COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.326  -0.221  -0.417  1.00  0.00           C  
HETATM    2  N   UNL     1      -9.394  -4.180   0.590  1.00  0.00           N  
HETATM    3  C   UNL     1       6.758   0.386   1.342  1.00  0.00           C  
HETATM    4  N   UNL     1     -10.296  -2.204  -0.327  1.00  0.00           N  
HETATM    5  C   UNL     1       6.311   1.172  -1.001  1.00  0.00           C  
HETATM    6  C   UNL     1       8.935  -0.570   0.957  1.00  0.00           C  
HETATM    7  O   UNL     1       0.252   2.554   0.758  1.00  0.00           O  
HETATM    8  C   UNL     1       4.218  -0.053  -1.441  1.00  0.00           C  
HETATM    9  C   UNL     1       2.759   0.040  -1.828  1.00  0.00           C  
HETATM   10  C   UNL     1       2.631   1.029  -3.013  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.833   2.064   0.667  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.991  -1.528   0.602  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.095   0.849  -0.237  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.356   1.831   0.934  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.216   2.862   0.753  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.163   2.116  -0.090  1.00  0.00           C  
HETATM   17  O   UNL     1       2.364   0.857   0.343  1.00  0.00           O  
HETATM   18  C   UNL     1       1.881   0.561  -0.724  1.00  0.00           C  
HETATM   19  C   UNL     1       2.231  -1.305  -2.335  1.00  0.00           C  
HETATM   20  C   UNL     1       2.573  -2.438  -1.374  1.00  0.00           C  
HETATM   21  C   UNL     1       4.085  -2.517  -1.175  1.00  0.00           C  
HETATM   22  C   UNL     1       4.591  -1.214  -0.528  1.00  0.00           C  
HETATM   23  C   UNL     1       3.978  -1.104   0.863  1.00  0.00           C  
HETATM   24  C   UNL     1       4.779   1.256  -0.890  1.00  0.00           C  
HETATM   25  O   UNL     1       6.890   2.399  -0.558  1.00  0.00           O  
HETATM   26  C   UNL     1       6.112  -1.293  -0.435  1.00  0.00           C  
HETATM   27  C   UNL     1       6.604  -2.415   0.457  1.00  0.00           C  
HETATM   28  C   UNL     1       7.040  -2.015   1.851  1.00  0.00           C  
HETATM   29  C   UNL     1       7.745  -0.668   1.930  1.00  0.00           C  
HETATM   30  C   UNL     1       6.818   0.021  -0.154  1.00  0.00           C  
HETATM   31  O   UNL     1       9.801   0.499   1.372  1.00  0.00           O  
HETATM   32  C   UNL     1       9.737  -1.865   0.892  1.00  0.00           C  
HETATM   33  O   UNL     1       0.561   0.697  -0.924  1.00  0.00           O  
HETATM   34  P   UNL     1      -0.310   1.261   0.307  1.00  0.00           P  
HETATM   35  O   UNL     1      -0.270   0.205   1.521  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.834   1.475  -0.168  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.655   0.784  -0.306  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.634   2.456   0.801  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.690   4.015   0.055  1.00  0.00           O  
HETATM   40  N   UNL     1      -6.658  -0.470   0.061  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.954  -0.867  -0.153  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.028  -2.201   0.283  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.796  -2.543   0.731  1.00  0.00           N  
HETATM   44  N   UNL     1      -9.044  -0.287  -0.644  1.00  0.00           N  
HETATM   45  C   UNL     1     -10.179  -0.950  -0.724  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.260  -2.866   0.177  1.00  0.00           C  
HETATM   47  H   UNL     1       8.775   0.686  -0.816  1.00  0.00           H  
HETATM   48  H   UNL     1       8.446  -1.049  -1.112  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.250  -4.629   0.512  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.630  -4.653   0.956  1.00  0.00           H  
HETATM   51  H   UNL     1       5.778   0.311   1.783  1.00  0.00           H  
HETATM   52  H   UNL     1       7.158   1.396   1.511  1.00  0.00           H  
HETATM   53  H   UNL     1       6.583   0.997  -2.044  1.00  0.00           H  
HETATM   54  H   UNL     1       4.777  -0.231  -2.397  1.00  0.00           H  
HETATM   55  H   UNL     1       3.218   0.663  -3.856  1.00  0.00           H  
HETATM   56  H   UNL     1       1.585   1.110  -3.308  1.00  0.00           H  
HETATM   57  H   UNL     1       3.001   2.008  -2.711  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.530   3.075   0.939  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.953   1.464   1.569  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.948  -1.526   0.882  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.510   1.241  -1.166  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.271   1.322   1.895  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.801   3.147   1.720  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.026   2.624  -1.045  1.00  0.00           H  
HETATM   65  H   UNL     1       1.146  -1.240  -2.448  1.00  0.00           H  
HETATM   66  H   UNL     1       2.672  -1.513  -3.313  1.00  0.00           H  
HETATM   67  H   UNL     1       2.057  -2.310  -0.428  1.00  0.00           H  
HETATM   68  H   UNL     1       2.232  -3.386  -1.816  1.00  0.00           H  
HETATM   69  H   UNL     1       4.325  -3.357  -0.526  1.00  0.00           H  
HETATM   70  H   UNL     1       4.575  -2.645  -2.139  1.00  0.00           H  
HETATM   71  H   UNL     1       2.896  -1.215   0.794  1.00  0.00           H  
HETATM   72  H   UNL     1       4.384  -1.888   1.503  1.00  0.00           H  
HETATM   73  H   UNL     1       4.216  -0.128   1.289  1.00  0.00           H  
HETATM   74  H   UNL     1       4.500   1.395   0.149  1.00  0.00           H  
HETATM   75  H   UNL     1       4.435   2.104  -1.476  1.00  0.00           H  
HETATM   76  H   UNL     1       6.604   3.173  -1.061  1.00  0.00           H  
HETATM   77  H   UNL     1       6.439  -1.585  -1.467  1.00  0.00           H  
HETATM   78  H   UNL     1       5.810  -3.170   0.547  1.00  0.00           H  
HETATM   79  H   UNL     1       7.435  -2.923  -0.050  1.00  0.00           H  
HETATM   80  H   UNL     1       6.148  -1.980   2.501  1.00  0.00           H  
HETATM   81  H   UNL     1       7.679  -2.799   2.275  1.00  0.00           H  
HETATM   82  H   UNL     1       8.037  -0.410   2.956  1.00  0.00           H  
HETATM   83  H   UNL     1      10.575   0.622   0.806  1.00  0.00           H  
HETATM   84  H   UNL     1       9.091  -2.676   0.556  1.00  0.00           H  
HETATM   85  H   UNL     1      10.565  -1.746   0.193  1.00  0.00           H  
HETATM   86  H   UNL     1      10.129  -2.100   1.882  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.624  -0.666   1.297  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.843   3.079   1.510  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.397   4.490   0.514  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.046  -0.449  -1.128  1.00  0.00           H  
CONECT    1    6   30   47   48                                       
CONECT    2   46   49   50                                            
CONECT    3   29   30   51   52                                       
CONECT    4   45   45   46                                            
CONECT    5   25   30   24   53                                       
CONECT    6   31   29   32    1                                       
CONECT    7   34   34                                                 
CONECT    8   24   22    9   54                                       
CONECT    9    8   18   10   19                                       
CONECT   10    9   55   56   57                                       
CONECT   11   36   16   58   59                                       
CONECT   12   40   43   43   60                                       
CONECT   13   37   40   14   61                                       
CONECT   14   13   38   15   62                                       
CONECT   15   16   14   39   63                                       
CONECT   16   37   11   15   64                                       
CONECT   17   18   18                                                 
CONECT   18   17   17    9   33                                       
CONECT   19    9   20   65   66                                       
CONECT   20   21   19   67   68                                       
CONECT   21   22   20   69   70                                       
CONECT   22   26   23    8   21                                       
CONECT   23   22   71   72   73                                       
CONECT   24    5    8   74   75                                       
CONECT   25    5   76                                                 
CONECT   26   30   27   22   77                                       
CONECT   27   28   26   78   79                                       
CONECT   28   29   27   80   81                                       
CONECT   29    6    3   28   82                                       
CONECT   30    3    1    5   26                                       
CONECT   31    6   83                                                 
CONECT   32    6   84   85   86                                       
CONECT   33   18   34                                                 
CONECT   34    7    7   36   33                                       
CONECT   34   35                                                      
CONECT   35   34   87                                                 
CONECT   36   34   11                                                 
CONECT   37   13   16                                                 
CONECT   38   14   88                                                 
CONECT   39   15   89                                                 
CONECT   40   41   13   12                                            
CONECT   41   44   44   42   40                                       
CONECT   42   46   46   41   43                                       
CONECT   43   42   12   12                                            
CONECT   44   45   41   41                                            
CONECT   45    4    4   44   90                                       
CONECT   46    4    2   42   42                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    5                                                      
CONECT   54    8                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   35                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
