COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.603  -0.467  -2.271  1.00  0.00           C  
HETATM    2  C   UNL     1       0.430  -0.231  -3.173  1.00  0.00           C  
HETATM    3  O   UNL     1       0.588  -1.140  -4.169  1.00  0.00           O  
HETATM    4  O   UNL     1       2.260   1.200  -3.849  1.00  0.00           O  
HETATM    5  C   UNL     1       1.234   0.885  -3.015  1.00  0.00           C  
HETATM    6  C   UNL     1       1.000   1.761  -1.954  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.021   1.530  -1.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.837   0.410  -1.218  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.943   0.154  -0.265  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.318   0.179  -0.557  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.926   0.479  -1.903  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.980  -0.094   0.534  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.813  -0.164   1.080  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.073  -0.314   1.577  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.549  -0.306   1.831  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.229   0.601   2.841  1.00  0.00           C  
HETATM   17  C   UNL     1       0.951   0.464   3.540  1.00  0.00           C  
HETATM   18  C   UNL     1       1.296   1.446   4.631  1.00  0.00           C  
HETATM   19  C   UNL     1       0.744   0.940   5.965  1.00  0.00           C  
HETATM   20  C   UNL     1       1.826  -0.570   3.239  1.00  0.00           C  
HETATM   21  C   UNL     1       1.365  -0.556  -5.209  1.00  0.00           C  
HETATM   22  O   UNL     1       2.988  -0.698   3.932  1.00  0.00           O  
HETATM   23  C   UNL     1       1.513  -1.481   2.240  1.00  0.00           C  
HETATM   24  C   UNL     1       2.632   0.038  -4.582  1.00  0.00           C  
HETATM   25  C   UNL     1       0.331  -1.354   1.532  1.00  0.00           C  
HETATM   26  O   UNL     1       0.027  -2.242   0.550  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.231  -1.337  -2.392  1.00  0.00           H  
HETATM   28  H   UNL     1       1.630   2.630  -1.831  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.192   2.215  -0.244  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.100   1.551  -1.992  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.245   0.154  -2.689  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.873  -0.051  -2.000  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.301  -0.536   2.494  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.905   1.410   3.075  1.00  0.00           H  
HETATM   35  H   UNL     1       0.855   2.415   4.399  1.00  0.00           H  
HETATM   36  H   UNL     1       2.379   1.546   4.700  1.00  0.00           H  
HETATM   37  H   UNL     1       0.993   1.650   6.754  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.339   0.840   5.896  1.00  0.00           H  
HETATM   39  H   UNL     1       1.184  -0.029   6.196  1.00  0.00           H  
HETATM   40  H   UNL     1       0.792   0.232  -5.698  1.00  0.00           H  
HETATM   41  H   UNL     1       1.638  -1.319  -5.938  1.00  0.00           H  
HETATM   42  H   UNL     1       3.656  -0.190   3.452  1.00  0.00           H  
HETATM   43  H   UNL     1       2.194  -2.288   2.012  1.00  0.00           H  
HETATM   44  H   UNL     1       3.339   0.308  -5.366  1.00  0.00           H  
HETATM   45  H   UNL     1       3.086  -0.690  -3.910  1.00  0.00           H  
HETATM   46  H   UNL     1       0.393  -1.886  -0.271  1.00  0.00           H  
CONECT    1    2    2    8   27                                       
CONECT    2    1    1    3    5                                       
CONECT    3    2   21                                                 
CONECT    4    5   24                                                 
CONECT    5    2    4    6    6                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    1    7    7    9                                       
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   30   31   32                                       
CONECT   12   10   10   14                                            
CONECT   13    9    9   14   15                                       
CONECT   14   12   13   33                                            
CONECT   15   13   16   16   25                                       
CONECT   16   15   15   17   34                                       
CONECT   17   16   18   20   20                                       
CONECT   18   17   19   35   36                                       
CONECT   19   18   37   38   39                                       
CONECT   20   17   17   22   23                                       
CONECT   21    3   24   40   41                                       
CONECT   22   20   42                                                 
CONECT   23   20   25   25   43                                       
CONECT   24    4   21   44   45                                       
CONECT   25   15   23   23   26                                       
CONECT   26   25   46                                                 
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
