COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.923  -3.281  -0.056  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.381  -2.647  -1.236  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.030  -1.364  -1.471  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.242  -0.701  -0.570  1.00  0.00           N  
HETATM    5  N   UNL     1      -3.148  -2.593   0.807  1.00  0.00           N  
HETATM    6  C   UNL     1       3.988   0.739  -0.053  1.00  0.00           C  
HETATM    7  C   UNL     1       3.508   1.469  -1.311  1.00  0.00           C  
HETATM    8  C   UNL     1       2.386   2.438  -0.936  1.00  0.00           C  
HETATM    9  C   UNL     1       2.804   0.011   0.588  1.00  0.00           C  
HETATM   10  C   UNL     1       1.701   1.023   0.908  1.00  0.00           C  
HETATM   11  N   UNL     1       1.276   1.693  -0.327  1.00  0.00           N  
HETATM   12  C   UNL     1       0.125   2.571  -0.080  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.087   1.724   0.316  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.437   0.826  -0.749  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.332   2.625   0.512  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.391   3.140   1.844  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.476   1.608   0.254  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.641   2.268  -0.244  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.861   0.690  -0.825  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.230  -4.435   0.180  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.814  -1.315   0.548  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.114  -0.707   1.335  1.00  0.00           O  
HETATM   23  H   UNL     1      -5.002  -3.182  -1.939  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.369  -0.864  -2.366  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.831  -3.020   1.618  1.00  0.00           H  
HETATM   26  C   UNL     1       7.168  -2.731   1.304  1.00  0.00           C  
HETATM   27  H   UNL     1       4.397   1.462   0.653  1.00  0.00           H  
HETATM   28  H   UNL     1       4.338   2.024  -1.748  1.00  0.00           H  
HETATM   29  H   UNL     1       3.135   0.742  -2.033  1.00  0.00           H  
HETATM   30  H   UNL     1       2.763   3.173  -0.224  1.00  0.00           H  
HETATM   31  H   UNL     1       2.032   2.949  -1.831  1.00  0.00           H  
HETATM   32  H   UNL     1       2.420  -0.739  -0.104  1.00  0.00           H  
HETATM   33  H   UNL     1       3.130  -0.476   1.507  1.00  0.00           H  
HETATM   34  H   UNL     1       0.851   0.505   1.352  1.00  0.00           H  
HETATM   35  H   UNL     1       2.082   1.764   1.611  1.00  0.00           H  
HETATM   36  H   UNL     1       0.363   3.264   0.726  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.105   3.132  -0.986  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.875   1.166   1.228  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.351   3.433  -0.220  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.154   3.710   2.012  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.707   1.046   1.159  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.014   2.921   0.365  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.209   0.994  -1.812  1.00  0.00           H  
HETATM   44  C   UNL     1       6.640  -1.961   0.092  1.00  0.00           C  
HETATM   45  O   UNL     1       5.622  -1.020   0.524  1.00  0.00           O  
HETATM   46  C   UNL     1       5.052  -0.261  -0.426  1.00  0.00           C  
HETATM   47  O   UNL     1       5.393  -0.379  -1.579  1.00  0.00           O  
HETATM   48  H   UNL     1       6.349  -3.273   1.776  1.00  0.00           H  
HETATM   49  H   UNL     1       7.933  -3.438   0.980  1.00  0.00           H  
HETATM   50  H   UNL     1       7.601  -2.031   2.019  1.00  0.00           H  
HETATM   51  H   UNL     1       7.459  -1.419  -0.380  1.00  0.00           H  
HETATM   52  H   UNL     1       6.207  -2.661  -0.623  1.00  0.00           H  
CONECT    1    2    5   20   20                                       
CONECT    2    1    3    3   23                                       
CONECT    3    2    2    4   24                                       
CONECT    4    3   19   21                                            
CONECT    5    1   21   25                                            
CONECT    6    7    9   46   27                                       
CONECT    7    6    8   28   29                                       
CONECT    8    7   11   30   31                                       
CONECT    9    6   10   32   33                                       
CONECT   10    9   11   34   35                                       
CONECT   11    8   10   12                                            
CONECT   12   11   13   36   37                                       
CONECT   13   12   14   15   38                                       
CONECT   14   13   19                                                 
CONECT   15   13   16   17   39                                       
CONECT   16   15   40                                                 
CONECT   17   15   18   19   41                                       
CONECT   18   17   42                                                 
CONECT   19    4   14   17   43                                       
CONECT   20    1    1                                                 
CONECT   21    4    5   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    5                                                      
CONECT   26   44   48   49   50                                       
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   26   45   51   52                                       
CONECT   45   44   46                                                 
CONECT   46    6   45   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   44                                                      
CONECT   52   44                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
