COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.650   0.918   4.388  1.00  0.00           C  
HETATM    2  O   UNL     1       2.669   0.041   3.905  1.00  0.00           O  
HETATM    3  C   UNL     1       3.195   0.320   2.682  1.00  0.00           C  
HETATM    4  C   UNL     1       2.742   1.418   1.966  1.00  0.00           C  
HETATM    5  C   UNL     1       4.190  -0.492   2.151  1.00  0.00           C  
HETATM    6  O   UNL     1       4.641  -1.567   2.853  1.00  0.00           O  
HETATM    7  C   UNL     1       3.946  -2.802   2.665  1.00  0.00           C  
HETATM    8  C   UNL     1       4.724  -0.202   0.901  1.00  0.00           C  
HETATM    9  O   UNL     1       5.698  -0.994   0.376  1.00  0.00           O  
HETATM   10  C   UNL     1       6.200  -0.636  -0.913  1.00  0.00           C  
HETATM   11  C   UNL     1       4.262   0.894   0.189  1.00  0.00           C  
HETATM   12  C   UNL     1       3.280   1.706   0.725  1.00  0.00           C  
HETATM   13  C   UNL     1       2.781   2.896  -0.052  1.00  0.00           C  
HETATM   14  C   UNL     1       3.132   4.181   0.701  1.00  0.00           C  
HETATM   15  C   UNL     1       4.629   4.344   0.746  1.00  0.00           C  
HETATM   16  C   UNL     1       5.182   5.445   0.300  1.00  0.00           C  
HETATM   17  C   UNL     1       1.286   2.800  -0.212  1.00  0.00           C  
HETATM   18  O   UNL     1       0.681   1.873   0.282  1.00  0.00           O  
HETATM   19  N   UNL     1       0.620   3.746  -0.905  1.00  0.00           N  
HETATM   20  C   UNL     1       1.349   4.815  -1.602  1.00  0.00           C  
HETATM   21  C   UNL     1       0.903   4.840  -3.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.620   4.972  -3.132  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.268   3.764  -2.451  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.847   3.724  -0.983  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.369   2.464  -0.343  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.845   2.503   0.767  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.306   1.298  -1.005  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.952   0.153  -0.388  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.360  -1.136  -0.960  1.00  0.00           C  
HETATM   30  C   UNL     1       0.127  -1.214  -0.609  1.00  0.00           C  
HETATM   31  C   UNL     1       0.685  -2.533  -1.078  1.00  0.00           C  
HETATM   32  C   UNL     1       0.777  -3.595  -0.199  1.00  0.00           C  
HETATM   33  C   UNL     1       1.099  -2.679  -2.389  1.00  0.00           C  
HETATM   34  C   UNL     1       1.612  -3.887  -2.825  1.00  0.00           C  
HETATM   35  C   UNL     1       1.712  -4.954  -1.947  1.00  0.00           C  
HETATM   36  O   UNL     1       2.217  -6.143  -2.374  1.00  0.00           O  
HETATM   37  C   UNL     1       2.624  -6.221  -3.741  1.00  0.00           C  
HETATM   38  C   UNL     1       1.285  -4.810  -0.630  1.00  0.00           C  
HETATM   39  O   UNL     1       1.382  -5.854   0.236  1.00  0.00           O  
HETATM   40  C   UNL     1       0.925  -5.634   1.571  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.431   0.197  -0.674  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.336  -0.144   0.313  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.882   0.584  -1.922  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.239   0.626  -2.188  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.147   0.282  -1.206  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.697  -0.103   0.049  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.589  -0.439   1.018  1.00  0.00           O  
HETATM   48  C   UNL     1      -7.974  -0.374   0.676  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.806  -0.778   1.866  1.00  0.00           C  
HETATM   50  O   UNL     1     -10.145  -0.791   1.776  1.00  0.00           O  
HETATM   51  O   UNL     1      -8.267  -1.089   2.901  1.00  0.00           O  
HETATM   52  H   UNL     1       2.047   1.930   4.464  1.00  0.00           H  
HETATM   53  H   UNL     1       0.806   0.910   3.698  1.00  0.00           H  
HETATM   54  H   UNL     1       1.318   0.583   5.371  1.00  0.00           H  
HETATM   55  H   UNL     1       1.969   2.049   2.378  1.00  0.00           H  
HETATM   56  H   UNL     1       4.338  -3.548   3.356  1.00  0.00           H  
HETATM   57  H   UNL     1       2.883  -2.653   2.855  1.00  0.00           H  
HETATM   58  H   UNL     1       4.087  -3.145   1.640  1.00  0.00           H  
HETATM   59  H   UNL     1       6.628   0.366  -0.871  1.00  0.00           H  
HETATM   60  H   UNL     1       6.970  -1.348  -1.213  1.00  0.00           H  
HETATM   61  H   UNL     1       5.386  -0.654  -1.638  1.00  0.00           H  
HETATM   62  H   UNL     1       4.676   1.120  -0.783  1.00  0.00           H  
HETATM   63  H   UNL     1       3.251   2.911  -1.035  1.00  0.00           H  
HETATM   64  H   UNL     1       2.688   5.035   0.190  1.00  0.00           H  
HETATM   65  H   UNL     1       2.742   4.124   1.718  1.00  0.00           H  
HETATM   66  H   UNL     1       5.247   3.553   1.145  1.00  0.00           H  
HETATM   67  H   UNL     1       4.564   6.236  -0.099  1.00  0.00           H  
HETATM   68  H   UNL     1       6.255   5.562   0.332  1.00  0.00           H  
HETATM   69  H   UNL     1       1.125   5.774  -1.136  1.00  0.00           H  
HETATM   70  H   UNL     1       2.420   4.623  -1.547  1.00  0.00           H  
HETATM   71  H   UNL     1       1.363   5.689  -3.574  1.00  0.00           H  
HETATM   72  H   UNL     1       1.209   3.915  -3.557  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.927   5.885  -2.621  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.938   5.015  -4.174  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.353   3.845  -2.516  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.940   2.852  -2.949  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.248   4.594  -0.463  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.790   0.181   0.689  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.880  -1.995  -0.534  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.479  -1.141  -2.044  1.00  0.00           H  
HETATM   81  H   UNL     1       0.659  -0.399  -1.099  1.00  0.00           H  
HETATM   82  H   UNL     1       0.250  -1.131   0.471  1.00  0.00           H  
HETATM   83  H   UNL     1       0.454  -3.478   0.825  1.00  0.00           H  
HETATM   84  H   UNL     1       1.022  -1.848  -3.075  1.00  0.00           H  
HETATM   85  H   UNL     1       1.934  -3.999  -3.850  1.00  0.00           H  
HETATM   86  H   UNL     1       3.006  -7.220  -3.949  1.00  0.00           H  
HETATM   87  H   UNL     1       1.770  -6.017  -4.387  1.00  0.00           H  
HETATM   88  H   UNL     1       3.407  -5.486  -3.929  1.00  0.00           H  
HETATM   89  H   UNL     1       1.058  -6.544   2.156  1.00  0.00           H  
HETATM   90  H   UNL     1       1.498  -4.825   2.023  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.132  -5.365   1.554  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.983  -0.443   1.289  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.174   0.855  -2.691  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.588   0.930  -3.164  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.206   0.315  -1.413  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.229   0.645   0.384  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.176  -1.051  -0.155  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.635  -1.057   2.566  1.00  0.00           H  
CONECT    1    2   52   53   54                                       
CONECT    2    3    1                                                 
CONECT    3    4    4    5    2                                       
CONECT    4   12    3    3   55                                       
CONECT    5    8    8    3    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   56   57   58                                       
CONECT    8   11    9    5    5                                       
CONECT    9   10    8                                                 
CONECT   10    9   59   60   61                                       
CONECT   11   12   12    8   62                                       
CONECT   12   13   11   11    4                                       
CONECT   13   14   17   12   63                                       
CONECT   14   15   13   64   65                                       
CONECT   15   16   16   14   66                                       
CONECT   16   15   15   67   68                                       
CONECT   17   18   18   13   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   24   20                                            
CONECT   20   19   21   69   70                                       
CONECT   21   22   20   71   72                                       
CONECT   22   23   21   73   74                                       
CONECT   23   24   22   75   76                                       
CONECT   24   23   19   25   77                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27   29   41   78                                       
CONECT   29   28   30   79   80                                       
CONECT   30   29   31   81   82                                       
CONECT   31   32   32   33   30                                       
CONECT   32   38   31   31   83                                       
CONECT   33   34   34   31   84                                       
CONECT   34   35   33   33   85                                       
CONECT   35   36   38   38   34                                       
CONECT   36   37   35                                                 
CONECT   37   36   86   87   88                                       
CONECT   38   39   35   35   32                                       
CONECT   39   40   38                                                 
CONECT   40   39   89   90   91                                       
CONECT   41   28   43   43   42                                       
CONECT   42   41   46   46   92                                       
CONECT   43   41   41   44   93                                       
CONECT   44   43   45   45   94                                       
CONECT   45   44   44   46   95                                       
CONECT   46   42   42   45   47                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   96   97                                       
CONECT   49   48   51   51   50                                       
CONECT   50   49   98                                                 
CONECT   51   49   49                                                 
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    4                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   40                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   48                                                      
CONECT   97   48                                                      
CONECT   98   50                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
