COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.413   0.780   0.327  1.00  0.00           C  
HETATM    2  O   UNL     1       3.496   1.490   1.309  1.00  0.00           O  
HETATM    3  O   UNL     1       4.521   0.223  -0.197  1.00  0.00           O  
HETATM    4  C   UNL     1       5.781   0.516   0.463  1.00  0.00           C  
HETATM    5  C   UNL     1       6.901  -0.188  -0.259  1.00  0.00           C  
HETATM    6  C   UNL     1       7.562   0.445  -1.295  1.00  0.00           C  
HETATM    7  C   UNL     1       8.589  -0.200  -1.957  1.00  0.00           C  
HETATM    8  C   UNL     1       8.956  -1.479  -1.583  1.00  0.00           C  
HETATM    9  C   UNL     1       8.296  -2.113  -0.547  1.00  0.00           C  
HETATM   10  C   UNL     1       7.271  -1.465   0.118  1.00  0.00           C  
HETATM   11  N   UNL     1       2.210   0.544  -0.234  1.00  0.00           N  
HETATM   12  C   UNL     1       1.003   1.145   0.340  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.196   0.306  -0.020  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.056  -0.695  -0.691  1.00  0.00           O  
HETATM   15  C   UNL     1       0.823   2.559  -0.217  1.00  0.00           C  
HETATM   16  C   UNL     1       1.979   3.444   0.253  1.00  0.00           C  
HETATM   17  C   UNL     1       1.867   4.821  -0.403  1.00  0.00           C  
HETATM   18  C   UNL     1       1.918   3.597   1.774  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.423   0.669   0.402  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.589  -0.147   0.052  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.827   0.711   0.076  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.745   1.888   0.359  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.737  -1.286   1.064  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.554  -2.213   0.953  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.426  -1.988   1.720  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.599  -3.291   0.089  1.00  0.00           C  
HETATM   27  C   UNL     1       0.659  -2.839   1.618  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.514  -4.141  -0.012  1.00  0.00           C  
HETATM   29  C   UNL     1       0.616  -3.914   0.751  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.027   0.170  -0.215  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.231   1.004  -0.192  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.430   0.166  -0.552  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.292  -1.016  -0.804  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.695   0.743  -0.596  1.00  0.00           C  
HETATM   35  N   UNL     1      -9.689   0.047  -0.895  1.00  0.00           N1+
HETATM   36  N   UNL     1     -10.584  -0.579  -1.163  1.00  0.00           N1-
HETATM   37  H   UNL     1       5.958   1.591   0.448  1.00  0.00           H  
HETATM   38  H   UNL     1       5.739   0.169   1.495  1.00  0.00           H  
HETATM   39  H   UNL     1       7.275   1.445  -1.587  1.00  0.00           H  
HETATM   40  H   UNL     1       9.105   0.295  -2.766  1.00  0.00           H  
HETATM   41  H   UNL     1       9.759  -1.984  -2.101  1.00  0.00           H  
HETATM   42  H   UNL     1       8.582  -3.112  -0.255  1.00  0.00           H  
HETATM   43  H   UNL     1       6.758  -1.959   0.930  1.00  0.00           H  
HETATM   44  H   UNL     1       2.144  -0.023  -1.018  1.00  0.00           H  
HETATM   45  H   UNL     1       1.102   1.192   1.424  1.00  0.00           H  
HETATM   46  H   UNL     1       0.814   2.521  -1.306  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.120   2.972   0.140  1.00  0.00           H  
HETATM   48  H   UNL     1       2.926   2.984  -0.027  1.00  0.00           H  
HETATM   49  H   UNL     1       0.919   5.281  -0.123  1.00  0.00           H  
HETATM   50  H   UNL     1       2.690   5.452  -0.068  1.00  0.00           H  
HETATM   51  H   UNL     1       1.910   4.712  -1.487  1.00  0.00           H  
HETATM   52  H   UNL     1       0.970   4.057   2.055  1.00  0.00           H  
HETATM   53  H   UNL     1       1.998   2.616   2.242  1.00  0.00           H  
HETATM   54  H   UNL     1       2.741   4.228   2.109  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.535   1.469   0.938  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.454  -0.563  -0.946  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.782  -0.873   2.071  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.653  -1.839   0.856  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.392  -1.148   2.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.482  -3.469  -0.506  1.00  0.00           H  
HETATM   61  H   UNL     1       1.541  -2.663   2.217  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.549  -4.984  -0.687  1.00  0.00           H  
HETATM   63  H   UNL     1       1.464  -4.578   0.671  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.093  -0.771  -0.441  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.366   1.421   0.807  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.126   1.816  -0.912  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.818   1.792  -0.372  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   37   38                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    8   10   10   42                                       
CONECT   10    5    9    9   43                                       
CONECT   11   12   44    1                                            
CONECT   12   11   13   15   45                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   46   47                                       
CONECT   16   15   17   18   48                                       
CONECT   17   16   49   50   51                                       
CONECT   18   16   52   53   54                                       
CONECT   19   20   55   13                                            
CONECT   20   19   21   23   56                                       
CONECT   21   20   22   22   30                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   57   58                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24   27   59                                       
CONECT   26   24   28   28   60                                       
CONECT   27   25   29   29   61                                       
CONECT   28   26   26   29   62                                       
CONECT   29   27   27   28   63                                       
CONECT   30   31   64   21                                            
CONECT   31   30   32   65   66                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   35   35   67   32                                       
CONECT   35   34   34   36   36                                       
CONECT   36   35   35                                                 
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
