COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.083   3.323  -0.393  1.00  0.00           C  
HETATM    2  C   UNL     1       3.463   2.517   0.851  1.00  0.00           C  
HETATM    3  N   UNL     1       3.961   1.200   0.446  1.00  0.00           N  
HETATM    4  C   UNL     1       5.299   0.916   0.176  1.00  0.00           C  
HETATM    5  C   UNL     1       6.424   1.740   0.216  1.00  0.00           C  
HETATM    6  C   UNL     1       7.667   1.230  -0.097  1.00  0.00           C  
HETATM    7  C   UNL     1       7.808  -0.099  -0.452  1.00  0.00           C  
HETATM    8  C   UNL     1       6.696  -0.922  -0.493  1.00  0.00           C  
HETATM    9  C   UNL     1       5.453  -0.417  -0.182  1.00  0.00           C  
HETATM   10  C   UNL     1       4.081  -1.049  -0.136  1.00  0.00           C  
HETATM   11  C   UNL     1       3.688  -1.573  -1.519  1.00  0.00           C  
HETATM   12  C   UNL     1       4.048  -2.181   0.893  1.00  0.00           C  
HETATM   13  C   UNL     1       3.163   0.077   0.289  1.00  0.00           C  
HETATM   14  C   UNL     1       1.858   0.005   0.473  1.00  0.00           C  
HETATM   15  C   UNL     1       1.118  -1.264   0.134  1.00  0.00           C  
HETATM   16  C   UNL     1       0.079  -1.088  -0.954  1.00  0.00           C  
HETATM   17  O   UNL     1       0.048  -1.178  -2.158  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.029  -1.567   1.074  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.179  -2.183   2.102  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.904  -0.750   0.147  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.275  -1.339  -0.065  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.336  -0.554  -0.082  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.360   0.940   0.156  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.850   1.267   1.561  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.518   1.663  -0.898  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.817   1.318   0.021  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.476   2.524   0.127  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.847   2.580  -0.048  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.553   1.425  -0.329  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.898   0.216  -0.435  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.516   0.151  -0.260  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.647  -0.937  -0.325  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.066  -2.312  -0.610  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.406  -3.023   0.701  1.00  0.00           C  
HETATM   35  H   UNL     1       2.306   2.794  -0.945  1.00  0.00           H  
HETATM   36  H   UNL     1       2.712   4.302  -0.092  1.00  0.00           H  
HETATM   37  H   UNL     1       3.960   3.446  -1.028  1.00  0.00           H  
HETATM   38  H   UNL     1       4.240   3.046   1.403  1.00  0.00           H  
HETATM   39  H   UNL     1       2.586   2.394   1.486  1.00  0.00           H  
HETATM   40  H   UNL     1       6.322   2.779   0.492  1.00  0.00           H  
HETATM   41  H   UNL     1       8.535   1.872  -0.064  1.00  0.00           H  
HETATM   42  H   UNL     1       8.783  -0.493  -0.697  1.00  0.00           H  
HETATM   43  H   UNL     1       6.804  -1.960  -0.771  1.00  0.00           H  
HETATM   44  H   UNL     1       4.397  -2.339  -1.833  1.00  0.00           H  
HETATM   45  H   UNL     1       2.686  -2.002  -1.474  1.00  0.00           H  
HETATM   46  H   UNL     1       3.699  -0.752  -2.236  1.00  0.00           H  
HETATM   47  H   UNL     1       4.363  -1.799   1.863  1.00  0.00           H  
HETATM   48  H   UNL     1       3.033  -2.573   0.968  1.00  0.00           H  
HETATM   49  H   UNL     1       4.723  -2.977   0.579  1.00  0.00           H  
HETATM   50  H   UNL     1       1.320   0.855   0.866  1.00  0.00           H  
HETATM   51  H   UNL     1       1.784  -2.111  -0.032  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.933   0.311   0.396  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.389  -2.405  -0.204  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.796   1.000   1.637  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.970   2.333   1.752  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.423   0.700   2.296  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.920   1.455  -1.890  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.546   2.736  -0.712  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.487   1.311  -0.843  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.921   3.424   0.346  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.365   3.525   0.034  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.624   1.470  -0.465  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.456  -0.682  -0.654  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.945  -2.297  -1.254  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.256  -2.842  -1.112  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.717  -4.046   0.489  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.526  -3.038   1.345  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.215  -2.493   1.203  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4   13                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6    8   42                                       
CONECT    8    7    9    9   43                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   12   13                                       
CONECT   11   10   44   45   46                                       
CONECT   12   10   47   48   49                                       
CONECT   13    3   10   14   14                                       
CONECT   14   13   13   15   50                                       
CONECT   15   14   16   18   51                                       
CONECT   16   15   17   17   20                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   16   18   21   52                                       
CONECT   21   20   22   22   53                                       
CONECT   22   21   21   23   32                                       
CONECT   23   22   24   25   26                                       
CONECT   24   23   54   55   56                                       
CONECT   25   23   57   58   59                                       
CONECT   26   23   27   27   31                                       
CONECT   27   26   26   28   60                                       
CONECT   28   27   29   29   61                                       
CONECT   29   28   28   30   62                                       
CONECT   30   29   31   31   63                                       
CONECT   31   26   30   30   32                                       
CONECT   32   22   31   33                                            
CONECT   33   32   34   64   65                                       
CONECT   34   33   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
