COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.929   0.900   2.211  1.00  0.00           C  
HETATM    2  C   UNL     1       2.117   1.067   0.705  1.00  0.00           C  
HETATM    3  C   UNL     1       3.006   2.273   0.420  1.00  0.00           C  
HETATM    4  C   UNL     1       4.467   1.959   0.754  1.00  0.00           C  
HETATM    5  C   UNL     1       4.926   0.795  -0.123  1.00  0.00           C  
HETATM    6  C   UNL     1       4.118  -0.457   0.233  1.00  0.00           C  
HETATM    7  C   UNL     1       2.635  -0.195   0.018  1.00  0.00           C  
HETATM    8  C   UNL     1       1.780  -1.382   0.480  1.00  0.00           C  
HETATM    9  C   UNL     1       0.322  -1.013   0.320  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.068   0.303   0.160  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.445   0.577   0.028  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.339  -0.448   0.061  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.952  -1.724   0.209  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.651  -2.016   0.338  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.310  -3.180   0.474  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.778  -0.147  -0.067  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.715  -1.183  -0.035  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.062  -0.899  -0.155  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.486   0.419  -0.307  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.555   1.453  -0.338  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.206   1.174  -0.214  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.972   2.739  -0.482  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.964   3.751  -0.496  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.812   0.696  -0.424  1.00  0.00           O  
HETATM   25  C   UNL     1      -8.532   0.945   0.784  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.975  -1.906  -0.125  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.470  -3.234   0.033  1.00  0.00           C  
HETATM   28  O   UNL     1       0.815   1.327   0.131  1.00  0.00           O  
HETATM   29  O   UNL     1       2.400  -0.042  -1.403  1.00  0.00           O  
HETATM   30  C   UNL     1       4.571  -1.550  -0.727  1.00  0.00           C  
HETATM   31  O   UNL     1       3.786  -2.241  -1.333  1.00  0.00           O  
HETATM   32  C   UNL     1       6.019  -1.730  -0.877  1.00  0.00           C  
HETATM   33  C   UNL     1       6.857  -0.763  -0.537  1.00  0.00           C  
HETATM   34  C   UNL     1       6.429   0.591  -0.052  1.00  0.00           C  
HETATM   35  C   UNL     1       7.084   1.623  -0.999  1.00  0.00           C  
HETATM   36  C   UNL     1       6.992   0.842   1.344  1.00  0.00           C  
HETATM   37  C   UNL     1       4.410  -0.943   1.654  1.00  0.00           C  
HETATM   38  O   UNL     1       4.623   1.147  -1.494  1.00  0.00           O  
HETATM   39  H   UNL     1       1.353   1.740   2.600  1.00  0.00           H  
HETATM   40  H   UNL     1       1.395  -0.029   2.410  1.00  0.00           H  
HETATM   41  H   UNL     1       2.903   0.871   2.698  1.00  0.00           H  
HETATM   42  H   UNL     1       2.924   2.557  -0.628  1.00  0.00           H  
HETATM   43  H   UNL     1       2.679   3.115   1.038  1.00  0.00           H  
HETATM   44  H   UNL     1       5.069   2.846   0.536  1.00  0.00           H  
HETATM   45  H   UNL     1       4.553   1.723   1.810  1.00  0.00           H  
HETATM   46  H   UNL     1       1.986  -2.244  -0.159  1.00  0.00           H  
HETATM   47  H   UNL     1       1.966  -1.648   1.511  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.787   1.593  -0.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.386  -2.205   0.082  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.484   1.977  -0.239  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.431   4.728  -0.616  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.411   3.726   0.443  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.280   3.571  -1.325  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.098   1.804   1.295  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.576   1.152   0.549  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.472   0.070   1.430  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.924  -3.306   0.973  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.301  -3.940   0.041  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.801  -3.469  -0.795  1.00  0.00           H  
HETATM   60  H   UNL     1       1.476   0.129  -1.633  1.00  0.00           H  
HETATM   61  H   UNL     1       6.404  -2.662  -1.266  1.00  0.00           H  
HETATM   62  H   UNL     1       7.919  -0.958  -0.616  1.00  0.00           H  
HETATM   63  H   UNL     1       6.820   2.630  -0.677  1.00  0.00           H  
HETATM   64  H   UNL     1       8.167   1.504  -0.973  1.00  0.00           H  
HETATM   65  H   UNL     1       6.725   1.461  -2.016  1.00  0.00           H  
HETATM   66  H   UNL     1       6.528   0.156   2.052  1.00  0.00           H  
HETATM   67  H   UNL     1       8.070   0.681   1.335  1.00  0.00           H  
HETATM   68  H   UNL     1       6.780   1.869   1.641  1.00  0.00           H  
HETATM   69  H   UNL     1       4.263  -0.122   2.356  1.00  0.00           H  
HETATM   70  H   UNL     1       3.734  -1.761   1.905  1.00  0.00           H  
HETATM   71  H   UNL     1       5.441  -1.292   1.714  1.00  0.00           H  
HETATM   72  H   UNL     1       5.062   1.953  -1.799  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    7    1   28    3                                       
CONECT    3    2    4   42   43                                       
CONECT    4    5    3   44   45                                       
CONECT    5    6   38   34    4                                       
CONECT    6   37   30    7    5                                       
CONECT    7    8   29    6    2                                       
CONECT    8    9    7   46   47                                       
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11   28                                       
CONECT   11   12   12   10   48                                       
CONECT   12   13   16   11   11                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   13    9                                       
CONECT   15   14   14                                                 
CONECT   16   21   12   17   17                                       
CONECT   17   16   16   18   49                                       
CONECT   18   19   19   17   26                                       
CONECT   19   20   24   18   18                                       
CONECT   20   22   21   21   19                                       
CONECT   21   20   20   16   50                                       
CONECT   22   23   20                                                 
CONECT   23   22   51   52   53                                       
CONECT   24   25   19                                                 
CONECT   25   24   54   55   56                                       
CONECT   26   18   27                                                 
CONECT   27   26   57   58   59                                       
CONECT   28   10    2                                                 
CONECT   29    7   60                                                 
CONECT   30   31   31    6   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   33   61                                       
CONECT   33   32   32   34   62                                       
CONECT   34   33    5   36   35                                       
CONECT   35   34   63   64   65                                       
CONECT   36   34   66   67   68                                       
CONECT   37    6   69   70   71                                       
CONECT   38    5   72                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   11                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
