COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.220   0.883   0.944  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.330  -0.541   0.917  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.553   1.487   1.394  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.863   1.030   2.712  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.654   1.046   0.423  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.873   1.719   0.743  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.222   1.407  -1.003  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.167   2.829  -1.140  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.840   0.808  -1.272  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.891   1.358  -0.360  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.415   1.133  -2.705  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.181   0.475  -2.997  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.090  -1.026   0.646  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.906  -2.387   0.445  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.648  -2.886   0.163  1.00  0.00           C  
HETATM   16  C   UNL     1       0.436  -2.035   0.090  1.00  0.00           C  
HETATM   17  C   UNL     1       0.261  -0.665   0.296  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.010  -0.163   0.575  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.461  -4.338  -0.055  1.00  0.00           N1+
HETATM   20  O   UNL     1       0.648  -4.780  -0.299  1.00  0.00           O1-
HETATM   21  O   UNL     1      -1.416  -5.091   0.009  1.00  0.00           O  
HETATM   22  C   UNL     1       1.420   0.250   0.218  1.00  0.00           C  
HETATM   23  O   UNL     1       1.266   1.443   0.397  1.00  0.00           O  
HETATM   24  N   UNL     1       2.647  -0.237  -0.052  1.00  0.00           N  
HETATM   25  O   UNL     1       8.684   1.482   0.768  1.00  0.00           O  
HETATM   26  C   UNL     1       8.658   0.812  -0.492  1.00  0.00           C  
HETATM   27  C   UNL     1       7.411  -0.067  -0.584  1.00  0.00           C  
HETATM   28  N   UNL     1       6.210   0.776  -0.523  1.00  0.00           N  
HETATM   29  C   UNL     1       6.266   1.497   0.756  1.00  0.00           C  
HETATM   30  C   UNL     1       7.542   2.337   0.814  1.00  0.00           C  
HETATM   31  C   UNL     1       5.059  -0.133  -0.446  1.00  0.00           C  
HETATM   32  C   UNL     1       3.795   0.670  -0.129  1.00  0.00           C  
HETATM   33  H   UNL     1      -2.436   1.173   1.644  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.479   2.575   1.393  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.143   1.323   3.287  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.800  -0.031   0.501  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.098   1.473   1.651  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.940   1.000  -1.715  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.055   3.162  -0.956  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.882  -0.273  -1.143  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.286   2.210  -2.811  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.183   0.789  -3.399  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.949   0.705  -3.907  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.751  -3.058   0.501  1.00  0.00           H  
HETATM   45  H   UNL     1       1.418  -2.428  -0.127  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.151   0.896   0.735  1.00  0.00           H  
HETATM   47  H   UNL     1       2.770  -1.189  -0.195  1.00  0.00           H  
HETATM   48  H   UNL     1       9.548   0.191  -0.591  1.00  0.00           H  
HETATM   49  H   UNL     1       8.642   1.550  -1.295  1.00  0.00           H  
HETATM   50  H   UNL     1       7.402  -0.773   0.247  1.00  0.00           H  
HETATM   51  H   UNL     1       7.422  -0.616  -1.526  1.00  0.00           H  
HETATM   52  H   UNL     1       5.397   2.149   0.843  1.00  0.00           H  
HETATM   53  H   UNL     1       6.265   0.780   1.577  1.00  0.00           H  
HETATM   54  H   UNL     1       7.556   2.911   1.741  1.00  0.00           H  
HETATM   55  H   UNL     1       7.565   3.020  -0.035  1.00  0.00           H  
HETATM   56  H   UNL     1       5.229  -0.868   0.341  1.00  0.00           H  
HETATM   57  H   UNL     1       4.935  -0.644  -1.400  1.00  0.00           H  
HETATM   58  H   UNL     1       3.625   1.405  -0.916  1.00  0.00           H  
HETATM   59  H   UNL     1       3.919   1.181   0.825  1.00  0.00           H  
CONECT    1    2    3   10   33                                       
CONECT    2    1   13                                                 
CONECT    3    1    4    5   34                                       
CONECT    4    3   35                                                 
CONECT    5    3    6    7   36                                       
CONECT    6    5   37                                                 
CONECT    7    5    8    9   38                                       
CONECT    8    7   39                                                 
CONECT    9    7   10   11   40                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   41   42                                       
CONECT   12   11   43                                                 
CONECT   13    2   14   14   18                                       
CONECT   14   13   13   15   44                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   45                                       
CONECT   17   16   18   18   22                                       
CONECT   18   13   17   17   46                                       
CONECT   19   15   20   21   21                                       
CONECT   20   19                                                      
CONECT   21   19   19                                                 
CONECT   22   17   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   32   47                                            
CONECT   25   26   30                                                 
CONECT   26   25   27   48   49                                       
CONECT   27   26   28   50   51                                       
CONECT   28   27   29   31                                            
CONECT   29   28   30   52   53                                       
CONECT   30   25   29   54   55                                       
CONECT   31   28   32   56   57                                       
CONECT   32   24   31   58   59                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
