COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.766   1.700   0.978  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.904   2.685   1.827  1.00  0.00           C  
HETATM    3  C   UNL     1       2.972   0.218  -1.116  1.00  0.00           C  
HETATM    4  C   UNL     1       4.982   0.904   0.164  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.342  -1.168   0.987  1.00  0.00           O  
HETATM    6  C   UNL     1       2.747   1.063  -2.200  1.00  0.00           C  
HETATM    7  C   UNL     1       1.448   1.419  -2.550  1.00  0.00           C  
HETATM    8  C   UNL     1       0.382   0.937  -1.827  1.00  0.00           C  
HETATM    9  C   UNL     1       0.604   0.089  -0.738  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.537  -0.430   0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.928  -0.600   0.475  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.116   0.356   0.337  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.935   2.641   0.843  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.038   3.460  -0.266  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.111   4.323  -0.391  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.080   4.367   0.594  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.977   3.547   1.702  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.315  -1.960  -0.046  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.652  -3.933  -0.038  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.437  -4.852   0.095  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.020  -3.785  -1.516  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.834  -4.536   0.723  1.00  0.00           C  
HETATM   23  C   UNL     1       1.910  -0.268  -0.389  1.00  0.00           C  
HETATM   24  C   UNL     1       4.380  -0.170  -0.743  1.00  0.00           C  
HETATM   25  C   UNL     1       6.390   0.515   0.537  1.00  0.00           C  
HETATM   26  C   UNL     1       7.449   0.918  -0.255  1.00  0.00           C  
HETATM   27  C   UNL     1       8.740   0.564   0.085  1.00  0.00           C  
HETATM   28  C   UNL     1       8.974  -0.198   1.221  1.00  0.00           C  
HETATM   29  C   UNL     1       7.909  -0.601   2.013  1.00  0.00           C  
HETATM   30  C   UNL     1       6.620  -0.239   1.673  1.00  0.00           C  
HETATM   31  N   UNL     1       3.823   1.553  -2.932  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.795  -0.085  -0.298  1.00  0.00           N  
HETATM   33  O   UNL     1      -4.336  -2.628   0.515  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.707  -2.449  -0.968  1.00  0.00           O  
HETATM   35  O   UNL     1      10.243  -0.548   1.556  1.00  0.00           O  
HETATM   36  H   UNL     1      -3.540   1.551   2.034  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.896   2.126   0.477  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.826   2.042   2.691  1.00  0.00           H  
HETATM   39  H   UNL     1       4.996   1.858  -0.361  1.00  0.00           H  
HETATM   40  H   UNL     1       4.379   0.995   1.068  1.00  0.00           H  
HETATM   41  H   UNL     1       1.277   2.075  -3.391  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.626   1.215  -2.099  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.646  -0.679   1.525  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.985  -0.071   0.838  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.342   0.505  -0.719  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.281   3.425  -1.035  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.191   4.963  -1.257  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.918   5.041   0.496  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.737   3.579   2.470  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.674  -5.831  -0.320  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.595  -4.422  -0.447  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.175  -4.957   1.148  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.258  -4.764  -1.931  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.886  -3.130  -1.611  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.178  -3.355  -2.059  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.572  -4.642   1.776  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.700  -3.881   0.628  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.072  -5.516   0.308  1.00  0.00           H  
HETATM   59  H   UNL     1       2.085  -0.923   0.452  1.00  0.00           H  
HETATM   60  H   UNL     1       4.366  -1.125  -0.218  1.00  0.00           H  
HETATM   61  H   UNL     1       4.983  -0.262  -1.647  1.00  0.00           H  
HETATM   62  H   UNL     1       7.267   1.511  -1.139  1.00  0.00           H  
HETATM   63  H   UNL     1       9.568   0.878  -0.534  1.00  0.00           H  
HETATM   64  H   UNL     1       8.088  -1.193   2.898  1.00  0.00           H  
HETATM   65  H   UNL     1       5.791  -0.552   2.290  1.00  0.00           H  
HETATM   66  H   UNL     1       3.668   2.142  -3.687  1.00  0.00           H  
HETATM   67  H   UNL     1       4.729   1.305  -2.689  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.951   0.504  -1.053  1.00  0.00           H  
HETATM   69  H   UNL     1      10.688   0.089   2.132  1.00  0.00           H  
CONECT    1   12   13   36   37                                       
CONECT    2   13   13   17   38                                       
CONECT    3    6   24   23   23                                       
CONECT    4   24   25   39   40                                       
CONECT    5   10   10                                                 
CONECT    6   31    7    7    3                                       
CONECT    7    6    6    8   41                                       
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   23   10                                       
CONECT   10    9    5    5   32                                       
CONECT   11   32   18   12   43                                       
CONECT   12   11    1   44   45                                       
CONECT   13    1    2    2   14                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   17   17   15   48                                       
CONECT   17    2   16   16   49                                       
CONECT   18   11   34   34   33                                       
CONECT   19   21   33   20   22                                       
CONECT   20   19   50   51   52                                       
CONECT   21   19   53   54   55                                       
CONECT   22   19   56   57   58                                       
CONECT   23    3    3    9   59                                       
CONECT   24    3    4   60   61                                       
CONECT   25   26   26   30    4                                       
CONECT   26   27   25   25   62                                       
CONECT   27   28   28   26   63                                       
CONECT   28   35   27   27   29                                       
CONECT   29   28   30   30   64                                       
CONECT   30   29   29   25   65                                       
CONECT   31    6   66   67                                            
CONECT   32   10   11   68                                            
CONECT   33   18   19                                                 
CONECT   34   18   18                                                 
CONECT   35   28   69                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
