COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.537   1.161  -1.844  1.00  0.00           C  
HETATM    2  C   UNL     1       7.160   0.238  -0.884  1.00  0.00           C  
HETATM    3  C   UNL     1       7.963   1.615   0.899  1.00  0.00           C  
HETATM    4  C   UNL     1       7.641   2.843   0.157  1.00  0.00           C  
HETATM    5  C   UNL     1       8.195   3.999   0.513  1.00  0.00           C  
HETATM    6  C   UNL     1       7.865   5.258  -0.248  1.00  0.00           C  
HETATM    7  C   UNL     1       7.010   7.517   0.216  1.00  0.00           C  
HETATM    8  C   UNL     1       7.352  -0.659   1.357  1.00  0.00           C  
HETATM    9  C   UNL     1       6.630  -1.770   0.975  1.00  0.00           C  
HETATM   10  C   UNL     1       7.062  -2.753   3.074  1.00  0.00           C  
HETATM   11  C   UNL     1       7.931  -0.623   2.637  1.00  0.00           C  
HETATM   12  C   UNL     1       6.434  -0.896  -1.252  1.00  0.00           C  
HETATM   13  C   UNL     1       6.093  -1.094  -2.579  1.00  0.00           C  
HETATM   14  C   UNL     1       6.474  -0.167  -3.534  1.00  0.00           C  
HETATM   15  C   UNL     1       7.192   0.955  -3.169  1.00  0.00           C  
HETATM   16  C   UNL     1       7.596   1.962  -4.215  1.00  0.00           C  
HETATM   17  C   UNL     1       6.104  -0.384  -4.979  1.00  0.00           C  
HETATM   18  C   UNL     1       5.052  -2.848  -0.577  1.00  0.00           C  
HETATM   19  C   UNL     1       3.659  -2.312  -0.240  1.00  0.00           C  
HETATM   20  C   UNL     1       2.611  -3.381  -0.558  1.00  0.00           C  
HETATM   21  C   UNL     1       1.218  -2.845  -0.222  1.00  0.00           C  
HETATM   22  C   UNL     1       0.170  -3.914  -0.540  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.590  -2.205   0.004  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.062  -1.040   0.877  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.580   1.196   0.869  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.383   2.457  -1.308  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.973   4.458  -0.715  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.037   3.647   0.430  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.734   5.462   1.655  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.312   5.816  -0.586  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.954   0.493   0.942  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.605  -1.012   0.947  1.00  0.00           C  
HETATM   33  N   UNL     1       7.502   0.425   0.465  1.00  0.00           N  
HETATM   34  N   UNL     1       7.375   6.277   0.684  1.00  0.00           N  
HETATM   35  N   UNL     1       6.550   8.474   1.091  1.00  0.00           N  
HETATM   36  N   UNL     1       7.099   7.786  -1.056  1.00  0.00           N  
HETATM   37  N   UNL     1       6.495  -2.816   1.855  1.00  0.00           N  
HETATM   38  N   UNL     1       7.769  -1.677   3.463  1.00  0.00           N  
HETATM   39  N   UNL     1       6.055  -1.824  -0.272  1.00  0.00           N  
HETATM   40  N   UNL     1      -8.663   2.391   0.025  1.00  0.00           N  
HETATM   41  N   UNL     1      -8.563   3.672  -1.739  1.00  0.00           N  
HETATM   42  N   UNL     1      -9.419   4.186   1.583  1.00  0.00           N  
HETATM   43  N   UNL     1      -9.684   6.265   0.608  1.00  0.00           N  
HETATM   44  N   UNL     1      -9.259   6.666  -1.677  1.00  0.00           N  
HETATM   45  O   UNL     1       8.645   1.673   1.905  1.00  0.00           O  
HETATM   46  O   UNL     1       6.932  -3.689   3.840  1.00  0.00           O  
HETATM   47  O   UNL     1       8.573   0.349   2.996  1.00  0.00           O  
HETATM   48  O   UNL     1       3.597  -1.983   1.149  1.00  0.00           O  
HETATM   49  O   UNL     1       2.672  -3.710  -1.947  1.00  0.00           O  
HETATM   50  O   UNL     1       1.157  -2.516   1.167  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.137  -3.375  -0.336  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.483  -4.771  -1.952  1.00  0.00           O  
HETATM   53  O   UNL     1      -2.550  -5.436   0.482  1.00  0.00           O  
HETATM   54  O   UNL     1      -3.764  -3.269  -0.380  1.00  0.00           O  
HETATM   55  O   UNL     1      -5.510  -3.168  -2.342  1.00  0.00           O  
HETATM   56  O   UNL     1      -5.812  -4.744  -0.394  1.00  0.00           O  
HETATM   57  O   UNL     1      -6.164  -2.284   0.046  1.00  0.00           O  
HETATM   58  O   UNL     1      -7.697   0.220   0.274  1.00  0.00           O  
HETATM   59  O   UNL     1     -10.638   0.853   2.144  1.00  0.00           O  
HETATM   60  O   UNL     1     -10.063  -1.628   2.153  1.00  0.00           O  
HETATM   61  P   UNL     1      -2.483  -4.225  -0.577  1.00  0.00           P  
HETATM   62  P   UNL     1      -5.323  -3.396  -0.760  1.00  0.00           P  
HETATM   63  H   UNL     1       8.094   2.041  -1.559  1.00  0.00           H  
HETATM   64  H   UNL     1       6.955   2.807  -0.676  1.00  0.00           H  
HETATM   65  H   UNL     1       8.881   4.036   1.346  1.00  0.00           H  
HETATM   66  H   UNL     1       8.761   5.625  -0.749  1.00  0.00           H  
HETATM   67  H   UNL     1       7.096   5.044  -0.989  1.00  0.00           H  
HETATM   68  H   UNL     1       5.532  -1.970  -2.869  1.00  0.00           H  
HETATM   69  H   UNL     1       8.574   1.696  -4.617  1.00  0.00           H  
HETATM   70  H   UNL     1       6.861   1.965  -5.019  1.00  0.00           H  
HETATM   71  H   UNL     1       7.646   2.954  -3.765  1.00  0.00           H  
HETATM   72  H   UNL     1       5.137   0.078  -5.179  1.00  0.00           H  
HETATM   73  H   UNL     1       6.862   0.068  -5.620  1.00  0.00           H  
HETATM   74  H   UNL     1       6.046  -1.453  -5.183  1.00  0.00           H  
HETATM   75  H   UNL     1       5.251  -3.740   0.017  1.00  0.00           H  
HETATM   76  H   UNL     1       5.099  -3.099  -1.636  1.00  0.00           H  
HETATM   77  H   UNL     1       3.459  -1.420  -0.834  1.00  0.00           H  
HETATM   78  H   UNL     1       2.811  -4.273   0.036  1.00  0.00           H  
HETATM   79  H   UNL     1       1.018  -1.953  -0.816  1.00  0.00           H  
HETATM   80  H   UNL     1       0.276  -4.229  -1.578  1.00  0.00           H  
HETATM   81  H   UNL     1       0.316  -4.772   0.117  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.017  -3.135   0.378  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.915  -2.043  -1.024  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.639  -1.121   1.878  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.237   1.462   1.868  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.057   1.626  -1.915  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.042   5.868   2.608  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.558   0.744   0.070  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.036  -1.507   0.077  1.00  0.00           H  
HETATM   90  H   UNL     1       7.309   6.077   1.631  1.00  0.00           H  
HETATM   91  H   UNL     1       6.484   8.273   2.038  1.00  0.00           H  
HETATM   92  H   UNL     1       6.292   9.349   0.761  1.00  0.00           H  
HETATM   93  H   UNL     1       7.424   7.112  -1.673  1.00  0.00           H  
HETATM   94  H   UNL     1       5.988  -3.602   1.597  1.00  0.00           H  
HETATM   95  H   UNL     1       8.167  -1.659   4.347  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.985   6.327  -2.543  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.495   7.601  -1.575  1.00  0.00           H  
HETATM   98  H   UNL     1       3.765  -2.731   1.738  1.00  0.00           H  
HETATM   99  H   UNL     1       2.505  -2.962  -2.536  1.00  0.00           H  
HETATM  100  H   UNL     1       1.325  -3.265   1.757  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.553  -5.151   1.406  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.210  -2.302  -2.653  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.506   0.440   2.241  1.00  0.00           H  
HETATM  104  H   UNL     1     -11.025  -1.638   2.249  1.00  0.00           H  
CONECT    1    2    2   15   63                                       
CONECT    2   33    1    1   12                                       
CONECT    3    4   33   45   45                                       
CONECT    4    5    5    3   64                                       
CONECT    5    6    4    4   65                                       
CONECT    6   34    5   66   67                                       
CONECT    7   36   36   35   34                                       
CONECT    8   11    9    9   33                                       
CONECT    9    8    8   37   39                                       
CONECT   10   38   46   46   37                                       
CONECT   11   47   47   38    8                                       
CONECT   12    2   39   13   13                                       
CONECT   13   12   12   14   68                                       
CONECT   14   15   15   13   17                                       
CONECT   15    1   16   14   14                                       
CONECT   16   15   69   70   71                                       
CONECT   17   14   72   73   74                                       
CONECT   18   39   19   75   76                                       
CONECT   19   48   18   20   77                                       
CONECT   20   19   21   49   78                                       
CONECT   21   50   20   22   79                                       
CONECT   22   21   51   80   81                                       
CONECT   23   57   24   82   83                                       
CONECT   24   23   32   58   84                                       
CONECT   25   58   31   40   85                                       
CONECT   26   40   41   41   86                                       
CONECT   27   28   28   41   30                                       
CONECT   28   42   40   27   27                                       
CONECT   29   42   42   43   87                                       
CONECT   30   43   43   27   44                                       
CONECT   31   32   25   59   88                                       
CONECT   32   60   24   31   89                                       
CONECT   33    8    3    2                                            
CONECT   34    6    7   90                                            
CONECT   35    7   91   92                                            
CONECT   36    7    7   93                                            
CONECT   37   10    9   94                                            
CONECT   38   11   10   95                                            
CONECT   39    9   12   18                                            
CONECT   40   25   28   26                                            
CONECT   41   26   26   27                                            
CONECT   42   29   29   28                                            
CONECT   43   29   30   30                                            
CONECT   44   30   96   97                                            
CONECT   45    3    3                                                 
CONECT   46   10   10                                                 
CONECT   47   11   11                                                 
CONECT   48   19   98                                                 
CONECT   49   20   99                                                 
CONECT   50   21  100                                                 
CONECT   51   22   61                                                 
CONECT   52   61   61                                                 
CONECT   53   61  101                                                 
CONECT   54   61   62                                                 
CONECT   55   62  102                                                 
CONECT   56   62   62                                                 
CONECT   57   62   23                                                 
CONECT   58   24   25                                                 
CONECT   59   31  103                                                 
CONECT   60   32  104                                                 
CONECT   61   51   52   52   54                                       
CONECT   61   53                                                      
CONECT   62   56   56   57   54                                       
CONECT   62   55                                                      
CONECT   63    1                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68   13                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   48                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   53                                                      
CONECT  102   55                                                      
CONECT  103   59                                                      
CONECT  104   60                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
