COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.012   1.265   1.106  1.00  0.00           C  
HETATM    2  O   UNL     1       5.950   1.867   2.160  1.00  0.00           O  
HETATM    3  N   UNL     1       7.372   0.142  -0.548  1.00  0.00           N  
HETATM    4  C   UNL     1       7.322   0.794   0.597  1.00  0.00           C  
HETATM    5  C   UNL     1       8.481   1.053   1.345  1.00  0.00           C  
HETATM    6  C   UNL     1       9.694   0.626   0.887  1.00  0.00           C  
HETATM    7  C   UNL     1      10.949  -0.539  -0.866  1.00  0.00           C  
HETATM    8  C   UNL     1      10.952  -1.208  -2.052  1.00  0.00           C  
HETATM    9  C   UNL     1       9.767  -1.435  -2.749  1.00  0.00           C  
HETATM   10  C   UNL     1       8.573  -0.996  -2.266  1.00  0.00           C  
HETATM   11  C   UNL     1       9.737  -0.070  -0.336  1.00  0.00           C  
HETATM   12  C   UNL     1       8.528  -0.299  -1.044  1.00  0.00           C  
HETATM   13  N   UNL     1       4.888   1.020   0.403  1.00  0.00           N  
HETATM   14  C   UNL     1       3.592   1.479   0.909  1.00  0.00           C  
HETATM   15  C   UNL     1       2.497   0.613   0.343  1.00  0.00           C  
HETATM   16  O   UNL     1       2.736  -0.147  -0.571  1.00  0.00           O  
HETATM   17  C   UNL     1       3.366   2.932   0.486  1.00  0.00           C  
HETATM   18  O   UNL     1       3.418   3.026  -0.939  1.00  0.00           O  
HETATM   19  C   UNL     1       4.454   3.817   1.096  1.00  0.00           C  
HETATM   20  N   UNL     1       1.251   0.685   0.852  1.00  0.00           N  
HETATM   21  C   UNL     1       0.214  -0.239   0.384  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.164   0.391   0.596  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.404   0.552   1.995  1.00  0.00           O  
HETATM   24  C   UNL     1       0.303  -1.547   1.173  1.00  0.00           C  
HETATM   25  C   UNL     1       1.612  -2.229   0.868  1.00  0.00           C  
HETATM   26  C   UNL     1       2.728  -1.959   1.638  1.00  0.00           C  
HETATM   27  C   UNL     1       1.695  -3.129  -0.178  1.00  0.00           C  
HETATM   28  C   UNL     1       3.929  -2.584   1.358  1.00  0.00           C  
HETATM   29  C   UNL     1       2.896  -3.755  -0.457  1.00  0.00           C  
HETATM   30  C   UNL     1       4.013  -3.480   0.309  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.238  -0.517  -0.005  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.544   0.140   0.091  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.646  -0.478  -0.379  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.572  -1.613  -0.798  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.970   0.242  -0.382  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.035   1.184  -1.585  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.730   0.400  -2.864  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.436   1.791  -1.681  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.005   2.302  -1.415  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.105  -0.780  -0.471  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.384  -0.154   0.024  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.360   0.939   0.549  1.00  0.00           O  
HETATM   43  N   UNL     1      -9.553  -0.809  -0.117  1.00  0.00           N  
HETATM   44  C   UNL     1     -10.776  -0.259   0.472  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.643   0.352  -0.631  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.952   1.596  -1.192  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.553  -1.377   1.171  1.00  0.00           C  
HETATM   48  C   UNL     1     -10.737  -1.904   2.352  1.00  0.00           C  
HETATM   49  H   UNL     1       8.413   1.590   2.280  1.00  0.00           H  
HETATM   50  H   UNL     1      10.597   0.816   1.449  1.00  0.00           H  
HETATM   51  H   UNL     1      11.875  -0.369  -0.336  1.00  0.00           H  
HETATM   52  H   UNL     1      11.886  -1.567  -2.458  1.00  0.00           H  
HETATM   53  H   UNL     1       9.797  -1.968  -3.688  1.00  0.00           H  
HETATM   54  H   UNL     1       7.664  -1.180  -2.820  1.00  0.00           H  
HETATM   55  H   UNL     1       4.938   0.539  -0.438  1.00  0.00           H  
HETATM   56  H   UNL     1       3.583   1.412   1.997  1.00  0.00           H  
HETATM   57  H   UNL     1       2.388   3.264   0.836  1.00  0.00           H  
HETATM   58  H   UNL     1       2.754   2.489  -1.394  1.00  0.00           H  
HETATM   59  H   UNL     1       5.430   3.493   0.735  1.00  0.00           H  
HETATM   60  H   UNL     1       4.285   4.853   0.804  1.00  0.00           H  
HETATM   61  H   UNL     1       4.422   3.735   2.182  1.00  0.00           H  
HETATM   62  H   UNL     1       1.040   1.348   1.528  1.00  0.00           H  
HETATM   63  H   UNL     1       0.361  -0.443  -0.676  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.197   1.365   0.107  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.390  -0.276   2.494  1.00  0.00           H  
HETATM   66  H   UNL     1       0.245  -1.333   2.240  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.522  -2.200   0.887  1.00  0.00           H  
HETATM   68  H   UNL     1       2.662  -1.258   2.457  1.00  0.00           H  
HETATM   69  H   UNL     1       0.822  -3.344  -0.776  1.00  0.00           H  
HETATM   70  H   UNL     1       4.801  -2.372   1.959  1.00  0.00           H  
HETATM   71  H   UNL     1       2.961  -4.458  -1.274  1.00  0.00           H  
HETATM   72  H   UNL     1       4.951  -3.969   0.091  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.005  -0.712  -1.052  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.265  -1.460   0.542  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.615   1.020   0.492  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.071   0.819   0.538  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.464  -0.396  -2.985  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.777   1.071  -3.721  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.732  -0.033  -2.795  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.676   2.301  -0.748  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.467   2.506  -2.504  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.164   1.000  -1.860  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.001   1.886  -1.495  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.151   3.052  -2.192  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.130   2.765  -0.436  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.231  -1.093  -1.507  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.863  -1.647   0.144  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.585  -1.645  -0.609  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.516   0.511   1.198  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.783  -0.377  -1.429  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.613   0.630  -0.218  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.555   2.015  -1.998  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.839   2.337  -0.400  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.969   1.324  -1.577  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.505  -0.987   1.532  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.737  -2.188   0.465  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.785  -2.294   1.991  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.553  -1.094   3.057  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.290  -2.701   2.850  1.00  0.00           H  
CONECT    1    2    2    4   13                                       
CONECT    2    1    1                                                 
CONECT    3    4    4   12                                            
CONECT    4    1    3    3    5                                       
CONECT    5    4    6    6   49                                       
CONECT    6    5    5   11   50                                       
CONECT    7   11   11    8   51                                       
CONECT    8    7    9    9   52                                       
CONECT    9    8    8   10   53                                       
CONECT   10    9   12   12   54                                       
CONECT   11    6    7    7   12                                       
CONECT   12    3   11   10   10                                       
CONECT   13   14   55    1                                            
CONECT   14   13   15   17   56                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   19   57                                       
CONECT   18   17   58                                                 
CONECT   19   17   59   60   61                                       
CONECT   20   21   62   15                                            
CONECT   21   20   22   24   63                                       
CONECT   22   21   23   31   64                                       
CONECT   23   22   65                                                 
CONECT   24   21   25   66   67                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   28   68                                       
CONECT   27   25   29   29   69                                       
CONECT   28   26   30   30   70                                       
CONECT   29   27   27   30   71                                       
CONECT   30   28   28   29   72                                       
CONECT   31   22   73   74   32                                       
CONECT   32   33   75   31                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   40   76                                       
CONECT   36   35   37   38   39                                       
CONECT   37   36   77   78   79                                       
CONECT   38   36   80   81   82                                       
CONECT   39   36   83   84   85                                       
CONECT   40   35   41   86   87                                       
CONECT   41   40   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   41   44   88                                            
CONECT   44   43   45   47   89                                       
CONECT   45   44   46   90   91                                       
CONECT   46   45   92   93   94                                       
CONECT   47   44   48   95   96                                       
CONECT   48   47   97   98   99                                       
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   43                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
