COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.997  -0.139   0.217  1.00  0.00           N  
HETATM    2  N   UNL     1       3.831   0.695  -0.876  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.370  -0.561  -0.219  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.191   0.384  -0.459  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.526   1.770   0.097  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.880   0.811   0.124  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.763   0.380   1.076  1.00  0.00           C  
HETATM    8  C   UNL     1       0.414   1.946   0.110  1.00  0.00           C  
HETATM    9  C   UNL     1       4.949   0.094  -0.376  1.00  0.00           C  
HETATM   10  C   UNL     1       7.205  -0.637  -0.744  1.00  0.00           C  
HETATM   11  C   UNL     1       6.035  -0.961   1.485  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.632   2.514   1.735  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.023  -1.951  -0.760  1.00  0.00           C  
HETATM   14  C   UNL     1       1.581   1.651  -0.798  1.00  0.00           C  
HETATM   15  C   UNL     1       2.697   0.981   0.007  1.00  0.00           C  
HETATM   16  C   UNL     1       6.080  -0.048  -1.204  1.00  0.00           C  
HETATM   17  C   UNL     1       7.239  -1.134   0.647  1.00  0.00           C  
HETATM   18  C   UNL     1       4.946  -0.362   0.956  1.00  0.00           C  
HETATM   19  C   UNL     1       0.395   3.111   0.856  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.748  -2.452  -0.074  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.616  -1.452  -0.319  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.618   1.355   0.981  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.592   1.094   0.189  1.00  0.00           N  
HETATM   24  N   UNL     1       6.034   0.454  -2.596  1.00  0.00           N1+
HETATM   25  N   UNL     1       8.307  -1.713   1.123  1.00  0.00           N  
HETATM   26  N   UNL     1       8.319  -2.086   2.183  1.00  0.00           N1+
HETATM   27  N   UNL     1       8.330  -2.460   3.243  1.00  0.00           N1-
HETATM   28  N   UNL     1      -0.627   3.369   1.652  1.00  0.00           N  
HETATM   29  O   UNL     1      -8.099  -2.851  -0.488  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.386  -3.725  -0.614  1.00  0.00           O  
HETATM   31  O   UNL     1      -8.527  -0.062  -0.894  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.879   1.656   1.477  1.00  0.00           O  
HETATM   33  O   UNL     1       6.615  -0.228  -3.561  1.00  0.00           O1-
HETATM   34  O   UNL     1       5.412   1.583  -2.869  1.00  0.00           O  
HETATM   35  H   UNL     1       3.786   0.932  -1.815  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.572  -0.626   0.850  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.998   0.460  -1.530  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.657   2.421  -0.003  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.363   2.192  -0.458  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.501   0.827  -0.898  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.227   1.807   0.398  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.143   0.364   2.098  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.416  -0.616   0.802  1.00  0.00           H  
HETATM   44  H   UNL     1       8.067  -0.746  -1.386  1.00  0.00           H  
HETATM   45  H   UNL     1       6.024  -1.313   2.506  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.468   2.725   2.386  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.859  -1.892  -1.836  1.00  0.00           H  
HETATM   48  H   UNL     1       1.259   0.985  -1.598  1.00  0.00           H  
HETATM   49  H   UNL     1       1.951   2.582  -1.227  1.00  0.00           H  
HETATM   50  H   UNL     1       2.326   0.050   0.436  1.00  0.00           H  
HETATM   51  H   UNL     1       3.018   1.648   0.807  1.00  0.00           H  
HETATM   52  H   UNL     1       4.062  -0.232   1.562  1.00  0.00           H  
HETATM   53  H   UNL     1       1.216   3.809   0.788  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.925  -2.547   0.997  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.431  -1.368  -1.390  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.711  -1.799   0.180  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.946  -3.752  -0.804  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.586  -4.103  -0.225  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.314  -0.612  -0.785  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.104   2.497   1.896  1.00  0.00           H  
CONECT    1   21    4    6                                            
CONECT    2    9   15   35                                            
CONECT    3   13   31    4   36                                       
CONECT    4    3    1    5   37                                       
CONECT    5   32    4   38   39                                       
CONECT    6    1    7   40   41                                       
CONECT    7    6   22   42   43                                       
CONECT    8   14   23   23   19                                       
CONECT    9   16    2   18   18                                       
CONECT   10   16   16   17   44                                       
CONECT   11   17   17   18   45                                       
CONECT   12   22   22   28   46                                       
CONECT   13   29   20    3   47                                       
CONECT   14   15    8   48   49                                       
CONECT   15    2   14   50   51                                       
CONECT   16   24   10   10    9                                       
CONECT   17   10   25   11   11                                       
CONECT   18    9    9   11   52                                       
CONECT   19    8   28   28   53                                       
CONECT   20   30   13   21   54                                       
CONECT   21   20    1   55   56                                       
CONECT   22   23    7   12   12                                       
CONECT   23    8    8   22                                            
CONECT   24   34   34   33   16                                       
CONECT   25   17   26   26                                            
CONECT   26   27   27   25   25                                       
CONECT   27   26   26                                                 
CONECT   28   19   19   12                                            
CONECT   29   13   57                                                 
CONECT   30   20   58                                                 
CONECT   31    3   59                                                 
CONECT   32    5   60                                                 
CONECT   33   24                                                      
CONECT   34   24   24                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
