COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.503  -0.162  -1.074  1.00  0.00           C  
HETATM    2  C   UNL     1       4.535   1.023  -1.037  1.00  0.00           C  
HETATM    3  O   UNL     1       4.757   1.854  -2.178  1.00  0.00           O  
HETATM    4  C   UNL     1       3.072   0.498  -1.054  1.00  0.00           C  
HETATM    5  O   UNL     1       2.920  -0.587  -1.964  1.00  0.00           O  
HETATM    6  C   UNL     1       2.773  -0.911  -0.577  1.00  0.00           C  
HETATM    7  C   UNL     1       1.328  -1.229  -0.273  1.00  0.00           C  
HETATM    8  C   UNL     1       0.904  -2.526  -0.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.451  -2.815   0.029  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.863  -4.099   0.173  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.379  -1.771   0.047  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.821  -2.061   0.134  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.206  -3.209   0.251  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.796  -0.956   0.080  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.161  -1.227   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.075  -0.190   0.008  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.643   1.126  -0.003  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.551   2.135  -0.039  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.931   1.765  -0.064  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.275   1.420   0.023  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.855   2.710   0.016  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.346   0.380   0.057  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.901   0.670   0.046  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.511   1.822   0.081  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.931  -0.435  -0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       0.438  -0.162  -0.143  1.00  0.00           C  
HETATM   27  N   UNL     1       0.903   1.115  -0.080  1.00  0.00           N  
HETATM   28  C   UNL     1       2.040   1.576  -0.821  1.00  0.00           C  
HETATM   29  C   UNL     1       2.714   2.607   0.051  1.00  0.00           C  
HETATM   30  C   UNL     1       3.385   2.806   1.039  1.00  0.00           C  
HETATM   31  C   UNL     1       4.551   2.692   1.870  1.00  0.00           C  
HETATM   32  C   UNL     1       5.013   1.503   2.291  1.00  0.00           C  
HETATM   33  C   UNL     1       4.363   0.267   1.954  1.00  0.00           C  
HETATM   34  C   UNL     1       4.188  -0.786   1.402  1.00  0.00           C  
HETATM   35  C   UNL     1       3.841  -1.639   0.232  1.00  0.00           C  
HETATM   36  O   UNL     1       3.334  -2.896   0.683  1.00  0.00           O  
HETATM   37  H   UNL     1       6.468   0.169  -1.457  1.00  0.00           H  
HETATM   38  H   UNL     1       5.628  -0.560  -0.066  1.00  0.00           H  
HETATM   39  H   UNL     1       5.101  -0.939  -1.723  1.00  0.00           H  
HETATM   40  H   UNL     1       4.703   1.601  -0.128  1.00  0.00           H  
HETATM   41  H   UNL     1       4.565   1.423  -3.022  1.00  0.00           H  
HETATM   42  H   UNL     1       1.624  -3.330  -0.162  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.888  -4.403   1.090  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.508  -2.250   0.059  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.132  -0.408  -0.016  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.129   1.160  -0.949  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.169   1.189   0.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.547   2.663  -0.092  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.752   3.095   0.897  1.00  0.00           H  
HETATM   50  H   UNL     1       0.145   1.779  -0.133  1.00  0.00           H  
HETATM   51  H   UNL     1       1.757   2.071  -1.746  1.00  0.00           H  
HETATM   52  H   UNL     1       5.075   3.598   2.159  1.00  0.00           H  
HETATM   53  H   UNL     1       5.913   1.462   2.896  1.00  0.00           H  
HETATM   54  H   UNL     1       4.727  -1.797  -0.384  1.00  0.00           H  
HETATM   55  H   UNL     1       3.965  -3.410   1.205  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3    4   40                                       
CONECT    3    2   41                                                 
CONECT    4    2    5    6   28                                       
CONECT    5    4    6                                                 
CONECT    6    4    5    7   35                                       
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   43                                                 
CONECT   11    9    9   12   25                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15   22                                       
CONECT   15   14   14   16   44                                       
CONECT   16   15   17   17   45                                       
CONECT   17   16   16   18   20                                       
CONECT   18   17   19                                                 
CONECT   19   18   46   47   48                                       
CONECT   20   17   21   22   22                                       
CONECT   21   20   49                                                 
CONECT   22   14   20   20   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   11   23   26   26                                       
CONECT   26    7   25   25   27                                       
CONECT   27   26   28   50                                            
CONECT   28    4   27   29   51                                       
CONECT   29   28   30   30   30                                       
CONECT   30   31   29   29   29                                       
CONECT   31   30   32   32   52                                       
CONECT   32   31   31   33   53                                       
CONECT   33   32   34   34   34                                       
CONECT   34   35   33   33   33                                       
CONECT   35    6   34   36   54                                       
CONECT   36   35   55                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   32                                                      
CONECT   54   35                                                      
CONECT   55   36                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
