COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.200   4.748  -1.558  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.338   5.569  -0.768  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.142   3.689   0.359  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.010   4.852   0.543  1.00  0.00           C  
HETATM    5  O   UNL     1       0.756   3.651   0.261  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.310   4.472   1.255  1.00  0.00           C  
HETATM    7  O   UNL     1       2.605   4.849   0.435  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.326   3.273   0.833  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.658   3.554   1.961  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.243   2.455  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.516   2.114   0.737  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.447   1.284  -0.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.721   0.943   0.627  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.651   0.113  -0.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.925  -0.228   0.517  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.856  -1.058  -0.370  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.129  -1.399   0.407  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.060  -2.229  -0.480  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.334  -2.570   0.296  1.00  0.00           C  
HETATM   20  C   UNL     1     -15.264  -3.401  -0.590  1.00  0.00           C  
HETATM   21  C   UNL     1     -16.538  -3.741   0.186  1.00  0.00           C  
HETATM   22  C   UNL     1     -17.468  -4.572  -0.700  1.00  0.00           C  
HETATM   23  C   UNL     1     -18.742  -4.912   0.076  1.00  0.00           C  
HETATM   24  C   UNL     1     -19.673  -5.743  -0.810  1.00  0.00           C  
HETATM   25  C   UNL     1       2.092   3.774   0.231  1.00  0.00           C  
HETATM   26  C   UNL     1       2.953   2.571  -0.056  1.00  0.00           C  
HETATM   27  C   UNL     1       4.427   2.980  -0.031  1.00  0.00           C  
HETATM   28  C   UNL     1       5.300   1.759  -0.323  1.00  0.00           C  
HETATM   29  C   UNL     1       6.774   2.168  -0.298  1.00  0.00           C  
HETATM   30  C   UNL     1       7.648   0.947  -0.590  1.00  0.00           C  
HETATM   31  C   UNL     1       9.122   1.357  -0.565  1.00  0.00           C  
HETATM   32  C   UNL     1       9.996   0.135  -0.856  1.00  0.00           C  
HETATM   33  C   UNL     1      11.470   0.545  -0.831  1.00  0.00           C  
HETATM   34  C   UNL     1      12.344  -0.677  -1.123  1.00  0.00           C  
HETATM   35  C   UNL     1      13.795  -0.273  -1.098  1.00  0.00           C  
HETATM   36  C   UNL     1      14.646  -0.934  -0.353  1.00  0.00           C  
HETATM   37  C   UNL     1      14.214  -2.197   0.347  1.00  0.00           C  
HETATM   38  C   UNL     1      15.176  -3.332  -0.009  1.00  0.00           C  
HETATM   39  C   UNL     1      14.736  -4.614   0.701  1.00  0.00           C  
HETATM   40  C   UNL     1      15.699  -5.749   0.346  1.00  0.00           C  
HETATM   41  C   UNL     1      15.259  -7.031   1.056  1.00  0.00           C  
HETATM   42  C   UNL     1      16.222  -8.166   0.701  1.00  0.00           C  
HETATM   43  H   UNL     1       0.584   5.761  -1.317  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.835   6.515  -0.551  1.00  0.00           H  
HETATM   45  H   UNL     1       0.574   5.514   1.183  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.843   5.377   1.546  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.080   3.884   2.143  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.502   3.027  -0.930  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.739   1.534  -0.333  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.257   1.542   1.627  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.020   3.035   1.030  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.707   1.856  -1.040  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.943   0.363  -0.443  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.461   0.371   1.517  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.225   1.864   0.920  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.911   0.685  -1.150  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.147  -0.808  -0.553  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.666  -0.800   1.407  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.429   0.693   0.810  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.115  -0.486  -1.260  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.352  -1.979  -0.663  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.870  -1.971   1.297  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.633  -0.478   0.700  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.319  -1.657  -1.370  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.556  -3.150  -0.773  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.074  -3.142   1.187  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.837  -1.649   0.590  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.524  -2.829  -1.481  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.760  -4.321  -0.883  1.00  0.00           H  
HETATM   70  H   UNL     1     -16.278  -4.313   1.077  1.00  0.00           H  
HETATM   71  H   UNL     1     -17.042  -2.820   0.480  1.00  0.00           H  
HETATM   72  H   UNL     1     -17.728  -4.000  -1.591  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.965  -5.492  -0.993  1.00  0.00           H  
HETATM   74  H   UNL     1     -18.483  -5.484   0.967  1.00  0.00           H  
HETATM   75  H   UNL     1     -19.246  -3.991   0.370  1.00  0.00           H  
HETATM   76  H   UNL     1     -19.932  -5.171  -1.701  1.00  0.00           H  
HETATM   77  H   UNL     1     -19.169  -6.664  -1.103  1.00  0.00           H  
HETATM   78  H   UNL     1     -20.580  -5.985  -0.257  1.00  0.00           H  
HETATM   79  H   UNL     1       2.775   1.808   0.701  1.00  0.00           H  
HETATM   80  H   UNL     1       2.703   2.172  -1.039  1.00  0.00           H  
HETATM   81  H   UNL     1       4.604   3.743  -0.789  1.00  0.00           H  
HETATM   82  H   UNL     1       4.676   3.379   0.952  1.00  0.00           H  
HETATM   83  H   UNL     1       5.123   0.996   0.435  1.00  0.00           H  
HETATM   84  H   UNL     1       5.051   1.360  -1.306  1.00  0.00           H  
HETATM   85  H   UNL     1       6.952   2.932  -1.056  1.00  0.00           H  
HETATM   86  H   UNL     1       7.024   2.568   0.685  1.00  0.00           H  
HETATM   87  H   UNL     1       7.470   0.184   0.168  1.00  0.00           H  
HETATM   88  H   UNL     1       7.399   0.548  -1.573  1.00  0.00           H  
HETATM   89  H   UNL     1       9.300   2.120  -1.322  1.00  0.00           H  
HETATM   90  H   UNL     1       9.372   1.756   0.419  1.00  0.00           H  
HETATM   91  H   UNL     1       9.818  -0.628  -0.098  1.00  0.00           H  
HETATM   92  H   UNL     1       9.746  -0.264  -1.839  1.00  0.00           H  
HETATM   93  H   UNL     1      11.648   1.308  -1.589  1.00  0.00           H  
HETATM   94  H   UNL     1      11.720   0.944   0.152  1.00  0.00           H  
HETATM   95  H   UNL     1      12.166  -1.440  -0.365  1.00  0.00           H  
HETATM   96  H   UNL     1      12.094  -1.076  -2.106  1.00  0.00           H  
HETATM   97  H   UNL     1      14.134   0.560  -1.695  1.00  0.00           H  
HETATM   98  H   UNL     1      15.658  -0.573  -0.239  1.00  0.00           H  
HETATM   99  H   UNL     1      14.223  -2.036   1.425  1.00  0.00           H  
HETATM  100  H   UNL     1      13.206  -2.461   0.027  1.00  0.00           H  
HETATM  101  H   UNL     1      15.167  -3.492  -1.087  1.00  0.00           H  
HETATM  102  H   UNL     1      16.184  -3.067   0.310  1.00  0.00           H  
HETATM  103  H   UNL     1      14.746  -4.454   1.779  1.00  0.00           H  
HETATM  104  H   UNL     1      13.729  -4.879   0.382  1.00  0.00           H  
HETATM  105  H   UNL     1      15.689  -5.909  -0.732  1.00  0.00           H  
HETATM  106  H   UNL     1      16.707  -5.484   0.665  1.00  0.00           H  
HETATM  107  H   UNL     1      15.269  -6.871   2.134  1.00  0.00           H  
HETATM  108  H   UNL     1      14.252  -7.296   0.737  1.00  0.00           H  
HETATM  109  H   UNL     1      16.212  -8.326  -0.378  1.00  0.00           H  
HETATM  110  H   UNL     1      17.230  -7.901   1.020  1.00  0.00           H  
HETATM  111  H   UNL     1      15.909  -9.080   1.206  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.449   5.140  -2.406  1.00  0.00           H  
CONECT    1    2  112                                                 
CONECT    2    1    4   43   44                                       
CONECT    3    8    6                                                 
CONECT    4    2    5    6   45                                       
CONECT    5    4   25                                                 
CONECT    6    3    4   46   47                                       
CONECT    7   25   25                                                 
CONECT    8    3   10    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   48   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   19   21   68   69                                       
CONECT   21   20   22   70   71                                       
CONECT   22   21   23   72   73                                       
CONECT   23   22   24   74   75                                       
CONECT   24   23   76   77   78                                       
CONECT   25    5    7    7   26                                       
CONECT   26   25   27   79   80                                       
CONECT   27   26   28   81   82                                       
CONECT   28   27   29   83   84                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   87   88                                       
CONECT   31   30   32   89   90                                       
CONECT   32   31   33   91   92                                       
CONECT   33   32   34   93   94                                       
CONECT   34   33   35   95   96                                       
CONECT   35   34   36   36   97                                       
CONECT   36   35   35   37   98                                       
CONECT   37   36   38   99  100                                       
CONECT   38   37   39  101  102                                       
CONECT   39   38   40  103  104                                       
CONECT   40   39   41  105  106                                       
CONECT   41   40   42  107  108                                       
CONECT   42   41  109  110  111                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112    1                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
