COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.526  -2.345  -0.869  1.00  0.00           C  
HETATM    2  C   UNL     1       3.000   0.516   0.418  1.00  0.00           C  
HETATM    3  C   UNL     1       3.029   2.007   0.197  1.00  0.00           C  
HETATM    4  C   UNL     1       1.037  -2.331  -0.656  1.00  0.00           C  
HETATM    5  C   UNL     1       2.338  -1.701  -0.154  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.560  -2.596   1.253  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.912  -2.823   1.029  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.596  -2.067   0.086  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.929  -1.083  -0.633  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.576  -0.856  -0.408  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.893  -1.609   0.539  1.00  0.00           C  
HETATM   12  C   UNL     1       3.864   2.669   1.295  1.00  0.00           C  
HETATM   13  C   UNL     1       3.893   4.182   1.070  1.00  0.00           C  
HETATM   14  C   UNL     1       4.728   4.845   2.168  1.00  0.00           C  
HETATM   15  C   UNL     1       4.758   6.358   1.943  1.00  0.00           C  
HETATM   16  C   UNL     1       5.922  -2.382  -0.920  1.00  0.00           C  
HETATM   17  C   UNL     1       7.160  -1.775  -0.255  1.00  0.00           C  
HETATM   18  C   UNL     1       8.420  -2.355  -0.899  1.00  0.00           C  
HETATM   19  C   UNL     1       9.658  -1.747  -0.235  1.00  0.00           C  
HETATM   20  C   UNL     1      10.919  -2.327  -0.879  1.00  0.00           C  
HETATM   21  C   UNL     1      12.156  -1.720  -0.215  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.904   1.342  -0.585  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.198   2.460  -1.307  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.327   3.752  -0.497  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.611   4.887  -1.231  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.739   6.179  -0.421  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.023   7.314  -1.155  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.152   8.606  -0.345  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.570  -1.383   0.764  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.890  -3.338   2.178  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.567  -3.787   1.733  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.922  -2.290  -0.135  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.599  -0.342  -1.558  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.922   0.108  -1.112  1.00  0.00           O  
HETATM   35  O   UNL     1      -0.064  -1.813   0.094  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.761  -3.818   0.190  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.931  -2.036  -1.589  1.00  0.00           O  
HETATM   38  O   UNL     1       2.322  -0.275  -0.429  1.00  0.00           O  
HETATM   39  O   UNL     1       3.586   0.034   1.358  1.00  0.00           O  
HETATM   40  O   UNL     1       4.745  -1.841  -0.318  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.455   1.556   0.474  1.00  0.00           O  
HETATM   42  P   UNL     1      -1.589  -2.258  -0.167  1.00  0.00           P  
HETATM   43  H   UNL     1       3.487  -3.427  -0.736  1.00  0.00           H  
HETATM   44  H   UNL     1       3.483  -2.108  -1.932  1.00  0.00           H  
HETATM   45  H   UNL     1       3.473   2.221  -0.776  1.00  0.00           H  
HETATM   46  H   UNL     1       2.013   2.398   0.226  1.00  0.00           H  
HETATM   47  H   UNL     1       0.902  -2.093  -1.711  1.00  0.00           H  
HETATM   48  H   UNL     1       1.085  -3.412  -0.530  1.00  0.00           H  
HETATM   49  H   UNL     1       2.429  -1.862   0.920  1.00  0.00           H  
HETATM   50  H   UNL     1       3.420   2.455   2.267  1.00  0.00           H  
HETATM   51  H   UNL     1       4.880   2.277   1.265  1.00  0.00           H  
HETATM   52  H   UNL     1       4.337   4.396   0.097  1.00  0.00           H  
HETATM   53  H   UNL     1       2.877   4.574   1.099  1.00  0.00           H  
HETATM   54  H   UNL     1       4.284   4.631   3.140  1.00  0.00           H  
HETATM   55  H   UNL     1       5.744   4.453   2.138  1.00  0.00           H  
HETATM   56  H   UNL     1       3.741   6.750   1.973  1.00  0.00           H  
HETATM   57  H   UNL     1       5.352   6.830   2.725  1.00  0.00           H  
HETATM   58  H   UNL     1       5.201   6.572   0.970  1.00  0.00           H  
HETATM   59  H   UNL     1       5.928  -2.146  -1.984  1.00  0.00           H  
HETATM   60  H   UNL     1       5.933  -3.464  -0.788  1.00  0.00           H  
HETATM   61  H   UNL     1       7.149  -0.693  -0.387  1.00  0.00           H  
HETATM   62  H   UNL     1       7.153  -2.012   0.809  1.00  0.00           H  
HETATM   63  H   UNL     1       8.431  -3.437  -0.767  1.00  0.00           H  
HETATM   64  H   UNL     1       9.647  -0.666  -0.367  1.00  0.00           H  
HETATM   65  H   UNL     1      10.930  -3.409  -0.747  1.00  0.00           H  
HETATM   66  H   UNL     1      10.925  -2.091  -1.943  1.00  0.00           H  
HETATM   67  H   UNL     1      12.145  -0.638  -0.347  1.00  0.00           H  
HETATM   68  H   UNL     1      12.150  -1.956   0.850  1.00  0.00           H  
HETATM   69  H   UNL     1      13.054  -2.133  -0.673  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.144   2.208  -1.425  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.381   4.003  -0.380  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.557   4.636  -1.349  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.793   6.430  -0.303  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.969   7.063  -1.273  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.475   7.455  -2.137  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.641   9.415  -0.868  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.206   8.858  -0.227  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.700   8.466   0.637  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.902  -2.962   3.068  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.959  -3.473   2.559  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.508  -1.762   0.424  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.996   0.465  -1.202  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.553  -4.037   1.109  1.00  0.00           H  
HETATM   84  H   UNL     1       9.652  -1.984   0.829  1.00  0.00           H  
HETATM   85  H   UNL     1       8.427  -2.118  -1.963  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.287   6.039   0.561  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.063   5.027  -2.213  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.875   3.611   0.484  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.650   2.600  -2.289  1.00  0.00           H  
CONECT    1    5   40   43   44                                       
CONECT    2   38   39   39    3                                       
CONECT    3    2   12   45   46                                       
CONECT    4   35    5   47   48                                       
CONECT    5    4    1   38   49                                       
CONECT    6    7   30   11   11                                       
CONECT    7   31    8    8    6                                       
CONECT    8   32    7    7    9                                       
CONECT    9    8   33   10   10                                       
CONECT   10    9    9   11   34                                       
CONECT   11    6    6   10   29                                       
CONECT   12    3   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   13   15   54   55                                       
CONECT   15   14   56   57   58                                       
CONECT   16   40   17   59   60                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19   63   85                                       
CONECT   19   18   20   64   84                                       
CONECT   20   19   21   65   66                                       
CONECT   21   20   67   68   69                                       
CONECT   22   41   41   34   23                                       
CONECT   23   22   24   70   89                                       
CONECT   24   23   25   71   88                                       
CONECT   25   24   26   72   87                                       
CONECT   26   25   27   73   86                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   76   77   78                                       
CONECT   29   11   42                                                 
CONECT   30    6   79                                                 
CONECT   31    7   80                                                 
CONECT   32    8   81                                                 
CONECT   33    9   82                                                 
CONECT   34   10   22                                                 
CONECT   35   42    4                                                 
CONECT   36   42   83                                                 
CONECT   37   42   42                                                 
CONECT   38    5    2                                                 
CONECT   39    2    2                                                 
CONECT   40    1   16                                                 
CONECT   41   22   22                                                 
CONECT   42   37   37   29   36                                       
CONECT   42   35                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   36                                                      
CONECT   84   19                                                      
CONECT   85   18                                                      
CONECT   86   26                                                      
CONECT   87   25                                                      
CONECT   88   24                                                      
CONECT   89   23                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
