COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.200   0.752   0.624  1.00  0.00           C  
HETATM    2  C   UNL     1       7.695   2.200  -0.744  1.00  0.00           C  
HETATM    3  C   UNL     1       5.962  -1.062  -0.010  1.00  0.00           C  
HETATM    4  C   UNL     1       1.139  -2.322  -0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       4.529  -0.526  -0.024  1.00  0.00           C  
HETATM    6  C   UNL     1       2.117  -1.157  -0.196  1.00  0.00           C  
HETATM    7  O   UNL     1       7.953  -0.736   2.702  1.00  0.00           O  
HETATM    8  C   UNL     1       8.312  -1.414   1.496  1.00  0.00           C  
HETATM    9  C   UNL     1       8.274  -0.429   0.326  1.00  0.00           C  
HETATM   10  O   UNL     1      10.539   0.282   0.785  1.00  0.00           O  
HETATM   11  C   UNL     1       9.144   1.745  -0.540  1.00  0.00           C  
HETATM   12  O   UNL     1       9.962   2.878  -0.242  1.00  0.00           O  
HETATM   13  O   UNL     1       7.626   3.083  -1.865  1.00  0.00           O  
HETATM   14  C   UNL     1       6.813   0.976  -1.002  1.00  0.00           C  
HETATM   15  N   UNL     1       6.901   0.058   0.140  1.00  0.00           N  
HETATM   16  C   UNL     1       3.550  -1.692  -0.182  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.200  -1.822  -0.366  1.00  0.00           O  
HETATM   18  H   UNL     1       8.875   1.247   1.540  1.00  0.00           H  
HETATM   19  H   UNL     1       7.347   2.717   0.150  1.00  0.00           H  
HETATM   20  H   UNL     1       6.083  -1.753   0.824  1.00  0.00           H  
HETATM   21  H   UNL     1       1.341  -2.843  -1.289  1.00  0.00           H  
HETATM   22  H   UNL     1       4.326  -0.005   0.911  1.00  0.00           H  
HETATM   23  H   UNL     1       1.996  -0.465  -1.030  1.00  0.00           H  
HETATM   24  H   UNL     1       6.735   3.409  -2.054  1.00  0.00           H  
HETATM   25  H   UNL     1       5.779   1.295  -1.133  1.00  0.00           H  
HETATM   26  H   UNL     1       7.154   0.467  -1.904  1.00  0.00           H  
HETATM   27  H   UNL     1       3.753  -2.213  -1.117  1.00  0.00           H  
HETATM   28  H   UNL     1       3.672  -2.383   0.652  1.00  0.00           H  
HETATM   29  C   UNL     1      -2.563  -2.199  -0.511  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.197  -2.835  -0.509  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.133  -1.793  -1.704  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.384  -1.209  -1.711  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.496  -1.445   0.685  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.245  -2.027   0.681  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.246   0.591  -1.718  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.994   0.008  -1.715  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.105  -0.223   0.686  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.353   0.371   0.676  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.926   0.773  -0.524  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.417  -0.402  -0.515  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.073  -1.029  -0.513  1.00  0.00           C  
HETATM   42  O   UNL     1     -10.163   1.348  -0.520  1.00  0.00           O  
HETATM   43  O   UNL     1      -9.035   0.555   1.844  1.00  0.00           O  
HETATM   44  C   UNL     1     -10.249   2.644   0.077  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.420   2.533   1.584  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.207   1.912   2.260  1.00  0.00           C  
HETATM   47  H   UNL     1       6.165  -1.583  -0.946  1.00  0.00           H  
HETATM   48  H   UNL     1       1.260  -3.013   0.481  1.00  0.00           H  
HETATM   49  H   UNL     1       4.407   0.165  -0.859  1.00  0.00           H  
HETATM   50  H   UNL     1       1.914  -0.636   0.740  1.00  0.00           H  
HETATM   51  H   UNL     1       7.955  -1.301   3.487  1.00  0.00           H  
HETATM   52  H   UNL     1       9.318  -1.822   1.595  1.00  0.00           H  
HETATM   53  H   UNL     1       7.607  -2.225   1.312  1.00  0.00           H  
HETATM   54  H   UNL     1       8.607  -0.931  -0.582  1.00  0.00           H  
HETATM   55  H   UNL     1      11.182   0.979   0.974  1.00  0.00           H  
HETATM   56  H   UNL     1       9.505   1.262  -1.448  1.00  0.00           H  
HETATM   57  H   UNL     1       9.973   3.549  -0.938  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.043  -3.367  -1.448  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.125  -3.537   0.322  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.598  -1.933  -2.632  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.828  -0.892  -2.643  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.028  -1.312   1.616  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.797  -2.350   1.609  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.693   0.908  -2.648  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.462  -0.131  -2.644  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.660  -0.535   1.619  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.337   3.200  -0.141  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.102   3.176  -0.343  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.581   3.530   1.995  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.295   1.920   1.796  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.345   1.941   3.341  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.317   2.483   1.996  1.00  0.00           H  
CONECT    1   10    9   11   18                                       
CONECT    2   11   14   13   19                                       
CONECT    3   15    5   20   47                                       
CONECT    4    6   17   21   48                                       
CONECT    5    3   16   22   49                                       
CONECT    6   16    4   23   50                                       
CONECT    7    8   51                                                 
CONECT    8    7    9   52   53                                       
CONECT    9    8    1   15   54                                       
CONECT   10    1   55                                                 
CONECT   11    1   12    2   56                                       
CONECT   12   11   57                                                 
CONECT   13    2   24                                                 
CONECT   14   15    2   25   26                                       
CONECT   15    9    3   14                                            
CONECT   16    6    5   27   28                                       
CONECT   17    4   30                                                 
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    3                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    6                                                      
CONECT   24   13                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
CONECT   28   16                                                      
CONECT   29   30   31   34   34                                       
CONECT   30   17   29   58   59                                       
CONECT   31   29   32   32   60                                       
CONECT   32   31   31   41   61                                       
CONECT   33   41   41   34   62                                       
CONECT   34   33   29   29   63                                       
CONECT   35   36   39   39   64                                       
CONECT   36   35   40   40   65                                       
CONECT   37   40   38   38   66                                       
CONECT   38   37   37   39   43                                       
CONECT   39   38   35   35   42                                       
CONECT   40   36   36   37   41                                       
CONECT   41   32   33   33   40                                       
CONECT   42   39   44                                                 
CONECT   43   38   46                                                 
CONECT   44   45   42   67   68                                       
CONECT   45   44   46   69   70                                       
CONECT   46   45   43   71   72                                       
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   44                                                      
CONECT   68   44                                                      
CONECT   69   45                                                      
CONECT   70   45                                                      
CONECT   71   46                                                      
CONECT   72   46                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
