COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.443  -0.961  -1.209  1.00  0.00           C  
HETATM    2  C   UNL     1       8.175  -0.802  -2.484  1.00  0.00           C  
HETATM    3  C   UNL     1       8.355   0.147  -4.675  1.00  0.00           C  
HETATM    4  C   UNL     1       9.536  -0.504  -4.857  1.00  0.00           C  
HETATM    5  C   UNL     1      10.048  -1.318  -3.822  1.00  0.00           C  
HETATM    6  C   UNL     1       7.662  -0.006  -3.464  1.00  0.00           C  
HETATM    7  C   UNL     1       5.538  -0.491   0.237  1.00  0.00           C  
HETATM    8  C   UNL     1       4.246   0.326   0.188  1.00  0.00           C  
HETATM    9  C   UNL     1       3.485   0.157   1.504  1.00  0.00           C  
HETATM   10  C   UNL     1       2.217   2.184   1.974  1.00  0.00           C  
HETATM   11  C   UNL     1       1.043   0.370   0.849  1.00  0.00           C  
HETATM   12  C   UNL     1       0.233  -0.370   1.916  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.835  -1.704   2.347  1.00  0.00           C  
HETATM   14  C   UNL     1       4.267   3.500   1.644  1.00  0.00           C  
HETATM   15  C   UNL     1       5.446   4.087   2.129  1.00  0.00           C  
HETATM   16  C   UNL     1       5.771   3.946   3.444  1.00  0.00           C  
HETATM   17  C   UNL     1       4.918   3.212   4.297  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.954  -4.121   1.152  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.981  -3.472   1.123  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.167  -3.997   0.413  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.364  -3.683  -0.899  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.490  -4.180  -1.576  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.374  -4.972  -0.911  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.146  -5.282   0.448  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.933  -5.991   1.051  1.00  0.00           O  
HETATM   26  N   UNL     1      -5.057  -4.799   1.076  1.00  0.00           N  
HETATM   27  O   UNL     1      -4.833  -5.119   2.437  1.00  0.00           O  
HETATM   28  N   UNL     1      -3.039  -2.274   1.738  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.307  -1.542   1.798  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.429  -0.633   0.573  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.752   0.132   0.636  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.869   1.003  -0.537  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.961   1.777  -0.695  1.00  0.00           C  
HETATM   34  O   UNL     1      -7.849   1.752   0.134  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.078   2.656  -1.879  1.00  0.00           C  
HETATM   36  N   UNL     1      -8.188   3.444  -2.032  1.00  0.00           N  
HETATM   37  O   UNL     1      -9.212   3.411  -1.056  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.312   4.251  -3.103  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.305   4.949  -3.228  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.294   4.291  -4.082  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.190   3.509  -3.933  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.080   2.680  -2.806  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.025  -0.965   1.280  1.00  0.00           C  
HETATM   44  N   UNL     1       2.247   0.939   1.457  1.00  0.00           N  
HETATM   45  O   UNL     1       1.169   2.799   2.017  1.00  0.00           O  
HETATM   46  C   UNL     1       3.458   2.801   2.489  1.00  0.00           C  
HETATM   47  N   UNL     1       3.792   2.657   3.810  1.00  0.00           N  
HETATM   48  O   UNL     1       2.945   1.918   4.671  1.00  0.00           O  
HETATM   49  O   UNL     1       5.201   3.081   5.475  1.00  0.00           O  
HETATM   50  N   UNL     1       6.267  -0.329  -1.024  1.00  0.00           N  
HETATM   51  O   UNL     1       7.898  -1.666  -0.330  1.00  0.00           O  
HETATM   52  N   UNL     1       9.366  -1.451  -2.668  1.00  0.00           N  
HETATM   53  O   UNL     1      11.105  -1.906  -3.977  1.00  0.00           O  
HETATM   54  O   UNL     1       9.887  -2.270  -1.637  1.00  0.00           O  
HETATM   55  H   UNL     1       7.952   0.773  -5.458  1.00  0.00           H  
HETATM   56  H   UNL     1      10.078  -0.400  -5.786  1.00  0.00           H  
HETATM   57  H   UNL     1       6.724   0.506  -3.309  1.00  0.00           H  
HETATM   58  H   UNL     1       6.158  -0.141   1.062  1.00  0.00           H  
HETATM   59  H   UNL     1       5.297  -1.544   0.384  1.00  0.00           H  
HETATM   60  H   UNL     1       4.487   1.379   0.041  1.00  0.00           H  
HETATM   61  H   UNL     1       3.626  -0.023  -0.638  1.00  0.00           H  
HETATM   62  H   UNL     1       3.244  -0.896   1.652  1.00  0.00           H  
HETATM   63  H   UNL     1       4.105   0.507   2.330  1.00  0.00           H  
HETATM   64  H   UNL     1       1.329  -0.328   0.061  1.00  0.00           H  
HETATM   65  H   UNL     1       0.438   1.170   0.423  1.00  0.00           H  
HETATM   66  H   UNL     1       0.838  -1.170   2.342  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.053   0.328   2.703  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.121  -1.007   3.134  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.230  -2.504   2.773  1.00  0.00           H  
HETATM   70  H   UNL     1       3.999   3.605   0.603  1.00  0.00           H  
HETATM   71  H   UNL     1       6.090   4.646   1.466  1.00  0.00           H  
HETATM   72  H   UNL     1       6.675   4.392   3.831  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.656  -3.053  -1.416  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.652  -3.935  -2.615  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.244  -5.361  -1.419  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.511  -5.690   2.824  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.135  -2.250   1.808  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.335  -0.937   2.704  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.600   0.076   0.563  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.401  -1.238  -0.333  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.581  -0.576   0.646  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.780   0.737   1.542  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.160   1.022  -1.199  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.956   4.000  -1.246  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.392   4.937  -4.942  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.405   3.530  -4.674  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.206   2.058  -2.675  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.630  -0.165   0.854  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.739  -1.663   0.493  1.00  0.00           H  
HETATM   90  H   UNL     1       3.259   1.868   5.584  1.00  0.00           H  
HETATM   91  H   UNL     1       5.903   0.234  -1.725  1.00  0.00           H  
HETATM   92  H   UNL     1      10.731  -2.688  -1.855  1.00  0.00           H  
CONECT    1   50   51   51    2                                       
CONECT    2    1   52    6    6                                       
CONECT    3    6    4    4   55                                       
CONECT    4    5    3    3   56                                       
CONECT    5   52   53   53    4                                       
CONECT    6    2    2    3   57                                       
CONECT    7    8   50   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   44    8   62   63                                       
CONECT   10   44   45   45   46                                       
CONECT   11   12   44   64   65                                       
CONECT   12   11   43   66   67                                       
CONECT   13   43   28   68   69                                       
CONECT   14   46   46   15   70                                       
CONECT   15   14   16   16   71                                       
CONECT   16   15   15   17   72                                       
CONECT   17   47   16   49   49                                       
CONECT   18   19   19                                                 
CONECT   19   18   18   28   20                                       
CONECT   20   19   21   21   26                                       
CONECT   21   20   20   22   73                                       
CONECT   22   21   23   23   74                                       
CONECT   23   22   22   24   75                                       
CONECT   24   26   23   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   20   27   24                                            
CONECT   27   26   76                                                 
CONECT   28   13   19   29                                            
CONECT   29   28   30   77   78                                       
CONECT   30   29   31   79   80                                       
CONECT   31   30   32   81   82                                       
CONECT   32   31   33   83                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   42   42                                       
CONECT   36   37   35   38                                            
CONECT   37   36   84                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   41   85                                       
CONECT   41   42   40   40   86                                       
CONECT   42   35   35   41   87                                       
CONECT   43   12   13   88   89                                       
CONECT   44   11    9   10                                            
CONECT   45   10   10                                                 
CONECT   46   10   14   14   47                                       
CONECT   47   46   48   17                                            
CONECT   48   47   90                                                 
CONECT   49   17   17                                                 
CONECT   50    7    1   91                                            
CONECT   51    1    1                                                 
CONECT   52   54    2    5                                            
CONECT   53    5    5                                                 
CONECT   54   52   92                                                 
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   37                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   48                                                      
CONECT   91   50                                                      
CONECT   92   54                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
