COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.469   2.956  -0.433  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.438   5.038  -0.782  1.00  0.00           C  
HETATM    3  C   UNL     1       2.284   4.306   0.160  1.00  0.00           C  
HETATM    4  C   UNL     1       3.582   2.398   0.958  1.00  0.00           C  
HETATM    5  C   UNL     1       6.976   0.738   0.339  1.00  0.00           C  
HETATM    6  C   UNL     1       7.297  -0.757   0.387  1.00  0.00           C  
HETATM    7  C   UNL     1       9.141  -2.443   0.372  1.00  0.00           C  
HETATM    8  C   UNL     1       7.287   1.282  -1.056  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.051  -0.935   0.934  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.841   0.000   1.851  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.920   0.913   2.665  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.792   0.881   1.021  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.627   0.596  -0.448  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.766   1.195  -1.234  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.853   2.306  -0.788  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.398   1.890  -1.018  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.018   2.607  -0.768  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.089   3.674  -0.183  1.00  0.00           C  
HETATM   19  C   UNL     1       1.362   3.325  -0.518  1.00  0.00           C  
HETATM   20  C   UNL     1       3.265   3.871   0.911  1.00  0.00           C  
HETATM   21  C   UNL     1       5.515   0.948   0.646  1.00  0.00           C  
HETATM   22  C   UNL     1       8.802  -0.961   0.200  1.00  0.00           C  
HETATM   23  C   UNL     1      10.645  -2.648   0.184  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.644   3.006   1.087  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.861  -0.429  -1.139  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.508  -1.753  -0.615  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.676  -2.568  -1.413  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.307  -3.825  -0.970  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.748  -4.284   0.265  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.562  -6.294  -0.171  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.556  -3.468   1.049  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.921  -2.223   0.630  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.763  -1.414   1.588  1.00  0.00           C  
HETATM   34  N   UNL     1       5.002   2.194   0.660  1.00  0.00           N  
HETATM   35  O   UNL     1      -5.881  -2.088   0.657  1.00  0.00           O  
HETATM   36  O   UNL     1       6.591  -1.430  -0.657  1.00  0.00           O  
HETATM   37  O   UNL     1       4.802  -0.004   0.880  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.692   1.334  -0.208  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.135   0.622  -0.359  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.226  -2.130  -2.626  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.393  -5.519   0.696  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.937  -0.285  -2.354  1.00  0.00           O  
HETATM   43  H   UNL     1      -2.717   3.928  -0.859  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.472   5.286  -0.543  1.00  0.00           H  
HETATM   45  H   UNL     1       0.224   5.797  -0.366  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.313   5.002  -1.864  1.00  0.00           H  
HETATM   47  H   UNL     1       2.135   5.367   0.027  1.00  0.00           H  
HETATM   48  H   UNL     1       3.360   2.011   1.953  1.00  0.00           H  
HETATM   49  H   UNL     1       2.977   1.872   0.220  1.00  0.00           H  
HETATM   50  H   UNL     1       7.581   1.264   1.077  1.00  0.00           H  
HETATM   51  H   UNL     1       6.993  -1.163   1.352  1.00  0.00           H  
HETATM   52  H   UNL     1       8.852  -2.768   1.372  1.00  0.00           H  
HETATM   53  H   UNL     1       8.599  -3.028  -0.371  1.00  0.00           H  
HETATM   54  H   UNL     1       6.681   0.756  -1.795  1.00  0.00           H  
HETATM   55  H   UNL     1       7.058   2.347  -1.091  1.00  0.00           H  
HETATM   56  H   UNL     1       8.343   1.130  -1.278  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.837  -0.445  -0.009  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.442  -0.596   2.545  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.323   1.523   1.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.521   1.560   3.303  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.260   0.304   3.283  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.817   0.654   1.317  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.587   1.924   1.240  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.278  -0.155  -0.896  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.709   0.886  -2.278  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.066   3.204  -1.372  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.012   2.547   0.257  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.224   1.805  -2.090  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.893   2.571  -1.850  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.213   3.710   0.899  1.00  0.00           H  
HETATM   71  H   UNL     1       1.508   3.376  -1.597  1.00  0.00           H  
HETATM   72  H   UNL     1       1.584   2.317  -0.169  1.00  0.00           H  
HETATM   73  H   UNL     1       3.848   4.568   1.496  1.00  0.00           H  
HETATM   74  H   UNL     1       9.091  -0.636  -0.800  1.00  0.00           H  
HETATM   75  H   UNL     1       9.343  -0.376   0.943  1.00  0.00           H  
HETATM   76  H   UNL     1      10.934  -2.323  -0.815  1.00  0.00           H  
HETATM   77  H   UNL     1      11.187  -2.062   0.927  1.00  0.00           H  
HETATM   78  H   UNL     1      10.886  -3.703   0.307  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.678   3.254   1.325  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.395   2.035   1.513  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.982   3.766   1.503  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.663  -4.447  -1.571  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.074  -6.451  -1.120  1.00  0.00           H  
HETATM   84  H   UNL     1       0.374  -5.764  -0.347  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.353  -7.258   0.293  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.903  -3.826   2.010  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.149  -0.602   1.951  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.026  -2.071   2.432  1.00  0.00           H  
HETATM   89  H   UNL     1       5.572   2.956   0.473  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.464  -2.743   0.080  1.00  0.00           H  
HETATM   91  H   UNL     1       6.812  -1.119  -1.545  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.780   1.292   0.754  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.383  -1.658  -2.585  1.00  0.00           H  
CONECT    1   17   16   24   43                                       
CONECT    2   18   44   45   46                                       
CONECT    3   20   20   19   47                                       
CONECT    4   34   20   48   49                                       
CONECT    5   21    6    8   50                                       
CONECT    6   22    5   36   51                                       
CONECT    7   23   22   52   53                                       
CONECT    8    5   54   55   56                                       
CONECT    9   33   10   35   57                                       
CONECT   10   12    9   11   58                                       
CONECT   11   10   59   60   61                                       
CONECT   12   13   10   62   63                                       
CONECT   13   14   14   12   64                                       
CONECT   14   15   13   13   65                                       
CONECT   15   16   14   66   67                                       
CONECT   16    1   15   39   68                                       
CONECT   17   18   38    1   69                                       
CONECT   18   19    2   17   70                                       
CONECT   19    3   18   71   72                                       
CONECT   20    4    3    3   73                                       
CONECT   21   37   37   34    5                                       
CONECT   22    7    6   74   75                                       
CONECT   23    7   76   77   78                                       
CONECT   24    1   79   80   81                                       
CONECT   25   42   42   39   26                                       
CONECT   26   25   27   27   32                                       
CONECT   27   40   26   26   28                                       
CONECT   28   27   29   29   82                                       
CONECT   29   28   28   31   41                                       
CONECT   30   41   83   84   85                                       
CONECT   31   32   32   29   86                                       
CONECT   32   26   33   31   31                                       
CONECT   33   32    9   87   88                                       
CONECT   34   21    4   89                                            
CONECT   35    9   90                                                 
CONECT   36    6   91                                                 
CONECT   37   21   21                                                 
CONECT   38   17   92                                                 
CONECT   39   16   25                                                 
CONECT   40   27   93                                                 
CONECT   41   29   30                                                 
CONECT   42   25   25                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   12                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   28                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   38                                                      
CONECT   93   40                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
