COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.153  -1.912   0.748  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.803  -0.580   0.238  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.353  -0.564  -0.172  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.776  -1.606  -0.400  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.679  -0.251  -0.973  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.118  -0.146  -0.538  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.925  -1.268  -0.544  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.629   1.071  -0.129  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.245  -1.172  -0.145  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.950   1.169   0.266  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.758   0.047   0.260  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.697   0.608  -0.286  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.289   0.768  -0.675  1.00  0.00           C  
HETATM   14  C   UNL     1       0.598   0.036   0.299  1.00  0.00           C  
HETATM   15  O   UNL     1       0.109  -0.565   1.232  1.00  0.00           O  
HETATM   16  C   UNL     1       0.027   2.278  -0.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.062   2.841   0.308  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.276   1.943  -0.046  1.00  0.00           C  
HETATM   19  N   UNL     1       1.936   0.048   0.133  1.00  0.00           N  
HETATM   20  C   UNL     1       2.798  -0.664   1.079  1.00  0.00           C  
HETATM   21  C   UNL     1       4.239  -0.494   0.672  1.00  0.00           C  
HETATM   22  C   UNL     1       4.821  -1.402  -0.195  1.00  0.00           C  
HETATM   23  C   UNL     1       6.140  -1.252  -0.572  1.00  0.00           C  
HETATM   24  C   UNL     1       6.886  -0.182  -0.077  1.00  0.00           C  
HETATM   25  C   UNL     1       8.301  -0.015  -0.478  1.00  0.00           C  
HETATM   26  N   UNL     1       9.039  -1.082  -0.776  1.00  0.00           N1+
HETATM   27  N   UNL     1       8.836   1.203  -0.540  1.00  0.00           N  
HETATM   28  C   UNL     1       6.293   0.730   0.796  1.00  0.00           C  
HETATM   29  C   UNL     1       4.972   0.572   1.161  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.009  -2.619   0.042  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.634  -2.126   1.586  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.968   0.163   1.018  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.360   0.697  -1.405  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.581  -1.041  -1.718  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.525  -2.220  -0.859  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.997   1.947  -0.120  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.876  -2.048  -0.149  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.351   2.121   0.582  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.789   0.122   0.571  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.136   0.378  -1.681  1.00  0.00           H  
HETATM   41  H   UNL     1       1.023   2.453  -0.237  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.067   2.715  -1.638  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.771   2.717   1.351  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.273   3.887   0.085  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.773   2.313  -0.942  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.976   1.905   0.789  1.00  0.00           H  
HETATM   47  H   UNL     1       2.327   0.529  -0.613  1.00  0.00           H  
HETATM   48  H   UNL     1       2.653  -0.257   2.080  1.00  0.00           H  
HETATM   49  H   UNL     1       2.543  -1.723   1.077  1.00  0.00           H  
HETATM   50  H   UNL     1       4.243  -2.230  -0.577  1.00  0.00           H  
HETATM   51  H   UNL     1       6.594  -1.961  -1.248  1.00  0.00           H  
HETATM   52  H   UNL     1       9.967  -0.972  -1.038  1.00  0.00           H  
HETATM   53  H   UNL     1       8.298   1.981  -0.323  1.00  0.00           H  
HETATM   54  H   UNL     1       9.763   1.313  -0.803  1.00  0.00           H  
HETATM   55  H   UNL     1       6.866   1.561   1.183  1.00  0.00           H  
HETATM   56  H   UNL     1       4.510   1.280   1.834  1.00  0.00           H  
HETATM   57  H   UNL     1       8.650  -1.969  -0.730  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    3    1    5   32                                       
CONECT    3   12    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   33   34                                       
CONECT    6    7    5    8    8                                       
CONECT    7    9    9    6   35                                       
CONECT    8    6    6   10   36                                       
CONECT    9    7    7   11   37                                       
CONECT   10   11   11    8   38                                       
CONECT   11    9   10   10   39                                       
CONECT   12   13   18    3                                            
CONECT   13   16   14   12   40                                       
CONECT   14   15   15   19   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   13   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   12   45   46                                       
CONECT   19   20   14   47                                            
CONECT   20   19   21   48   49                                       
CONECT   21   20   29   29   22                                       
CONECT   22   21   23   23   50                                       
CONECT   23   22   22   24   51                                       
CONECT   24   28   28   23   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25   52   57                                       
CONECT   27   25   53   54                                            
CONECT   28   29   24   24   55                                       
CONECT   29   21   21   28   56                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   26                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
