COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.817   1.262   0.131  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.540   1.687   0.076  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.436   0.706   0.050  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.716  -0.663   0.076  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.686  -1.576   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.111   1.146  -0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.083   0.231  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.364  -1.135  -0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.256  -2.120  -0.042  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.535  -3.484  -0.120  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.548  -4.360  -0.149  1.00  0.00           N  
HETATM   12  C   UNL     1       0.706  -3.949  -0.103  1.00  0.00           C  
HETATM   13  C   UNL     1       0.993  -2.588  -0.024  1.00  0.00           C  
HETATM   14  N   UNL     1       2.319  -2.156   0.025  1.00  0.00           N  
HETATM   15  C   UNL     1       3.415  -2.978   0.102  1.00  0.00           C  
HETATM   16  C   UNL     1       4.537  -2.243   0.132  1.00  0.00           C  
HETATM   17  C   UNL     1       4.131  -0.836   0.068  1.00  0.00           C  
HETATM   18  C   UNL     1       2.726  -0.838  -0.004  1.00  0.00           C  
HETATM   19  C   UNL     1       2.044   0.371  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       2.752   1.559  -0.075  1.00  0.00           C  
HETATM   21  O   UNL     1       2.085   2.741  -0.145  1.00  0.00           O  
HETATM   22  C   UNL     1       2.875   3.926  -0.261  1.00  0.00           C  
HETATM   23  C   UNL     1       2.049   5.027  -0.930  1.00  0.00           C  
HETATM   24  C   UNL     1       3.309   4.389   1.131  1.00  0.00           C  
HETATM   25  C   UNL     1       4.143   1.553  -0.003  1.00  0.00           C  
HETATM   26  C   UNL     1       4.828   0.374   0.062  1.00  0.00           C  
HETATM   27  N   UNL     1       0.007  -1.704  -0.001  1.00  0.00           N  
HETATM   28  O   UNL     1      -5.296   2.876   0.047  1.00  0.00           O  
HETATM   29  H   UNL     1      -7.505   1.941   0.146  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.740  -1.004   0.121  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.902  -2.634   0.067  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.894   2.204  -0.033  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.059   0.571  -0.076  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.560  -3.823  -0.158  1.00  0.00           H  
HETATM   35  H   UNL     1       1.511  -4.669  -0.126  1.00  0.00           H  
HETATM   36  H   UNL     1       3.380  -4.057   0.134  1.00  0.00           H  
HETATM   37  H   UNL     1       5.548  -2.617   0.195  1.00  0.00           H  
HETATM   38  H   UNL     1       0.966   0.383  -0.131  1.00  0.00           H  
HETATM   39  H   UNL     1       3.758   3.716  -0.865  1.00  0.00           H  
HETATM   40  H   UNL     1       1.167   5.237  -0.326  1.00  0.00           H  
HETATM   41  H   UNL     1       2.652   5.930  -1.019  1.00  0.00           H  
HETATM   42  H   UNL     1       1.740   4.697  -1.922  1.00  0.00           H  
HETATM   43  H   UNL     1       2.427   4.599   1.736  1.00  0.00           H  
HETATM   44  H   UNL     1       3.898   3.605   1.608  1.00  0.00           H  
HETATM   45  H   UNL     1       3.912   5.292   1.042  1.00  0.00           H  
HETATM   46  H   UNL     1       4.683   2.488  -0.003  1.00  0.00           H  
HETATM   47  H   UNL     1       5.907   0.377   0.118  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    3   28   28    1                                       
CONECT    3    4    4    6    2                                       
CONECT    4    5    3    3   30                                       
CONECT    5    8    8    4   31                                       
CONECT    6    7    7    3   32                                       
CONECT    7    8    6    6   33                                       
CONECT    8    9    5    5    7                                       
CONECT    9   27   27   10    8                                       
CONECT   10   11   11    9   34                                       
CONECT   11   12   10   10                                            
CONECT   12   13   13   11   35                                       
CONECT   13   14   12   12   27                                       
CONECT   14   15   18   13                                            
CONECT   15   16   16   14   36                                       
CONECT   16   17   15   15   37                                       
CONECT   17   26   16   18   18                                       
CONECT   18   17   17   19   14                                       
CONECT   19   20   20   18   38                                       
CONECT   20   25   21   19   19                                       
CONECT   21   20   22                                                 
CONECT   22   21   24   23   39                                       
CONECT   23   22   40   41   42                                       
CONECT   24   22   43   44   45                                       
CONECT   25   26   26   20   46                                       
CONECT   26   25   25   17   47                                       
CONECT   27   13    9    9                                            
CONECT   28    2    2                                                 
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
