COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.502  -1.138   0.865  1.00  0.00           C  
HETATM    2  C   UNL     1      13.394  -0.154   1.628  1.00  0.00           C  
HETATM    3  C   UNL     1      11.517  -0.369   0.024  1.00  0.00           C  
HETATM    4  C   UNL     1      14.098   0.761   0.622  1.00  0.00           C  
HETATM    5  C   UNL     1      13.368  -2.017  -0.038  1.00  0.00           C  
HETATM    6  C   UNL     1      11.745  -2.018   1.862  1.00  0.00           C  
HETATM    7  C   UNL     1      11.833   0.879  -0.472  1.00  0.00           C  
HETATM    8  C   UNL     1      13.065   1.471  -0.213  1.00  0.00           C  
HETATM    9  C   UNL     1      10.270  -0.925  -0.256  1.00  0.00           C  
HETATM   10  C   UNL     1      10.823   1.617  -1.312  1.00  0.00           C  
HETATM   11  C   UNL     1       9.115  -0.253   0.104  1.00  0.00           C  
HETATM   12  C   UNL     1       7.870  -0.754  -0.274  1.00  0.00           C  
HETATM   13  C   UNL     1       7.782  -2.027  -1.076  1.00  0.00           C  
HETATM   14  C   UNL     1       6.716  -0.082   0.086  1.00  0.00           C  
HETATM   15  C   UNL     1       5.471  -0.583  -0.293  1.00  0.00           C  
HETATM   16  C   UNL     1       4.317   0.089   0.068  1.00  0.00           C  
HETATM   17  C   UNL     1       3.071  -0.412  -0.311  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.786   0.684  -0.507  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.362  -0.165   0.628  1.00  0.00           C  
HETATM   20  C   UNL     1       2.983  -1.685  -1.113  1.00  0.00           C  
HETATM   21  C   UNL     1       1.917   0.260   0.049  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.441   1.225  -0.098  1.00  0.00           C  
HETATM   23  C   UNL     1     -15.707  -0.706   0.219  1.00  0.00           C  
HETATM   24  C   UNL     1     -15.898  -2.000   0.144  1.00  0.00           C  
HETATM   25  C   UNL     1     -12.352   2.498   0.703  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.325   0.575  -0.447  1.00  0.00           C  
HETATM   27  C   UNL     1       0.671  -0.241  -0.330  1.00  0.00           C  
HETATM   28  C   UNL     1     -17.275  -2.544  -0.135  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.739  -2.944   0.336  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.059   1.084  -0.062  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.925   0.424  -0.416  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.482   0.430   0.030  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.670   0.928  -0.034  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.729  -0.071  -0.349  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.530   0.264  -0.390  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.582   2.201   0.767  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.881   0.599   0.010  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.280   0.767  -0.010  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.129   0.097  -0.369  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.793   1.872   0.812  1.00  0.00           C  
HETATM   41  O   UNL     1      13.310   2.573  -0.667  1.00  0.00           O  
HETATM   42  H   UNL     1      12.782   0.447   2.302  1.00  0.00           H  
HETATM   43  H   UNL     1      14.137  -0.706   2.204  1.00  0.00           H  
HETATM   44  H   UNL     1      14.700   1.495   1.157  1.00  0.00           H  
HETATM   45  H   UNL     1      14.742   0.164  -0.024  1.00  0.00           H  
HETATM   46  H   UNL     1      12.733  -2.717  -0.581  1.00  0.00           H  
HETATM   47  H   UNL     1      13.907  -1.390  -0.748  1.00  0.00           H  
HETATM   48  H   UNL     1      14.081  -2.572   0.571  1.00  0.00           H  
HETATM   49  H   UNL     1      11.164  -1.388   2.536  1.00  0.00           H  
HETATM   50  H   UNL     1      11.074  -2.685   1.321  1.00  0.00           H  
HETATM   51  H   UNL     1      12.457  -2.608   2.439  1.00  0.00           H  
HETATM   52  H   UNL     1      10.205  -1.881  -0.755  1.00  0.00           H  
HETATM   53  H   UNL     1      11.254   2.557  -1.657  1.00  0.00           H  
HETATM   54  H   UNL     1      10.549   1.005  -2.171  1.00  0.00           H  
HETATM   55  H   UNL     1       9.935   1.823  -0.714  1.00  0.00           H  
HETATM   56  H   UNL     1       9.178   0.659   0.678  1.00  0.00           H  
HETATM   57  H   UNL     1       7.715  -2.879  -0.399  1.00  0.00           H  
HETATM   58  H   UNL     1       6.896  -1.997  -1.710  1.00  0.00           H  
HETATM   59  H   UNL     1       8.671  -2.127  -1.699  1.00  0.00           H  
HETATM   60  H   UNL     1       6.779   0.831   0.660  1.00  0.00           H  
HETATM   61  H   UNL     1       5.407  -1.495  -0.867  1.00  0.00           H  
HETATM   62  H   UNL     1       4.380   1.002   0.642  1.00  0.00           H  
HETATM   63  H   UNL     1     -13.674   0.068  -1.400  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.462   1.512  -0.720  1.00  0.00           H  
HETATM   65  H   UNL     1     -13.686  -0.993   0.841  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.474   0.451   1.521  1.00  0.00           H  
HETATM   67  H   UNL     1       2.916  -2.536  -0.436  1.00  0.00           H  
HETATM   68  H   UNL     1       2.096  -1.654  -1.747  1.00  0.00           H  
HETATM   69  H   UNL     1       3.872  -1.784  -1.735  1.00  0.00           H  
HETATM   70  H   UNL     1       1.980   1.172   0.623  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.515  -0.027  -0.012  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.377   2.260   1.767  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.421   3.012   0.467  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.196   3.142   0.456  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.388  -0.337  -1.021  1.00  0.00           H  
HETATM   76  H   UNL     1       0.608  -1.153  -0.904  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.415  -2.645  -1.211  1.00  0.00           H  
HETATM   78  H   UNL     1     -17.383  -3.520   0.339  1.00  0.00           H  
HETATM   79  H   UNL     1     -18.024  -1.860   0.267  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.595  -3.131   1.401  1.00  0.00           H  
HETATM   81  H   UNL     1     -14.949  -3.885  -0.172  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.835  -2.500  -0.080  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.996   1.997   0.513  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.988  -0.489  -0.990  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.419   1.342   0.604  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.792  -0.984  -0.924  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.594  -0.648  -0.965  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.606   1.963   1.831  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.650   2.715   0.531  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.426   2.846   0.520  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.217   1.680   0.564  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.193  -0.815  -0.944  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.726   2.724   0.135  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.682   1.972   1.434  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.907   1.842   1.446  1.00  0.00           H  
CONECT    1    3    6    2    5                                       
CONECT    2    4    1   42   43                                       
CONECT    3    7    7    9    1                                       
CONECT    4    8    2   44   45                                       
CONECT    5    1   46   47   48                                       
CONECT    6    1   49   50   51                                       
CONECT    7   10    8    3    3                                       
CONECT    8   41   41    7    4                                       
CONECT    9    3   11   11   52                                       
CONECT   10    7   53   54   55                                       
CONECT   11    9    9   12   56                                       
CONECT   12   13   11   14   14                                       
CONECT   13   12   57   58   59                                       
CONECT   14   12   12   15   60                                       
CONECT   15   14   16   16   61                                       
CONECT   16   15   15   17   62                                       
CONECT   17   20   16   21   21                                       
CONECT   18   19   22   63   64                                       
CONECT   19   18   23   65   66                                       
CONECT   20   17   67   68   69                                       
CONECT   21   17   17   27   70                                       
CONECT   22   26   26   18   25                                       
CONECT   23   19   24   24   71                                       
CONECT   24   28   23   23   29                                       
CONECT   25   22   72   73   74                                       
CONECT   26   30   22   22   75                                       
CONECT   27   21   32   32   76                                       
CONECT   28   24   77   78   79                                       
CONECT   29   24   80   81   82                                       
CONECT   30   31   31   26   83                                       
CONECT   31   33   30   30   84                                       
CONECT   32   27   27   34   85                                       
CONECT   33   35   35   31   36                                       
CONECT   34   32   37   37   86                                       
CONECT   35   38   33   33   87                                       
CONECT   36   33   88   89   90                                       
CONECT   37   34   34   39   40                                       
CONECT   38   39   39   35   91                                       
CONECT   39   37   38   38   92                                       
CONECT   40   37   93   94   95                                       
CONECT   41    8    8                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
