COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.349  -5.312   0.806  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.313  -4.517   0.475  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.108  -3.622   1.540  1.00  0.00           C  
HETATM    4  O   UNL     1       6.009   0.774  -0.777  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.505  -4.480  -0.651  1.00  0.00           C  
HETATM    6  O   UNL     1       5.936   3.139   0.602  1.00  0.00           O  
HETATM    7  C   UNL     1       0.470  -3.499  -0.701  1.00  0.00           C  
HETATM    8  C   UNL     1       0.643  -2.561   0.319  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.517  -5.229   2.229  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.017  -3.911   2.494  1.00  0.00           O  
HETATM   11  C   UNL     1       6.030   1.196  -2.143  1.00  0.00           C  
HETATM   12  C   UNL     1       4.911   1.102  -0.048  1.00  0.00           C  
HETATM   13  C   UNL     1       3.805   0.236   0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       2.653   0.614   0.749  1.00  0.00           C  
HETATM   15  C   UNL     1       2.664   1.814   1.471  1.00  0.00           C  
HETATM   16  C   UNL     1       3.753   2.635   1.411  1.00  0.00           C  
HETATM   17  C   UNL     1       4.871   2.294   0.651  1.00  0.00           C  
HETATM   18  C   UNL     1       5.837   4.352   1.352  1.00  0.00           C  
HETATM   19  C   UNL     1       1.543  -0.254   0.732  1.00  0.00           C  
HETATM   20  C   UNL     1       1.660  -1.492   0.141  1.00  0.00           C  
HETATM   21  N   UNL     1       2.753  -1.791  -0.586  1.00  0.00           N1+
HETATM   22  C   UNL     1       3.794  -0.996  -0.659  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.123  -2.650   1.487  1.00  0.00           C  
HETATM   24  C   UNL     1       1.418  -3.459  -1.878  1.00  0.00           C  
HETATM   25  C   UNL     1       2.796  -3.045  -1.354  1.00  0.00           C  
HETATM   26  C   UNL     1       0.230   0.245   1.286  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.515   1.030   0.204  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.845   1.536   0.765  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.590   2.320  -0.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.960   1.393  -1.446  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.619   1.716  -2.746  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.958   0.865  -3.781  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.638  -0.309  -3.516  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.977  -0.633  -2.216  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.634   0.216  -1.180  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.841   2.922   0.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.097   4.271   0.114  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.245   4.823   0.653  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.136   4.025   1.346  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.879   2.676   1.502  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.735   2.123   0.958  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.637  -5.186  -1.459  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.569  -5.311   2.504  1.00  0.00           H  
HETATM   44  H   UNL     1       5.963   2.283  -2.188  1.00  0.00           H  
HETATM   45  H   UNL     1       6.960   0.870  -2.609  1.00  0.00           H  
HETATM   46  H   UNL     1       5.185   0.756  -2.672  1.00  0.00           H  
HETATM   47  H   UNL     1       1.828   2.108   2.088  1.00  0.00           H  
HETATM   48  H   UNL     1       3.744   3.566   1.959  1.00  0.00           H  
HETATM   49  H   UNL     1       5.698   4.116   2.407  1.00  0.00           H  
HETATM   50  H   UNL     1       6.751   4.932   1.226  1.00  0.00           H  
HETATM   51  H   UNL     1       4.986   4.932   0.994  1.00  0.00           H  
HETATM   52  H   UNL     1       4.654  -1.296  -1.242  1.00  0.00           H  
HETATM   53  H   UNL     1       0.063  -2.032   2.353  1.00  0.00           H  
HETATM   54  H   UNL     1       1.480  -4.444  -2.332  1.00  0.00           H  
HETATM   55  H   UNL     1       1.070  -2.728  -2.603  1.00  0.00           H  
HETATM   56  H   UNL     1       3.467  -2.918  -2.200  1.00  0.00           H  
HETATM   57  H   UNL     1       3.176  -3.838  -0.711  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.377  -0.603   1.602  1.00  0.00           H  
HETATM   59  H   UNL     1       0.419   0.895   2.141  1.00  0.00           H  
HETATM   60  H   UNL     1       0.092   1.878  -0.112  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.704   0.380  -0.651  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.452   0.687   1.081  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.656   2.185   1.620  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.947   3.116  -0.696  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.088   2.634  -2.953  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.693   1.118  -4.797  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.903  -0.974  -4.325  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.509  -1.550  -2.009  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.897  -0.039  -0.164  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.401   4.894  -0.427  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.445   5.877   0.532  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.032   4.456   1.767  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.577   2.052   2.039  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.534   1.069   1.079  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.921  -5.986   2.740  1.00  0.00           H  
CONECT    1    2    9                                                 
CONECT    2    5    5    1    3                                       
CONECT    3    2   23   23   10                                       
CONECT    4   11   12                                                 
CONECT    5    7    2    2   42                                       
CONECT    6   17   18                                                 
CONECT    7   24    5    8    8                                       
CONECT    8    7    7   20   23                                       
CONECT    9    1   10   43   75                                       
CONECT   10    3    9                                                 
CONECT   11    4   44   45   46                                       
CONECT   12   17   13   13    4                                       
CONECT   13   14   12   12   22                                       
CONECT   14   15   15   19   13                                       
CONECT   15   16   14   14   47                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16    6   12                                       
CONECT   18    6   49   50   51                                       
CONECT   19   26   14   20   20                                       
CONECT   20   19   19   21    8                                       
CONECT   21   20   22   22   25                                       
CONECT   22   13   21   21   52                                       
CONECT   23    8    3    3   53                                       
CONECT   24    7   25   54   55                                       
CONECT   25   24   21   56   57                                       
CONECT   26   19   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   29   27   62   63                                       
CONECT   29   36   30   28   64                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   65                                       
CONECT   32   31   33   33   66                                       
CONECT   33   32   32   34   67                                       
CONECT   34   35   35   33   68                                       
CONECT   35   30   34   34   69                                       
CONECT   36   41   29   37   37                                       
CONECT   37   36   36   38   70                                       
CONECT   38   39   39   37   71                                       
CONECT   39   40   38   38   72                                       
CONECT   40   41   41   39   73                                       
CONECT   41   40   40   36   74                                       
CONECT   42    5                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
CONECT   75    9                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
