COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.339   1.103  -1.633  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.288   0.199  -2.444  1.00  0.00           O  
HETATM    3  O   UNL     1      -8.477   1.806  -1.480  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.603   1.429  -2.316  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.257   1.402  -0.888  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.019   0.637  -1.054  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.206   1.228  -2.208  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.001   0.330  -2.495  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.084   1.319  -3.457  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.718   2.627  -1.824  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.212   0.706   0.216  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.536   1.469   1.101  1.00  0.00           O  
HETATM   13  N   UNL     1       1.520  -0.044  -0.244  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.910  -0.210   1.391  1.00  0.00           C  
HETATM   15  C   UNL     1       1.620   2.378   0.081  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.414  -0.104   1.649  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.877  -1.309   2.470  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.311  -1.636   1.986  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.020  -0.362   4.335  1.00  0.00           C  
HETATM   20  C   UNL     1       3.127   2.398   0.116  1.00  0.00           C  
HETATM   21  C   UNL     1       5.164   2.808   1.306  1.00  0.00           C  
HETATM   22  C   UNL     1       3.847   2.034  -1.007  1.00  0.00           C  
HETATM   23  C   UNL     1       1.115   1.048   0.645  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.411   1.084   0.746  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.129  -0.082   0.370  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.331  -1.145   2.829  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.645  -1.485   2.315  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.999  -0.847   3.489  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.686  -0.503   4.001  1.00  0.00           C  
HETATM   30  C   UNL     1       3.784   2.787   1.269  1.00  0.00           C  
HETATM   31  C   UNL     1       5.894   2.435   0.180  1.00  0.00           C  
HETATM   32  C   UNL     1       5.227   2.050  -0.981  1.00  0.00           C  
HETATM   33  C   UNL     1       7.378   2.456   0.214  1.00  0.00           C  
HETATM   34  C   UNL     1       8.054   2.842   1.369  1.00  0.00           C  
HETATM   35  N   UNL     1       9.371   2.860   1.401  1.00  0.00           N  
HETATM   36  C   UNL     1      10.097   2.520   0.354  1.00  0.00           C  
HETATM   37  C   UNL     1       9.500   2.126  -0.830  1.00  0.00           C  
HETATM   38  C   UNL     1       8.119   2.084  -0.911  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.972   1.212  -0.562  1.00  0.00           O  
HETATM   40  N   UNL     1       3.521  -3.112  -0.001  1.00  0.00           N  
HETATM   41  C   UNL     1       2.494  -2.283  -0.637  1.00  0.00           C  
HETATM   42  C   UNL     1       1.234  -3.120  -0.868  1.00  0.00           C  
HETATM   43  C   UNL     1       0.644  -3.536   0.481  1.00  0.00           C  
HETATM   44  C   UNL     1       0.206  -2.291  -1.640  1.00  0.00           C  
HETATM   45  C   UNL     1       1.592  -4.369  -1.675  1.00  0.00           C  
HETATM   46  C   UNL     1       2.166  -1.116   0.257  1.00  0.00           C  
HETATM   47  O   UNL     1       2.482  -1.141   1.428  1.00  0.00           O  
HETATM   48  C   UNL     1       4.328  -3.884  -0.756  1.00  0.00           C  
HETATM   49  O   UNL     1       4.203  -3.892  -1.965  1.00  0.00           O  
HETATM   50  O   UNL     1       5.271  -4.646  -0.171  1.00  0.00           O  
HETATM   51  C   UNL     1       6.104  -5.451  -1.046  1.00  0.00           C  
HETATM   52  H   UNL     1     -10.453   2.073  -2.093  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.329   1.540  -3.366  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.871   0.391  -2.119  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.298   2.124  -0.241  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.261  -0.402  -1.276  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.349  -0.653  -2.815  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.396   0.775  -3.285  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.401   0.227  -1.592  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.942   1.959  -3.252  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.505   1.740  -4.279  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.431   0.323  -3.730  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.092   2.562  -0.934  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.139   3.048  -2.645  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.576   3.267  -1.619  1.00  0.00           H  
HETATM   66  H   UNL     1       1.320   0.002  -1.192  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.390  -0.369   2.336  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.714  -1.048   0.722  1.00  0.00           H  
HETATM   69  H   UNL     1       1.232   3.199   0.683  1.00  0.00           H  
HETATM   70  H   UNL     1       1.279   2.489  -0.948  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.625   0.813   2.199  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.748  -2.220   1.884  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.283  -1.377   3.382  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.034  -2.134   1.068  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.297   0.136   5.252  1.00  0.00           H  
HETATM   76  H   UNL     1       5.676   3.112   2.207  1.00  0.00           H  
HETATM   77  H   UNL     1       3.329   1.735  -1.907  1.00  0.00           H  
HETATM   78  H   UNL     1       1.541   0.888   1.635  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.715   1.935   1.356  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.822  -0.634  -0.366  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.410  -1.864   1.654  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.042  -0.737   3.750  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.921  -0.119   4.659  1.00  0.00           H  
HETATM   84  H   UNL     1       3.217   3.075   2.142  1.00  0.00           H  
HETATM   85  H   UNL     1       5.788   1.760  -1.857  1.00  0.00           H  
HETATM   86  H   UNL     1       7.493   3.128   2.247  1.00  0.00           H  
HETATM   87  H   UNL     1      11.175   2.549   0.423  1.00  0.00           H  
HETATM   88  H   UNL     1      10.106   1.850  -1.681  1.00  0.00           H  
HETATM   89  H   UNL     1       7.627   1.776  -1.821  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.763   0.475  -1.153  1.00  0.00           H  
HETATM   91  H   UNL     1       3.621  -3.106   0.964  1.00  0.00           H  
HETATM   92  H   UNL     1       2.866  -1.915  -1.594  1.00  0.00           H  
HETATM   93  H   UNL     1       0.316  -2.649   1.023  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.206  -4.197   0.317  1.00  0.00           H  
HETATM   95  H   UNL     1       1.403  -4.057   1.064  1.00  0.00           H  
HETATM   96  H   UNL     1       0.670  -1.880  -2.537  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.633  -2.926  -1.923  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.151  -1.476  -1.010  1.00  0.00           H  
HETATM   99  H   UNL     1       2.325  -4.960  -1.125  1.00  0.00           H  
HETATM  100  H   UNL     1       0.694  -4.965  -1.839  1.00  0.00           H  
HETATM  101  H   UNL     1       2.012  -4.073  -2.636  1.00  0.00           H  
HETATM  102  H   UNL     1       5.477  -6.143  -1.609  1.00  0.00           H  
HETATM  103  H   UNL     1       6.640  -4.801  -1.738  1.00  0.00           H  
HETATM  104  H   UNL     1       6.820  -6.015  -0.449  1.00  0.00           H  
CONECT    1    2    2    5    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3   52   53   54                                       
CONECT    5    6    1   55                                            
CONECT    6   11    7    5   56                                       
CONECT    7    6    9    8   10                                       
CONECT    8    7   57   58   59                                       
CONECT    9    7   60   61   62                                       
CONECT   10    7   63   64   65                                       
CONECT   11   25   12   12    6                                       
CONECT   12   11   11                                                 
CONECT   13   46   23   66                                            
CONECT   14   24   16   67   68                                       
CONECT   15   20   23   69   70                                       
CONECT   16   14   17   25   71                                       
CONECT   17   16   26   72   73                                       
CONECT   18   26   26   27   74                                       
CONECT   19   29   29   28   75                                       
CONECT   20   15   30   30   22                                       
CONECT   21   30   31   31   76                                       
CONECT   22   20   32   32   77                                       
CONECT   23   13   15   24   78                                       
CONECT   24   14   23   39   79                                       
CONECT   25   16   11   80                                            
CONECT   26   17   18   18   29                                       
CONECT   27   18   28   28   81                                       
CONECT   28   19   27   27   82                                       
CONECT   29   19   19   26   83                                       
CONECT   30   20   20   21   84                                       
CONECT   31   21   21   33   32                                       
CONECT   32   22   22   31   85                                       
CONECT   33   31   34   34   38                                       
CONECT   34   33   33   35   86                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   37   87                                       
CONECT   37   36   38   38   88                                       
CONECT   38   33   37   37   89                                       
CONECT   39   24   90                                                 
CONECT   40   41   48   91                                            
CONECT   41   46   40   42   92                                       
CONECT   42   41   43   44   45                                       
CONECT   43   42   93   94   95                                       
CONECT   44   42   96   97   98                                       
CONECT   45   42   99  100  101                                       
CONECT   46   13   41   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   40   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51                                                 
CONECT   51   50  102  103  104                                       
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   44                                                      
CONECT   99   45                                                      
CONECT  100   45                                                      
CONECT  101   45                                                      
CONECT  102   51                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
