COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.912   1.368  -2.685  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.290   2.126  -1.438  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.863   3.379  -1.537  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.210   4.074  -0.393  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.985   3.518   0.853  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.413   2.265   0.959  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.069   1.562  -0.188  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.494   0.289  -0.085  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.289  -0.806  -0.064  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.501  -0.710  -0.134  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.633  -2.117   0.045  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.361  -3.306   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.865  -3.276  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.695  -4.507   0.177  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.309  -4.542   0.253  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.571  -3.380   0.226  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.223  -2.149   0.122  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.535  -0.980   0.091  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.141   0.163  -0.011  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.304   1.416  -0.045  1.00  0.00           C  
HETATM   21  N   UNL     1       1.113   1.058   0.046  1.00  0.00           N  
HETATM   22  N   UNL     1       1.951   0.794  -1.043  1.00  0.00           N  
HETATM   23  C   UNL     1       1.823   0.937   1.204  1.00  0.00           C  
HETATM   24  N   UNL     1       1.530   1.079   2.497  1.00  0.00           N  
HETATM   25  C   UNL     1       2.449   0.892   3.418  1.00  0.00           C  
HETATM   26  N   UNL     1       3.694   0.559   3.125  1.00  0.00           N  
HETATM   27  C   UNL     1       4.083   0.394   1.865  1.00  0.00           C  
HETATM   28  N   UNL     1       5.386   0.045   1.566  1.00  0.00           N  
HETATM   29  C   UNL     1       3.136   0.583   0.845  1.00  0.00           C  
HETATM   30  C   UNL     1       3.159   0.505  -0.617  1.00  0.00           C  
HETATM   31  C   UNL     1       4.291   0.178  -1.431  1.00  0.00           C  
HETATM   32  C   UNL     1       5.219  -0.089  -2.098  1.00  0.00           C  
HETATM   33  C   UNL     1       6.383  -0.425  -2.935  1.00  0.00           C  
HETATM   34  O   UNL     1       7.514  -0.675  -2.099  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.887   1.614  -2.962  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.991   0.298  -2.497  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.585   1.646  -3.496  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.039   3.816  -2.508  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.657   5.054  -0.473  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.257   4.063   1.745  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.238   1.831   1.932  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.171  -3.212  -1.052  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.271  -4.186   0.434  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.242  -2.409   0.535  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.256  -5.430   0.200  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.803  -5.493   0.334  1.00  0.00           H  
HETATM   47  H   UNL     1       0.506  -3.420   0.286  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.486   1.949  -0.978  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.572   2.055   0.797  1.00  0.00           H  
HETATM   50  H   UNL     1       2.176   1.015   4.455  1.00  0.00           H  
HETATM   51  H   UNL     1       6.030  -0.082   2.279  1.00  0.00           H  
HETATM   52  H   UNL     1       5.656  -0.072   0.641  1.00  0.00           H  
HETATM   53  H   UNL     1       6.162  -1.316  -3.524  1.00  0.00           H  
HETATM   54  H   UNL     1       6.602   0.407  -3.604  1.00  0.00           H  
HETATM   55  H   UNL     1       8.319  -0.903  -2.585  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   19                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   17   17                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   42   43   44                                       
CONECT   14   12   12   15   45                                       
CONECT   15   14   16   16   46                                       
CONECT   16   15   15   17   47                                       
CONECT   17   11   11   16   18                                       
CONECT   18   17   19   19                                            
CONECT   19    8   18   18   20                                       
CONECT   20   19   21   48   49                                       
CONECT   21   20   22   23                                            
CONECT   22   21   30   30                                            
CONECT   23   21   24   29   29                                       
CONECT   24   23   25   25                                            
CONECT   25   24   24   26   50                                       
CONECT   26   25   27   27                                            
CONECT   27   26   26   28   29                                       
CONECT   28   27   51   52                                            
CONECT   29   23   23   27   30                                       
CONECT   30   22   22   29   31                                       
CONECT   31   30   32   32   32                                       
CONECT   32   31   31   31   33                                       
CONECT   33   32   34   53   54                                       
CONECT   34   33   55                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   25                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   33                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
