COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.742   0.190  -1.545  1.00  0.00           C  
HETATM    2  C   UNL     1       4.035  -0.345  -0.984  1.00  0.00           C  
HETATM    3  C   UNL     1       4.211  -1.803  -1.405  1.00  0.00           C  
HETATM    4  C   UNL     1       5.453  -2.382  -0.724  1.00  0.00           C  
HETATM    5  C   UNL     1       5.272  -2.335   0.794  1.00  0.00           C  
HETATM    6  C   UNL     1       5.111  -0.879   1.240  1.00  0.00           C  
HETATM    7  C   UNL     1       2.989   0.337   1.121  1.00  0.00           C  
HETATM    8  C   UNL     1       3.036   0.513   2.617  1.00  0.00           C  
HETATM    9  C   UNL     1       1.643   0.757   3.137  1.00  0.00           C  
HETATM   10  C   UNL     1       1.088  -0.111   4.058  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.192   0.108   4.539  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.920   1.206   4.095  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.359   2.079   3.170  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.066   3.155   2.732  1.00  0.00           O  
HETATM   15  C   UNL     1       4.102   1.792   4.480  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.737  -0.747   5.444  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.231   3.847   1.802  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.046   2.246   5.728  1.00  0.00           C  
HETATM   19  C   UNL     1       0.241  -1.757   5.698  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.592  -3.656   3.591  1.00  0.00           C  
HETATM   21  C   UNL     1       0.840  -1.603  -3.920  1.00  0.00           C  
HETATM   22  C   UNL     1       0.732  -1.967  -5.249  1.00  0.00           C  
HETATM   23  C   UNL     1       0.043  -1.160  -6.134  1.00  0.00           C  
HETATM   24  C   UNL     1       0.260  -0.430  -3.472  1.00  0.00           C  
HETATM   25  C   UNL     1       0.380  -0.035  -2.023  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.795  -0.617  -1.237  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.673  -0.217   0.234  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.833  -0.789   1.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.996  -0.057   1.150  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.065  -0.584   1.857  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.959  -1.847   2.432  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.788  -2.574   2.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.728  -2.044   1.580  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.539   0.016  -5.687  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.218   0.811  -6.556  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.154   0.175  -7.834  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.892   1.011  -8.848  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.418   2.046  -8.511  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.965   0.607 -10.126  1.00  0.00           O  
HETATM   40  C   UNL     1      -0.433   0.377  -4.352  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.012   1.367   1.303  1.00  0.00           C  
HETATM   42  N   UNL     1       4.008  -0.271   0.482  1.00  0.00           N  
HETATM   43  O   UNL     1       1.625  -0.551  -1.483  1.00  0.00           O  
HETATM   44  O   UNL     1       2.712   1.287  -2.050  1.00  0.00           O  
HETATM   45  O   UNL     1       2.035   0.743   0.492  1.00  0.00           O  
HETATM   46  C   UNL     1       3.926   1.709   2.962  1.00  0.00           C  
HETATM   47  C   UNL     1       0.925   1.854   2.697  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.178   1.427   4.565  1.00  0.00           O  
HETATM   49  O   UNL     1      -5.212   0.132   1.994  1.00  0.00           O  
HETATM   50  O   UNL     1      -5.003  -2.367   3.132  1.00  0.00           O  
HETATM   51  H   UNL     1       4.869   0.246  -1.359  1.00  0.00           H  
HETATM   52  H   UNL     1       4.330  -1.858  -2.487  1.00  0.00           H  
HETATM   53  H   UNL     1       3.332  -2.374  -1.106  1.00  0.00           H  
HETATM   54  H   UNL     1       6.328  -1.795  -1.004  1.00  0.00           H  
HETATM   55  H   UNL     1       5.592  -3.415  -1.041  1.00  0.00           H  
HETATM   56  H   UNL     1       6.147  -2.769   1.278  1.00  0.00           H  
HETATM   57  H   UNL     1       4.383  -2.901   1.072  1.00  0.00           H  
HETATM   58  H   UNL     1       6.033  -0.332   1.045  1.00  0.00           H  
HETATM   59  H   UNL     1       4.883  -0.846   2.306  1.00  0.00           H  
HETATM   60  H   UNL     1       3.443  -0.386   3.077  1.00  0.00           H  
HETATM   61  H   UNL     1       1.654  -0.964   4.402  1.00  0.00           H  
HETATM   62  H   UNL     1       4.736   2.644   4.726  1.00  0.00           H  
HETATM   63  H   UNL     1       3.128   1.916   4.952  1.00  0.00           H  
HETATM   64  H   UNL     1       4.568   0.876   4.842  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.759   4.722   1.422  1.00  0.00           H  
HETATM   66  H   UNL     1       0.683   4.164   2.301  1.00  0.00           H  
HETATM   67  H   UNL     1       0.016   3.185   0.973  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.034   2.451   6.142  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.441   1.728   6.471  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.564   3.186   5.458  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.152  -2.470   6.422  1.00  0.00           H  
HETATM   72  H   UNL     1       0.477  -2.275   4.768  1.00  0.00           H  
HETATM   73  H   UNL     1       1.144  -1.296   6.096  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.401  -4.114   4.160  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.349  -4.285   2.735  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.713  -3.552   4.227  1.00  0.00           H  
HETATM   77  H   UNL     1       1.380  -2.235  -3.230  1.00  0.00           H  
HETATM   78  H   UNL     1       1.186  -2.883  -5.596  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.040  -1.445  -7.172  1.00  0.00           H  
HETATM   80  H   UNL     1       0.371   1.050  -1.940  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.730  -0.230  -1.642  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.786  -1.704  -1.320  1.00  0.00           H  
HETATM   83  H   UNL     1       0.260  -0.604   0.639  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.683   0.869   0.317  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.076   0.922   0.703  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.704  -3.554   2.736  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.815  -2.611   1.470  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.113   0.072  -8.137  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.615  -0.810  -7.772  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.438   1.144 -10.776  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.887   1.292  -4.002  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.911   1.979   1.384  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.169   1.898   1.744  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.804   1.165   0.252  1.00  0.00           H  
HETATM   95  H   UNL     1       3.460   2.625   2.600  1.00  0.00           H  
HETATM   96  H   UNL     1       4.900   1.585   2.489  1.00  0.00           H  
HETATM   97  H   UNL     1       1.362   2.531   1.979  1.00  0.00           H  
CONECT    1    2   43   44   44                                       
CONECT    2    1    3   42   51                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3    5   54   55                                       
CONECT    5    4    6   56   57                                       
CONECT    6    5   42   58   59                                       
CONECT    7    8   42   45   45                                       
CONECT    8    7    9   46   60                                       
CONECT    9    8   10   10   47                                       
CONECT   10    9    9   11   61                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   48                                       
CONECT   13   12   14   47   47                                       
CONECT   14   13   17                                                 
CONECT   15   46   62   63   64                                       
CONECT   16   11   19                                                 
CONECT   17   14   65   66   67                                       
CONECT   18   48   68   69   70                                       
CONECT   19   16   71   72   73                                       
CONECT   20   50   74   75   76                                       
CONECT   21   22   22   24   77                                       
CONECT   22   21   21   23   78                                       
CONECT   23   22   34   34   79                                       
CONECT   24   21   25   40   40                                       
CONECT   25   24   26   43   80                                       
CONECT   26   25   27   81   82                                       
CONECT   27   26   28   83   84                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28   30   85                                       
CONECT   30   29   31   31   49                                       
CONECT   31   30   30   32   50                                       
CONECT   32   31   33   33   86                                       
CONECT   33   28   32   32   87                                       
CONECT   34   23   23   35   40                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   88   89                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   90                                                 
CONECT   40   24   24   34   91                                       
CONECT   41   49   92   93   94                                       
CONECT   42    2    6    7                                            
CONECT   43    1   25                                                 
CONECT   44    1    1                                                 
CONECT   45    7    7                                                 
CONECT   46    8   15   95   96                                       
CONECT   47    9   13   13   97                                       
CONECT   48   12   18                                                 
CONECT   49   30   41                                                 
CONECT   50   20   31                                                 
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
