  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.371   2.286  -0.499  1.00  0.00           H  
HETATM   54  H   UNL     1       2.557   1.763  -0.752  1.00  0.00           H  
HETATM   55  H   UNL     1       7.319  -1.482  -0.580  1.00  0.00           H  
HETATM   56  H   UNL     1       7.225  -0.399  -1.989  1.00  0.00           H  
HETATM   57  H   UNL     1       9.395  -1.850   0.541  1.00  0.00           H  
HETATM   58  H   UNL     1      10.690  -0.630   0.491  1.00  0.00           H  
HETATM   59  H   UNL     1       9.133  -0.245   1.264  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.105   0.714   1.979  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.075  -0.609  -2.075  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.571  -1.157   0.964  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.582  -2.792  -0.649  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.300  -2.468  -0.984  1.00  0.00           H  
HETATM   65  H   UNL     1       9.534  -0.886  -1.687  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.767   1.165   1.017  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.119   0.493   1.959  1.00  0.00           H  
HETATM   68  H   UNL     1       4.977   2.193  -0.873  1.00  0.00           H  
HETATM   69  H   UNL     1       8.859   3.035  -1.242  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.965  -2.321  -2.959  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.192   0.377  -0.899  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.993   3.291   0.444  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.740   3.413   1.510  1.00  0.00           H  
CONECT    1   16    5    4                                            
CONECT    2   28    8   38                                            
CONECT    3   27   39   40   41                                       
CONECT    4    1   27   42   43                                       
CONECT    5    6    1   26   26                                       
CONECT    6    7    7    5   44                                       
CONECT    7   29    6    6   28                                       
CONECT    8    2   18   45   46                                       
CONECT    9   19   20   20   47                                       
CONECT   10   21   21   20   48                                       
CONECT   11   20   30   49   50                                       
CONECT   12   13   22   35   51                                       
CONECT   13   14   12   36   52                                       
CONECT   14   37   25   13   53                                       
CONECT   15   28   28   26   54                                       
CONECT   16   24    1   55   56                                       
CONECT   17   24   57   58   59                                       
CONECT   18    8   19   19   21                                       
CONECT   19   18   18    9   60                                       
CONECT   20    9    9   10   11                                       
CONECT   21   18   10   10   61                                       
CONECT   22   30   12   23   62                                       
CONECT   23   22   34   63   64                                       
CONECT   24   17   16   31   65                                       
CONECT   25   14   30   66   67                                       
CONECT   26    5    5   15   68                                       
CONECT   27   31    4    3   69                                       
CONECT   28    7    2   15   15                                       
CONECT   29   33   33   32    7                                       
CONECT   30   25   11   22                                            
CONECT   31   24   27                                                 
CONECT   32   29                                                      
CONECT   33   29   29                                                 
CONECT   34   23   70                                                 
CONECT   35   12   71                                                 
CONECT   36   13   72                                                 
CONECT   37   14   73                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
