COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.573  -3.299  -0.960  1.00  0.00           C  
HETATM    2  C   UNL     1       6.360  -2.475  -0.523  1.00  0.00           C  
HETATM    3  C   UNL     1       5.399  -2.316  -1.704  1.00  0.00           C  
HETATM    4  C   UNL     1       6.823  -1.095  -0.053  1.00  0.00           C  
HETATM    5  C   UNL     1       5.645  -0.328   0.491  1.00  0.00           C  
HETATM    6  C   UNL     1       3.725   1.061   0.240  1.00  0.00           C  
HETATM    7  O   UNL     1       4.769   0.243  -0.351  1.00  0.00           O  
HETATM    8  O   UNL     1       2.533   0.539  -1.730  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.723   2.889   0.540  1.00  0.00           O  
HETATM   10  O   UNL     1      -6.937   1.370  -1.133  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.877  -0.880   1.513  1.00  0.00           O  
HETATM   12  O   UNL     1      -8.961  -3.119   1.058  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.002  -1.118   1.116  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.773  -2.226   1.522  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.971  -2.216   0.911  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.718  -4.220   1.972  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.985  -0.990   0.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.152  -1.387  -1.444  1.00  0.00           C  
HETATM   19  N   UNL     1      -6.676  -0.355   0.236  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.232   0.776  -0.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.857   1.301  -0.022  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.602   2.586  -0.813  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.206   3.119  -0.483  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.998   4.467  -1.176  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.196   2.167  -0.953  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.981   2.133  -0.372  1.00  0.00           C  
HETATM   27  C   UNL     1       0.058   1.154  -0.856  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.470  -0.273  -0.693  1.00  0.00           C  
HETATM   29  C   UNL     1       0.531  -1.259  -1.297  1.00  0.00           C  
HETATM   30  C   UNL     1       0.064  -2.691  -1.025  1.00  0.00           C  
HETATM   31  C   UNL     1       0.623  -1.032  -2.807  1.00  0.00           C  
HETATM   32  N   UNL     1       1.283   1.314  -0.069  1.00  0.00           N  
HETATM   33  C   UNL     1       2.472   0.952  -0.591  1.00  0.00           C  
HETATM   34  C   UNL     1       4.183   2.520   0.283  1.00  0.00           C  
HETATM   35  C   UNL     1       3.138   3.360   1.021  1.00  0.00           C  
HETATM   36  C   UNL     1       3.093   2.942   2.492  1.00  0.00           C  
HETATM   37  C   UNL     1       3.513   4.840   0.923  1.00  0.00           C  
HETATM   38  O   UNL     1       5.489  -0.228   1.685  1.00  0.00           O  
HETATM   39  N   UNL     1       7.834  -1.251   1.001  1.00  0.00           N  
HETATM   40  C   UNL     1       8.259   0.056   1.521  1.00  0.00           C  
HETATM   41  C   UNL     1       7.339  -2.112   2.083  1.00  0.00           C  
HETATM   42  C   UNL     1       7.126  -4.720  -1.309  1.00  0.00           C  
HETATM   43  H   UNL     1       8.030  -2.836  -1.835  1.00  0.00           H  
HETATM   44  H   UNL     1       8.299  -3.335  -0.148  1.00  0.00           H  
HETATM   45  H   UNL     1       5.850  -2.985   0.294  1.00  0.00           H  
HETATM   46  H   UNL     1       5.070  -3.299  -2.039  1.00  0.00           H  
HETATM   47  H   UNL     1       4.535  -1.729  -1.392  1.00  0.00           H  
HETATM   48  H   UNL     1       5.910  -1.806  -2.521  1.00  0.00           H  
HETATM   49  H   UNL     1       7.254  -0.550  -0.893  1.00  0.00           H  
HETATM   50  H   UNL     1       3.520   0.713   1.253  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.447  -2.978   2.226  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.852  -4.789   1.634  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.527  -3.828   2.971  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.592  -4.871   1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.787  -0.318   0.329  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.367  -2.090  -1.722  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.126  -1.856  -1.586  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.083  -0.498  -2.071  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.792   1.512   1.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.110   0.554  -0.291  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.667   2.374  -1.880  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.349   3.332  -0.544  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.111   3.246   0.595  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.750   5.175  -0.826  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.004   4.847  -0.941  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.093   4.340  -2.255  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.402   1.562  -1.683  1.00  0.00           H  
HETATM   68  H   UNL     1       0.274   1.344  -1.907  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.602  -0.493   0.367  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.428  -0.366  -1.206  1.00  0.00           H  
HETATM   71  H   UNL     1       1.511  -1.105  -0.846  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.916  -2.845  -1.476  1.00  0.00           H  
HETATM   73  H   UNL     1       0.777  -3.394  -1.456  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.002  -2.853   0.051  1.00  0.00           H  
HETATM   75  H   UNL     1       1.336  -1.735  -3.238  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.357  -1.186  -3.259  1.00  0.00           H  
HETATM   77  H   UNL     1       0.955  -0.012  -3.002  1.00  0.00           H  
HETATM   78  H   UNL     1       1.239   1.680   0.828  1.00  0.00           H  
HETATM   79  H   UNL     1       5.137   2.585   0.806  1.00  0.00           H  
HETATM   80  H   UNL     1       4.299   2.895  -0.734  1.00  0.00           H  
HETATM   81  H   UNL     1       2.159   3.202   0.568  1.00  0.00           H  
HETATM   82  H   UNL     1       2.309   3.499   3.004  1.00  0.00           H  
HETATM   83  H   UNL     1       2.884   1.874   2.560  1.00  0.00           H  
HETATM   84  H   UNL     1       4.055   3.154   2.960  1.00  0.00           H  
HETATM   85  H   UNL     1       3.545   5.138  -0.125  1.00  0.00           H  
HETATM   86  H   UNL     1       2.769   5.439   1.448  1.00  0.00           H  
HETATM   87  H   UNL     1       4.492   4.998   1.376  1.00  0.00           H  
HETATM   88  H   UNL     1       7.419   0.539   2.019  1.00  0.00           H  
HETATM   89  H   UNL     1       9.073  -0.083   2.233  1.00  0.00           H  
HETATM   90  H   UNL     1       8.600   0.682   0.696  1.00  0.00           H  
HETATM   91  H   UNL     1       6.919  -3.024   1.658  1.00  0.00           H  
HETATM   92  H   UNL     1       8.163  -2.368   2.750  1.00  0.00           H  
HETATM   93  H   UNL     1       6.568  -1.584   2.644  1.00  0.00           H  
HETATM   94  H   UNL     1       7.990  -5.306  -1.620  1.00  0.00           H  
HETATM   95  H   UNL     1       6.669  -5.182  -0.434  1.00  0.00           H  
HETATM   96  H   UNL     1       6.400  -4.683  -2.121  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    4    3    1   45                                       
CONECT    3    2   46   47   48                                       
CONECT    4    5   39    2   49                                       
CONECT    5    7   38   38    4                                       
CONECT    6   34   33    7   50                                       
CONECT    7    6    5                                                 
CONECT    8   33   33                                                 
CONECT    9   26   26                                                 
CONECT   10   20   20                                                 
CONECT   11   13   13                                                 
CONECT   12   16   15                                                 
CONECT   13   19   11   11   14                                       
CONECT   14   15   15   13   51                                       
CONECT   15   17   12   14   14                                       
CONECT   16   12   52   53   54                                       
CONECT   17   18   19   15   55                                       
CONECT   18   17   56   57   58                                       
CONECT   19   20   17   13                                            
CONECT   20   10   10   21   19                                       
CONECT   21   22   20   59   60                                       
CONECT   22   23   21   61   62                                       
CONECT   23   22   24   25   63                                       
CONECT   24   23   64   65   66                                       
CONECT   25   23   26   67                                            
CONECT   26    9    9   25   27                                       
CONECT   27   26   28   32   68                                       
CONECT   28   27   29   69   70                                       
CONECT   29   30   28   31   71                                       
CONECT   30   29   72   73   74                                       
CONECT   31   29   75   76   77                                       
CONECT   32   27   33   78                                            
CONECT   33   32    6    8    8                                       
CONECT   34   35    6   79   80                                       
CONECT   35   37   36   34   81                                       
CONECT   36   35   82   83   84                                       
CONECT   37   35   85   86   87                                       
CONECT   38    5    5                                                 
CONECT   39   40    4   41                                            
CONECT   40   39   88   89   90                                       
CONECT   41   39   91   92   93                                       
CONECT   42    1   94   95   96                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   37                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
