COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.932   0.326   1.751  1.00  0.00           C  
HETATM    2  C   UNL     1       7.496   1.618   1.306  1.00  0.00           C  
HETATM    3  C   UNL     1       7.659   1.895  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       7.302   0.960  -1.045  1.00  0.00           C  
HETATM    5  C   UNL     1       6.746  -0.330  -0.595  1.00  0.00           C  
HETATM    6  C   UNL     1       6.579  -0.599   0.850  1.00  0.00           C  
HETATM    7  C   UNL     1       6.760   0.046   3.222  1.00  0.00           C  
HETATM    8  C   UNL     1       7.209   4.086  -0.211  1.00  0.00           C  
HETATM    9  C   UNL     1       8.472   0.322  -2.842  1.00  0.00           C  
HETATM   10  C   UNL     1       6.010  -1.917   1.308  1.00  0.00           C  
HETATM   11  C   UNL     1       4.505  -1.847   1.294  1.00  0.00           C  
HETATM   12  C   UNL     1       3.812  -2.757   0.657  1.00  0.00           C  
HETATM   13  C   UNL     1       4.507  -3.961   0.073  1.00  0.00           C  
HETATM   14  C   UNL     1       2.321  -2.602   0.507  1.00  0.00           C  
HETATM   15  C   UNL     1       2.009  -1.946  -0.840  1.00  0.00           C  
HETATM   16  C   UNL     1       0.517  -1.791  -0.990  1.00  0.00           C  
HETATM   17  C   UNL     1       0.007  -0.620  -1.283  1.00  0.00           C  
HETATM   18  C   UNL     1       0.914   0.533  -1.627  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.487  -0.427  -1.276  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.924   0.130   0.080  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.418   0.323   0.087  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.143  -0.206   1.041  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.490  -1.055   2.101  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.630   0.035   1.080  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.353  -1.123   0.389  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.840  -0.882   0.427  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.509  -0.739  -0.689  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.774  -0.646  -2.002  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.014  -0.666  -0.662  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.453   0.800  -0.637  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.958   0.872  -0.609  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.563   1.584   0.310  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.759   2.464   1.232  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.063   1.521   0.446  1.00  0.00           C  
HETATM   35  O   UNL     1       7.816   2.456   2.126  1.00  0.00           O  
HETATM   36  O   UNL     1       8.172   3.084  -0.545  1.00  0.00           O  
HETATM   37  O   UNL     1       7.456   1.209  -2.371  1.00  0.00           O  
HETATM   38  O   UNL     1       6.425  -1.171  -1.411  1.00  0.00           O  
HETATM   39  H   UNL     1       7.666  -0.417   3.612  1.00  0.00           H  
HETATM   40  H   UNL     1       6.574   0.982   3.750  1.00  0.00           H  
HETATM   41  H   UNL     1       5.916  -0.627   3.367  1.00  0.00           H  
HETATM   42  H   UNL     1       6.296   3.917  -0.783  1.00  0.00           H  
HETATM   43  H   UNL     1       6.985   4.034   0.854  1.00  0.00           H  
HETATM   44  H   UNL     1       7.611   5.070  -0.450  1.00  0.00           H  
HETATM   45  H   UNL     1       9.419   0.564  -2.360  1.00  0.00           H  
HETATM   46  H   UNL     1       8.196  -0.706  -2.605  1.00  0.00           H  
HETATM   47  H   UNL     1       8.577   0.429  -3.922  1.00  0.00           H  
HETATM   48  H   UNL     1       6.343  -2.710   0.637  1.00  0.00           H  
HETATM   49  H   UNL     1       6.355  -2.129   2.320  1.00  0.00           H  
HETATM   50  H   UNL     1       3.997  -1.045   1.810  1.00  0.00           H  
HETATM   51  H   UNL     1       5.558  -3.949   0.362  1.00  0.00           H  
HETATM   52  H   UNL     1       4.037  -4.870   0.449  1.00  0.00           H  
HETATM   53  H   UNL     1       4.428  -3.934  -1.014  1.00  0.00           H  
HETATM   54  H   UNL     1       1.847  -3.583   0.552  1.00  0.00           H  
HETATM   55  H   UNL     1       1.938  -1.976   1.313  1.00  0.00           H  
HETATM   56  H   UNL     1       2.483  -0.965  -0.884  1.00  0.00           H  
HETATM   57  H   UNL     1       2.392  -2.572  -1.646  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.131  -2.644  -0.855  1.00  0.00           H  
HETATM   59  H   UNL     1       1.946   0.182  -1.673  1.00  0.00           H  
HETATM   60  H   UNL     1       0.627   0.945  -2.594  1.00  0.00           H  
HETATM   61  H   UNL     1       0.827   1.304  -0.862  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.767   0.273  -2.064  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.978  -1.385  -1.451  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.645  -0.570   0.867  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.433   1.087   0.255  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.892   0.898  -0.696  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.409  -1.047   1.958  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.729  -0.655   3.086  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.858  -2.078   2.024  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.960   0.103   2.116  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.861   0.967   0.563  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.022  -1.191  -0.648  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.122  -2.055   0.905  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.353  -0.828   1.376  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.701  -0.613  -1.816  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.010  -1.518  -2.612  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.081   0.258  -2.527  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.418  -1.151  -1.550  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.386  -1.172   0.229  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.050   1.285   0.252  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.082   1.306  -1.528  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.539   0.338  -1.347  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.697   2.344   1.014  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.045   3.505   1.081  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.952   2.180   2.266  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.467   0.838  -0.301  1.00  0.00           H  
HETATM   87  H   UNL     1     -14.323   1.166   1.443  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.483   2.516   0.293  1.00  0.00           H  
CONECT    1    2    6    6    7                                       
CONECT    2    1    3   35   35                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6   38   38                                       
CONECT    6    1    1    5   10                                       
CONECT    7    1   39   40   41                                       
CONECT    8   36   42   43   44                                       
CONECT    9   37   45   46   47                                       
CONECT   10    6   11   48   49                                       
CONECT   11   10   12   12   50                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   51   52   53                                       
CONECT   14   12   15   54   55                                       
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   17   58                                       
CONECT   17   16   16   18   19                                       
CONECT   18   17   59   60   61                                       
CONECT   19   17   20   62   63                                       
CONECT   20   19   21   64   65                                       
CONECT   21   20   22   22   66                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   67   68   69                                       
CONECT   24   22   25   70   71                                       
CONECT   25   24   26   72   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   75   76   77                                       
CONECT   29   27   30   78   79                                       
CONECT   30   29   31   80   81                                       
CONECT   31   30   32   32   82                                       
CONECT   32   31   31   33   34                                       
CONECT   33   32   83   84   85                                       
CONECT   34   32   86   87   88                                       
CONECT   35    2    2                                                 
CONECT   36    3    8                                                 
CONECT   37    4    9                                                 
CONECT   38    5    5                                                 
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
