COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.045  -0.976   5.021  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.382  -1.218   5.149  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.227  -0.936   4.306  1.00  0.00           O  
HETATM    4  N   UNL     1      -3.623  -1.832   6.370  1.00  0.00           N  
HETATM    5  C   UNL     1      -4.879  -2.226   6.830  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.906  -2.834   8.185  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.933  -2.081   6.217  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.716  -2.922   8.784  1.00  0.00           N  
HETATM    9  N   UNL     1      -3.670  -3.469  10.028  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.091  -3.248   8.716  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.044  -3.805   9.982  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.814  -3.897  10.602  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.767  -4.467  11.895  1.00  0.00           N  
HETATM   14  O   UNL     1       3.155  -1.783   3.503  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.781  -4.887   0.616  1.00  0.00           O  
HETATM   16  C   UNL     1       1.521  -2.332   0.443  1.00  0.00           C  
HETATM   17  C   UNL     1       2.765  -1.791   1.135  1.00  0.00           C  
HETATM   18  C   UNL     1       2.348  -1.843   2.583  1.00  0.00           C  
HETATM   19  C   UNL     1       0.835  -2.063   2.741  1.00  0.00           C  
HETATM   20  C   UNL     1       0.122  -1.201   3.828  1.00  0.00           C  
HETATM   21  C   UNL     1       0.324   0.321   3.455  1.00  0.00           C  
HETATM   22  C   UNL     1       0.130   0.606   1.986  1.00  0.00           C  
HETATM   23  C   UNL     1       0.129  -0.330   1.028  1.00  0.00           C  
HETATM   24  C   UNL     1       0.318  -1.823   1.279  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.024  -2.549   0.865  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.281  -3.927   1.561  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.238  -3.891   2.811  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.658  -3.132   4.042  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.401  -1.610   3.904  1.00  0.00           C  
HETATM   30  C   UNL     1       0.776  -1.444   5.219  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.506   1.317   4.273  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.160  -2.649  -0.676  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.501  -5.349   3.272  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.594  -3.305   2.474  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.108  -3.270   1.240  1.00  0.00           C  
HETATM   36  O   UNL     1       3.905  -2.569   0.875  1.00  0.00           O  
HETATM   37  H   UNL     1      -2.809  -1.986   6.957  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.036  -3.157   8.191  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.953  -4.154  10.460  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.592  -4.461  12.457  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.889  -4.776  12.256  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.012  -5.191   0.117  1.00  0.00           H  
HETATM   43  H   UNL     1       1.500  -1.995  -0.600  1.00  0.00           H  
HETATM   44  H   UNL     1       1.542  -3.429   0.419  1.00  0.00           H  
HETATM   45  H   UNL     1       2.963  -0.750   0.862  1.00  0.00           H  
HETATM   46  H   UNL     1       0.785  -3.123   3.004  1.00  0.00           H  
HETATM   47  H   UNL     1       1.374   0.577   3.660  1.00  0.00           H  
HETATM   48  H   UNL     1       0.027   1.646   1.683  1.00  0.00           H  
HETATM   49  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.852  -1.887   1.139  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.326  -4.363   1.867  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.752  -3.650   4.375  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.362  -3.283   4.876  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.933  -1.205   3.044  1.00  0.00           H  
HETATM   55  H   UNL     1       1.629  -0.774   5.365  1.00  0.00           H  
HETATM   56  H   UNL     1       0.054  -1.262   6.020  1.00  0.00           H  
HETATM   57  H   UNL     1       1.131  -2.475   5.301  1.00  0.00           H  
HETATM   58  H   UNL     1       0.085   1.724   5.099  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.838   2.148   3.644  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.391   0.827   4.692  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.190  -2.888  -0.956  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.885  -1.701  -1.148  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.506  -3.433  -1.069  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.328  -5.449   4.348  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.535  -5.639   3.061  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.835  -6.043   2.751  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.174  -2.892   3.295  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.086  -2.835   1.064  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.568  -3.669   0.388  1.00  0.00           H  
HETATM   70  H   UNL     1       3.675  -3.501   1.048  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   37                                            
CONECT    5    4    7    7    6                                       
CONECT    6    5   10   10    8                                       
CONECT    7    5    5                                                 
CONECT    8    6    9    9                                            
CONECT    9    8    8   12                                            
CONECT   10    6    6   11   38                                       
CONECT   11   10   12   12   39                                       
CONECT   12    9   11   11   13                                       
CONECT   13   12   40   41                                            
CONECT   14   18   18                                                 
CONECT   15   26   42                                                 
CONECT   16   24   17   43   44                                       
CONECT   17   16   18   36   45                                       
CONECT   18   14   14   17   19                                       
CONECT   19   18   24   20   46                                       
CONECT   20   19   21   29   30                                       
CONECT   21   20   22   31   47                                       
CONECT   22   21   23   23   48                                       
CONECT   23   22   22   24   49                                       
CONECT   24   16   19   23   25                                       
CONECT   25   24   32   26   50                                       
CONECT   26   15   25   27   51                                       
CONECT   27   26   34   28   33                                       
CONECT   28   27   29   52   53                                       
CONECT   29    1   20   28   54                                       
CONECT   30   20   55   56   57                                       
CONECT   31   21   58   59   60                                       
CONECT   32   25   61   62   63                                       
CONECT   33   27   64   65   66                                       
CONECT   34   27   35   35   67                                       
CONECT   35   34   34   68   69                                       
CONECT   36   17   70                                                 
CONECT   37    4                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
