COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.152   0.065  -2.147  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.051  -0.429  -2.092  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.253  -0.412  -3.171  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.571  -1.058  -0.810  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.411  -0.539   0.359  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.923  -1.178   1.661  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.065  -2.698   1.567  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.225  -3.218   0.398  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.880  -0.901   0.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.022  -2.421   0.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.534  -3.060   1.340  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.182  -2.941  -1.131  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.713  -2.579  -0.904  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.164  -0.711  -0.592  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.799   0.581  -0.477  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.636   1.459  -0.554  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.380   0.930  -0.258  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.863   2.233  -0.122  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.381   0.075  -0.152  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.200   0.799   0.056  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.517   2.129   0.066  1.00  0.00           C  
HETATM   22  C   UNL     1       0.428   3.251   0.255  1.00  0.00           C  
HETATM   23  C   UNL     1       0.438   4.321  -0.647  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.420   4.334  -1.700  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.353   5.458  -2.578  1.00  0.00           C  
HETATM   26  C   UNL     1       1.326   5.368  -0.462  1.00  0.00           C  
HETATM   27  C   UNL     1       2.201   5.357   0.609  1.00  0.00           C  
HETATM   28  C   UNL     1       2.198   4.304   1.504  1.00  0.00           C  
HETATM   29  C   UNL     1       1.312   3.251   1.339  1.00  0.00           C  
HETATM   30  O   UNL     1       1.311   2.217   2.220  1.00  0.00           O  
HETATM   31  C   UNL     1       2.327   2.220   3.224  1.00  0.00           C  
HETATM   32  C   UNL     1       1.078   0.257   0.218  1.00  0.00           C  
HETATM   33  C   UNL     1       2.145   0.764  -0.516  1.00  0.00           C  
HETATM   34  C   UNL     1       3.405   0.233  -0.359  1.00  0.00           C  
HETATM   35  C   UNL     1       3.612  -0.817   0.540  1.00  0.00           C  
HETATM   36  C   UNL     1       2.538  -1.324   1.276  1.00  0.00           C  
HETATM   37  C   UNL     1       1.281  -0.784   1.118  1.00  0.00           C  
HETATM   38  C   UNL     1       0.122  -1.330   1.911  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.075  -2.809   1.574  1.00  0.00           C  
HETATM   40  C   UNL     1       0.412  -1.181   3.406  1.00  0.00           C  
HETATM   41  C   UNL     1       4.963  -1.390   0.711  1.00  0.00           C  
HETATM   42  O   UNL     1       5.094  -2.571   0.966  1.00  0.00           O  
HETATM   43  N   UNL     1       6.049  -0.603   0.585  1.00  0.00           N  
HETATM   44  C   UNL     1       5.890   0.842   0.401  1.00  0.00           C  
HETATM   45  C   UNL     1       7.390  -1.192   0.631  1.00  0.00           C  
HETATM   46  C   UNL     1       7.824  -1.582  -0.783  1.00  0.00           C  
HETATM   47  C   UNL     1       9.224  -2.198  -0.735  1.00  0.00           C  
HETATM   48  N   UNL     1       9.641  -2.572  -2.093  1.00  0.00           N  
HETATM   49  C   UNL     1      11.062  -2.945  -2.123  1.00  0.00           C  
HETATM   50  C   UNL     1       8.801  -3.656  -2.621  1.00  0.00           C  
HETATM   51  H   UNL     1      -5.603   0.007  -3.970  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.310   0.544   0.426  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.877  -0.920   1.823  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.521  -0.808   2.494  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.718  -3.154   2.494  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.179  -2.960   0.560  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.326  -4.301   0.331  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.478  -0.531   0.965  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.227  -0.445  -0.795  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.068  -2.679  -0.124  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.635  -4.144   1.273  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.132  -2.691   2.173  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.283  -4.024  -1.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.529  -2.485  -2.058  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.115  -2.949  -1.736  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.496  -1.412  -0.531  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.432   3.151  -0.159  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.089   5.343  -3.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.562   6.370  -2.019  1.00  0.00           H  
HETATM   70  H   UNL     1       0.645   5.521  -3.013  1.00  0.00           H  
HETATM   71  H   UNL     1       1.336   6.195  -1.157  1.00  0.00           H  
HETATM   72  H   UNL     1       2.891   6.177   0.747  1.00  0.00           H  
HETATM   73  H   UNL     1       2.882   4.306   2.340  1.00  0.00           H  
HETATM   74  H   UNL     1       2.262   1.301   3.808  1.00  0.00           H  
HETATM   75  H   UNL     1       3.306   2.280   2.750  1.00  0.00           H  
HETATM   76  H   UNL     1       2.187   3.078   3.881  1.00  0.00           H  
HETATM   77  H   UNL     1       1.985   1.575  -1.211  1.00  0.00           H  
HETATM   78  H   UNL     1       4.233   0.627  -0.929  1.00  0.00           H  
HETATM   79  H   UNL     1       2.694  -2.135   1.971  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.783  -0.777   1.660  1.00  0.00           H  
HETATM   81  H   UNL     1       0.830  -3.362   1.826  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.913  -3.204   2.148  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.281  -2.915   0.509  1.00  0.00           H  
HETATM   84  H   UNL     1       0.552  -0.127   3.646  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.426  -1.576   3.980  1.00  0.00           H  
HETATM   86  H   UNL     1       1.317  -1.735   3.657  1.00  0.00           H  
HETATM   87  H   UNL     1       5.844   1.070  -0.664  1.00  0.00           H  
HETATM   88  H   UNL     1       4.969   1.170   0.884  1.00  0.00           H  
HETATM   89  H   UNL     1       6.739   1.361   0.847  1.00  0.00           H  
HETATM   90  H   UNL     1       8.092  -0.465   1.039  1.00  0.00           H  
HETATM   91  H   UNL     1       7.375  -2.079   1.264  1.00  0.00           H  
HETATM   92  H   UNL     1       7.122  -2.309  -1.191  1.00  0.00           H  
HETATM   93  H   UNL     1       7.839  -0.695  -1.417  1.00  0.00           H  
HETATM   94  H   UNL     1       9.927  -1.471  -0.327  1.00  0.00           H  
HETATM   95  H   UNL     1       9.210  -3.085  -0.102  1.00  0.00           H  
HETATM   96  H   UNL     1      11.344  -3.218  -3.140  1.00  0.00           H  
HETATM   97  H   UNL     1      11.666  -2.101  -1.793  1.00  0.00           H  
HETATM   98  H   UNL     1      11.229  -3.794  -1.460  1.00  0.00           H  
HETATM   99  H   UNL     1       7.762  -3.327  -2.653  1.00  0.00           H  
HETATM  100  H   UNL     1       9.131  -3.914  -3.628  1.00  0.00           H  
HETATM  101  H   UNL     1       8.887  -4.530  -1.976  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    3    1    1                                       
CONECT    3    2   51                                                 
CONECT    4    5   14   13    2                                       
CONECT    5    6    9    4   52                                       
CONECT    6    7    5   53   54                                       
CONECT    7    6   11    8   55                                       
CONECT    8    7   13   56   57                                       
CONECT    9    5   10   58   59                                       
CONECT   10   11    9   12   60                                       
CONECT   11    7   10   61   62                                       
CONECT   12   10   13   63   64                                       
CONECT   13    8    4   12   65                                       
CONECT   14   15    4   66                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   19   19   18   15                                       
CONECT   18   21   21   17   67                                       
CONECT   19   20   17   17                                            
CONECT   20   32   19   21                                            
CONECT   21   20   22   18   18                                       
CONECT   22   29   21   23   23                                       
CONECT   23   22   22   26   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   68   69   70                                       
CONECT   26   27   27   23   71                                       
CONECT   27   28   26   26   72                                       
CONECT   28   29   29   27   73                                       
CONECT   29   30   28   28   22                                       
CONECT   30   31   29                                                 
CONECT   31   30   74   75   76                                       
CONECT   32   37   37   33   20                                       
CONECT   33   34   34   32   77                                       
CONECT   34   35   33   33   78                                       
CONECT   35   41   36   36   34                                       
CONECT   36   35   35   37   79                                       
CONECT   37   36   38   32   32                                       
CONECT   38   39   40   37   80                                       
CONECT   39   38   81   82   83                                       
CONECT   40   38   84   85   86                                       
CONECT   41   43   42   42   35                                       
CONECT   42   41   41                                                 
CONECT   43   44   45   41                                            
CONECT   44   43   87   88   89                                       
CONECT   45   46   43   90   91                                       
CONECT   46   47   45   92   93                                       
CONECT   47   48   46   94   95                                       
CONECT   48   49   50   47                                            
CONECT   49   48   96   97   98                                       
CONECT   50   48   99  100  101                                       
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   18                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   36                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   40                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   46                                                      
CONECT   94   47                                                      
CONECT   95   47                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   49                                                      
CONECT   99   50                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
