COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.148   2.856   2.068  1.00  0.00           C  
HETATM    2  C   UNL     1       6.275   3.786   1.618  1.00  0.00           C  
HETATM    3  O   UNL     1       5.860   4.526   0.470  1.00  0.00           O  
HETATM    4  C   UNL     1       5.625   3.585  -0.577  1.00  0.00           C  
HETATM    5  C   UNL     1       4.481   2.649  -0.183  1.00  0.00           C  
HETATM    6  N   UNL     1       4.864   1.880   1.008  1.00  0.00           N  
HETATM    7  C   UNL     1       3.671   1.133   1.430  1.00  0.00           C  
HETATM    8  C   UNL     1       3.264   0.156   0.326  1.00  0.00           C  
HETATM    9  C   UNL     1       4.361  -0.895   0.145  1.00  0.00           C  
HETATM   10  N   UNL     1       3.919  -1.902  -0.829  1.00  0.00           N  
HETATM   11  C   UNL     1       5.091  -2.733  -1.139  1.00  0.00           C  
HETATM   12  C   UNL     1       4.749  -3.695  -2.277  1.00  0.00           C  
HETATM   13  O   UNL     1       4.440  -2.954  -3.458  1.00  0.00           O  
HETATM   14  C   UNL     1       3.276  -2.178  -3.176  1.00  0.00           C  
HETATM   15  C   UNL     1       3.580  -1.177  -2.061  1.00  0.00           C  
HETATM   16  N   UNL     1       2.011  -0.506   0.697  1.00  0.00           N  
HETATM   17  C   UNL     1       0.835   0.126   0.510  1.00  0.00           C  
HETATM   18  O   UNL     1       0.806   1.203  -0.052  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.420  -0.493   0.988  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.639   0.158   0.795  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.390  -1.730   1.633  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.563  -2.305   2.077  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.530  -3.617   2.761  1.00  0.00           N1+
HETATM   24  O   UNL     1      -0.467  -4.188   2.930  1.00  0.00           O1-
HETATM   25  O   UNL     1      -2.564  -4.126   3.154  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.770  -1.656   1.890  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.811  -0.427   1.245  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.000   0.204   1.059  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.732   1.367   0.274  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.300   0.972  -1.027  1.00  0.00           O  
HETATM   31  C   UNL     1      -4.268   0.061  -1.545  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.753  -0.537  -2.855  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.589  -1.324  -2.595  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.584   0.798  -1.804  1.00  0.00           C  
HETATM   35  O   UNL     1      -5.365   1.867  -2.726  1.00  0.00           O  
HETATM   36  C   UNL     1      -6.110   1.362  -0.479  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.258   2.178  -0.724  1.00  0.00           O  
HETATM   38  C   UNL     1      -5.006   2.209   0.164  1.00  0.00           C  
HETATM   39  O   UNL     1      -5.418   2.625   1.467  1.00  0.00           O  
HETATM   40  H   UNL     1       4.252   3.443   2.270  1.00  0.00           H  
HETATM   41  H   UNL     1       5.451   2.331   2.974  1.00  0.00           H  
HETATM   42  H   UNL     1       6.520   4.476   2.425  1.00  0.00           H  
HETATM   43  H   UNL     1       7.156   3.194   1.368  1.00  0.00           H  
HETATM   44  H   UNL     1       5.360   4.117  -1.490  1.00  0.00           H  
HETATM   45  H   UNL     1       6.529   3.000  -0.748  1.00  0.00           H  
HETATM   46  H   UNL     1       4.271   1.966  -1.005  1.00  0.00           H  
HETATM   47  H   UNL     1       3.590   3.238   0.036  1.00  0.00           H  
HETATM   48  H   UNL     1       2.854   1.830   1.618  1.00  0.00           H  
HETATM   49  H   UNL     1       3.893   0.579   2.342  1.00  0.00           H  
HETATM   50  H   UNL     1       3.125   0.700  -0.608  1.00  0.00           H  
HETATM   51  H   UNL     1       5.270  -0.414  -0.217  1.00  0.00           H  
HETATM   52  H   UNL     1       4.562  -1.379   1.101  1.00  0.00           H  
HETATM   53  H   UNL     1       5.920  -2.093  -1.440  1.00  0.00           H  
HETATM   54  H   UNL     1       5.375  -3.303  -0.254  1.00  0.00           H  
HETATM   55  H   UNL     1       5.601  -4.346  -2.470  1.00  0.00           H  
HETATM   56  H   UNL     1       3.888  -4.300  -1.994  1.00  0.00           H  
HETATM   57  H   UNL     1       2.973  -1.639  -4.074  1.00  0.00           H  
HETATM   58  H   UNL     1       2.468  -2.838  -2.860  1.00  0.00           H  
HETATM   59  H   UNL     1       2.704  -0.552  -1.885  1.00  0.00           H  
HETATM   60  H   UNL     1       4.420  -0.549  -2.356  1.00  0.00           H  
HETATM   61  H   UNL     1       2.027  -1.398   1.077  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.669   1.116   0.296  1.00  0.00           H  
HETATM   63  H   UNL     1       0.551  -2.238   1.784  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.685  -2.110   2.240  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.949   1.955   0.753  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.436  -0.738  -0.823  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.501   0.267  -3.547  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.526  -1.166  -3.296  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.298  -1.682  -3.445  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.314   0.102  -2.219  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.217   2.305  -2.855  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.378   0.543   0.188  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.545   2.520   0.133  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.811   3.085  -0.454  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.692   3.147   1.836  1.00  0.00           H  
CONECT    1    2    6   40   41                                       
CONECT    2    1    3   42   43                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   44   45                                       
CONECT    5    4    6   46   47                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8   48   49                                       
CONECT    8    7    9   16   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   11   15                                            
CONECT   11   10   12   53   54                                       
CONECT   12   11   13   55   56                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   57   58                                       
CONECT   15   10   14   59   60                                       
CONECT   16    8   17   61                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   20   21                                       
CONECT   20   19   19   27   62                                       
CONECT   21   19   22   22   63                                       
CONECT   22   21   21   23   26                                       
CONECT   23   22   24   25   25                                       
CONECT   24   23                                                      
CONECT   25   23   23                                                 
CONECT   26   22   27   27   64                                       
CONECT   27   20   26   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   38   65                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   34   66                                       
CONECT   32   31   33   67   68                                       
CONECT   33   32   69                                                 
CONECT   34   31   35   36   70                                       
CONECT   35   34   71                                                 
CONECT   36   34   37   38   72                                       
CONECT   37   36   73                                                 
CONECT   38   29   36   39   74                                       
CONECT   39   38   75                                                 
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   26                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
