COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.128  -0.646  -2.871  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.724   1.398   2.563  1.00  0.00           C  
HETATM    3  C   UNL     1       4.883   3.892   3.228  1.00  0.00           C  
HETATM    4  C   UNL     1       4.527   3.827  -3.529  1.00  0.00           C  
HETATM    5  C   UNL     1       9.434   0.391   0.284  1.00  0.00           C  
HETATM    6  C   UNL     1       4.552  -2.953  -1.572  1.00  0.00           C  
HETATM    7  C   UNL     1       1.223  -8.106   1.072  1.00  0.00           C  
HETATM    8  C   UNL     1       1.750  -7.230  -1.207  1.00  0.00           C  
HETATM    9  C   UNL     1       2.262  -7.366   0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       2.500  -5.974   0.818  1.00  0.00           C  
HETATM   11  C   UNL     1       3.628  -5.281   0.050  1.00  0.00           C  
HETATM   12  C   UNL     1       3.866  -3.890   0.641  1.00  0.00           C  
HETATM   13  C   UNL     1       4.993  -3.197  -0.127  1.00  0.00           C  
HETATM   14  C   UNL     1       5.317  -1.858   0.540  1.00  0.00           C  
HETATM   15  C   UNL     1       6.525  -1.223  -0.151  1.00  0.00           C  
HETATM   16  C   UNL     1       6.848   0.116   0.516  1.00  0.00           C  
HETATM   17  C   UNL     1       8.038   0.742  -0.165  1.00  0.00           C  
HETATM   18  C   UNL     1       7.860   1.590  -1.147  1.00  0.00           C  
HETATM   19  C   UNL     1       6.478   1.823  -1.700  1.00  0.00           C  
HETATM   20  C   UNL     1       6.093   3.291  -1.512  1.00  0.00           C  
HETATM   21  C   UNL     1       4.711   3.524  -2.065  1.00  0.00           C  
HETATM   22  C   UNL     1       3.669   3.462  -1.273  1.00  0.00           C  
HETATM   23  C   UNL     1       3.836   3.016   0.157  1.00  0.00           C  
HETATM   24  C   UNL     1       3.397   4.142   1.097  1.00  0.00           C  
HETATM   25  C   UNL     1       3.564   3.696   2.526  1.00  0.00           C  
HETATM   26  C   UNL     1       2.562   3.138   3.159  1.00  0.00           C  
HETATM   27  C   UNL     1       1.271   2.861   2.432  1.00  0.00           C  
HETATM   28  C   UNL     1       0.885   1.392   2.619  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.405   1.115   1.891  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.380   0.629   0.675  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.665   0.230  -0.004  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.800   0.986  -1.327  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.085   0.587  -2.005  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.165   1.310  -1.841  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.436   0.941  -2.562  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.035  -1.383  -1.045  1.00  0.00           O  
HETATM   37  O   UNL     1      -9.193   2.771  -0.209  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.096  -1.737   0.825  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.139  -1.819   1.735  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.961  -0.731   1.958  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.755   0.457   1.273  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.364   1.883  -1.357  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.563   0.830  -1.568  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.769  -0.437  -0.841  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.874  -0.552   0.135  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.714   0.554   0.357  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.476   1.807  -0.390  1.00  0.00           C  
HETATM   48  H   UNL     1      -2.129  -1.075  -2.942  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.807  -1.376  -2.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.480  -0.377  -3.868  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.546   1.868   3.530  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.315   2.067   1.937  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.266   0.463   2.707  1.00  0.00           H  
HETATM   54  H   UNL     1       4.890   4.864   3.722  1.00  0.00           H  
HETATM   55  H   UNL     1       5.019   3.106   3.971  1.00  0.00           H  
HETATM   56  H   UNL     1       5.692   3.848   2.500  1.00  0.00           H  
HETATM   57  H   UNL     1       4.392   2.896  -4.079  1.00  0.00           H  
HETATM   58  H   UNL     1       3.647   4.458  -3.662  1.00  0.00           H  
HETATM   59  H   UNL     1       5.407   4.348  -3.906  1.00  0.00           H  
HETATM   60  H   UNL     1       9.792  -0.469  -0.282  1.00  0.00           H  
HETATM   61  H   UNL     1      10.095   1.241   0.112  1.00  0.00           H  
HETATM   62  H   UNL     1       9.423   0.148   1.347  1.00  0.00           H  
HETATM   63  H   UNL     1       4.321  -3.907  -2.047  1.00  0.00           H  
HETATM   64  H   UNL     1       3.664  -2.320  -1.579  1.00  0.00           H  
HETATM   65  H   UNL     1       5.355  -2.459  -2.119  1.00  0.00           H  
HETATM   66  H   UNL     1       1.053  -9.097   0.652  1.00  0.00           H  
HETATM   67  H   UNL     1       1.587  -8.203   2.095  1.00  0.00           H  
HETATM   68  H   UNL     1       0.288  -7.546   1.072  1.00  0.00           H  
HETATM   69  H   UNL     1       2.490  -6.702  -1.809  1.00  0.00           H  
HETATM   70  H   UNL     1       1.579  -8.221  -1.628  1.00  0.00           H  
HETATM   71  H   UNL     1       0.815  -6.669  -1.208  1.00  0.00           H  
HETATM   72  H   UNL     1       3.197  -7.926   0.229  1.00  0.00           H  
HETATM   73  H   UNL     1       1.588  -5.384   0.737  1.00  0.00           H  
HETATM   74  H   UNL     1       2.780  -6.068   1.868  1.00  0.00           H  
HETATM   75  H   UNL     1       4.540  -5.872   0.132  1.00  0.00           H  
HETATM   76  H   UNL     1       3.348  -5.188  -0.999  1.00  0.00           H  
HETATM   77  H   UNL     1       2.954  -3.299   0.559  1.00  0.00           H  
HETATM   78  H   UNL     1       4.146  -3.983   1.690  1.00  0.00           H  
HETATM   79  H   UNL     1       5.881  -3.830  -0.120  1.00  0.00           H  
HETATM   80  H   UNL     1       4.458  -1.193   0.454  1.00  0.00           H  
HETATM   81  H   UNL     1       5.545  -2.023   1.593  1.00  0.00           H  
HETATM   82  H   UNL     1       7.384  -1.888  -0.066  1.00  0.00           H  
HETATM   83  H   UNL     1       6.296  -1.058  -1.204  1.00  0.00           H  
HETATM   84  H   UNL     1       5.989   0.781   0.430  1.00  0.00           H  
HETATM   85  H   UNL     1       7.077  -0.049   1.569  1.00  0.00           H  
HETATM   86  H   UNL     1       8.704   2.123  -1.560  1.00  0.00           H  
HETATM   87  H   UNL     1       6.465   1.577  -2.762  1.00  0.00           H  
HETATM   88  H   UNL     1       5.764   1.190  -1.173  1.00  0.00           H  
HETATM   89  H   UNL     1       6.106   3.537  -0.450  1.00  0.00           H  
HETATM   90  H   UNL     1       6.807   3.924  -2.039  1.00  0.00           H  
HETATM   91  H   UNL     1       2.691   3.731  -1.644  1.00  0.00           H  
HETATM   92  H   UNL     1       3.222   2.134   0.336  1.00  0.00           H  
HETATM   93  H   UNL     1       4.882   2.775   0.343  1.00  0.00           H  
HETATM   94  H   UNL     1       4.011   5.024   0.918  1.00  0.00           H  
HETATM   95  H   UNL     1       2.351   4.383   0.911  1.00  0.00           H  
HETATM   96  H   UNL     1       2.660   2.876   4.202  1.00  0.00           H  
HETATM   97  H   UNL     1       0.483   3.498   2.834  1.00  0.00           H  
HETATM   98  H   UNL     1       1.401   3.070   1.370  1.00  0.00           H  
HETATM   99  H   UNL     1       1.673   0.755   2.216  1.00  0.00           H  
HETATM  100  H   UNL     1       0.756   1.183   3.681  1.00  0.00           H  
HETATM  101  H   UNL     1       0.561   0.515   0.158  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.655  -0.843  -0.198  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.508   0.474   0.642  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.810   2.059  -1.132  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.957   0.742  -1.972  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.144   2.171  -1.190  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.673   1.711  -3.296  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.302  -0.015  -3.068  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.456  -2.591   0.656  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.309  -2.739   2.274  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.770  -0.807   2.669  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.402   1.303   1.451  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.192   2.800  -1.900  1.00  0.00           H  
CONECT    1   33   48   49   50                                       
CONECT    2   29   51   52   53                                       
CONECT    3   25   54   55   56                                       
CONECT    4   21   57   58   59                                       
CONECT    5   17   60   61   62                                       
CONECT    6   13   63   64   65                                       
CONECT    7    9   66   67   68                                       
CONECT    8    9   69   70   71                                       
CONECT    9    8    7   10   72                                       
CONECT   10    9   11   73   74                                       
CONECT   11   10   12   75   76                                       
CONECT   12   11   13   77   78                                       
CONECT   13   12    6   14   79                                       
CONECT   14   13   15   80   81                                       
CONECT   15   14   16   82   83                                       
CONECT   16   15   17   84   85                                       
CONECT   17   16    5   18   18                                       
CONECT   18   17   17   19   86                                       
CONECT   19   18   20   87   88                                       
CONECT   20   19   21   89   90                                       
CONECT   21   20    4   22   22                                       
CONECT   22   21   21   23   91                                       
CONECT   23   22   24   92   93                                       
CONECT   24   23   25   94   95                                       
CONECT   25   24   26   26    3                                       
CONECT   26   27   25   25   96                                       
CONECT   27   28   26   97   98                                       
CONECT   28   27   29   99  100                                       
CONECT   29    2   28   30   30                                       
CONECT   30   29   29   31  101                                       
CONECT   31   30   32  102  103                                       
CONECT   32   31   33  104  105                                       
CONECT   33   32   34   34    1                                       
CONECT   34   33   33   35  106                                       
CONECT   35   34   43  107  108                                       
CONECT   36   44   44                                                 
CONECT   37   47   47                                                 
CONECT   38   45   39   39  109                                       
CONECT   39   38   38   40  110                                       
CONECT   40   39   41   41  111                                       
CONECT   41   46   40   40  112                                       
CONECT   42   43   43   47  113                                       
CONECT   43   35   44   42   42                                       
CONECT   44   36   36   43   45                                       
CONECT   45   44   38   46   46                                       
CONECT   46   45   45   47   41                                       
CONECT   47   42   46   37   37                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   18                                                      
CONECT   87   19                                                      
CONECT   88   19                                                      
CONECT   89   20                                                      
CONECT   90   20                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   23                                                      
CONECT   94   24                                                      
CONECT   95   24                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   28                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   41                                                      
CONECT  113   42                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
