COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.232   2.365  -2.512  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.756   2.742  -2.666  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.372   2.706  -4.146  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.634   3.961   0.901  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.625   2.461  -1.035  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.112  -6.879   1.847  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.653  -6.521   1.561  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.550  -5.032   1.222  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.090  -4.674   0.937  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.987  -3.185   0.598  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.527  -2.827   0.312  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.424  -1.339  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.965  -0.980  -0.312  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.527  -1.667  -1.487  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.843   0.529  -0.529  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.391   0.899  -0.688  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.540   0.042  -0.634  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.042   2.179  -0.890  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.331   3.878  -0.530  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.943   5.149   1.456  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.254   5.234   2.928  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.970   6.150   0.771  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.434   1.028  -2.974  1.00  0.00           O  
HETATM   24  O   UNL     1       1.031   2.943  -4.280  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.545   4.057  -2.150  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.851   4.195  -0.759  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.046   3.289  -0.002  1.00  0.00           O  
HETATM   28  P   UNL     1       1.404   3.679   0.579  1.00  0.00           P  
HETATM   29  O   UNL     1       1.245   4.845   1.679  1.00  0.00           O  
HETATM   30  O   UNL     1       2.266   4.157  -0.525  1.00  0.00           O  
HETATM   31  O   UNL     1       2.075   2.385   1.262  1.00  0.00           O  
HETATM   32  P   UNL     1       3.569   2.018   1.734  1.00  0.00           P  
HETATM   33  O   UNL     1       3.862   2.696   3.165  1.00  0.00           O  
HETATM   34  O   UNL     1       4.540   2.526   0.740  1.00  0.00           O  
HETATM   35  O   UNL     1       3.716   0.419   1.858  1.00  0.00           O  
HETATM   36  C   UNL     1       4.954  -0.228   2.158  1.00  0.00           C  
HETATM   37  C   UNL     1       4.741  -1.742   2.201  1.00  0.00           C  
HETATM   38  O   UNL     1       4.411  -2.227   0.888  1.00  0.00           O  
HETATM   39  C   UNL     1       6.042  -2.443   2.638  1.00  0.00           C  
HETATM   40  O   UNL     1       5.832  -3.181   3.843  1.00  0.00           O  
HETATM   41  C   UNL     1       6.372  -3.397   1.464  1.00  0.00           C  
HETATM   42  O   UNL     1       6.837  -4.659   1.948  1.00  0.00           O  
HETATM   43  C   UNL     1       4.991  -3.544   0.767  1.00  0.00           C  
HETATM   44  N   UNL     1       5.160  -3.907  -0.642  1.00  0.00           N  
HETATM   45  C   UNL     1       4.716  -5.123  -1.087  1.00  0.00           C  
HETATM   46  C   UNL     1       4.872  -5.457  -2.385  1.00  0.00           C  
HETATM   47  C   UNL     1       5.494  -4.538  -3.264  1.00  0.00           C  
HETATM   48  O   UNL     1       5.646  -4.817  -4.439  1.00  0.00           O  
HETATM   49  N   UNL     1       5.918  -3.350  -2.786  1.00  0.00           N  
HETATM   50  C   UNL     1       5.746  -3.040  -1.488  1.00  0.00           C  
HETATM   51  O   UNL     1       6.133  -1.965  -1.072  1.00  0.00           O  
HETATM   52  H   UNL     1      -2.845   3.050  -3.098  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.140   2.032  -2.113  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.617   1.729  -4.562  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.924   3.478  -4.683  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.612   3.160   1.448  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.049   1.740  -0.456  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.186  -7.939   2.088  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.473  -6.289   2.689  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.718  -6.664   0.966  1.00  0.00           H  
HETATM   61  H   UNL     1     -10.047  -6.735   2.442  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.292  -7.111   0.719  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.156  -4.818   0.342  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.911  -4.442   2.064  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.484  -4.889   1.817  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.729  -5.264   0.094  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.593  -2.971  -0.283  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.348  -2.595   1.440  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.922  -3.042   1.193  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.166  -3.417  -0.530  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.030  -1.124  -0.907  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.786  -0.748   0.815  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.346  -1.277   0.534  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.034  -1.451  -2.281  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.391   0.813  -1.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.259   1.054   0.331  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.946   4.594  -1.075  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.324   5.090   3.082  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.703   4.460   3.462  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.962   6.214   3.305  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.203   0.894  -3.903  1.00  0.00           H  
HETATM   82  H   UNL     1       1.346   2.935  -5.195  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.645   5.217  -0.441  1.00  0.00           H  
HETATM   84  H   UNL     1       0.692   4.601   2.433  1.00  0.00           H  
HETATM   85  H   UNL     1       3.262   2.408   3.867  1.00  0.00           H  
HETATM   86  H   UNL     1       5.686   0.014   1.387  1.00  0.00           H  
HETATM   87  H   UNL     1       5.319   0.115   3.126  1.00  0.00           H  
HETATM   88  H   UNL     1       3.938  -1.984   2.897  1.00  0.00           H  
HETATM   89  H   UNL     1       6.841  -1.714   2.773  1.00  0.00           H  
HETATM   90  H   UNL     1       6.619  -3.643   4.163  1.00  0.00           H  
HETATM   91  H   UNL     1       7.102  -2.948   0.791  1.00  0.00           H  
HETATM   92  H   UNL     1       7.651  -4.605   2.468  1.00  0.00           H  
HETATM   93  H   UNL     1       4.377  -4.281   1.283  1.00  0.00           H  
HETATM   94  H   UNL     1       4.244  -5.811  -0.402  1.00  0.00           H  
HETATM   95  H   UNL     1       4.526  -6.413  -2.750  1.00  0.00           H  
HETATM   96  H   UNL     1       6.342  -2.713  -3.383  1.00  0.00           H  
CONECT    1    2    5   23   52                                       
CONECT    2   25    3    1   53                                       
CONECT    3    2   24   54   55                                       
CONECT    4   20   19   56                                            
CONECT    5   19    1   18   57                                       
CONECT    6    7   58   59   60                                       
CONECT    7    8    6   61   62                                       
CONECT    8    7    9   63   64                                       
CONECT    9    8   10   65   66                                       
CONECT   10    9   11   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   15   14   73                                       
CONECT   14   13   74                                                 
CONECT   15   16   13   75   76                                       
CONECT   16   18   17   17   15                                       
CONECT   17   16   16                                                 
CONECT   18    5   16                                                 
CONECT   19    4   26    5   77                                       
CONECT   20   21   22   22    4                                       
CONECT   21   20   78   79   80                                       
CONECT   22   20   20                                                 
CONECT   23    1   81                                                 
CONECT   24    3   82                                                 
CONECT   25   26    2                                                 
CONECT   26   27   25   19   83                                       
CONECT   27   28   26                                                 
CONECT   28   31   30   30   29                                       
CONECT   28   27                                                      
CONECT   29   28   84                                                 
CONECT   30   28   28                                                 
CONECT   31   32   28                                                 
CONECT   32   35   34   34   31                                       
CONECT   32   33                                                      
CONECT   33   32   85                                                 
CONECT   34   32   32                                                 
CONECT   35   36   32                                                 
CONECT   36   37   35   86   87                                       
CONECT   37   39   38   36   88                                       
CONECT   38   43   37                                                 
CONECT   39   41   40   37   89                                       
CONECT   40   39   90                                                 
CONECT   41   42   43   39   91                                       
CONECT   42   41   92                                                 
CONECT   43   44   41   38   93                                       
CONECT   44   50   43   45                                            
CONECT   45   44   46   46   94                                       
CONECT   46   47   45   45   95                                       
CONECT   47   49   48   48   46                                       
CONECT   48   47   47                                                 
CONECT   49   50   47   96                                            
CONECT   50   51   51   49   44                                       
CONECT   51   50   50                                                 
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   15                                                      
CONECT   76   15                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   26                                                      
CONECT   84   29                                                      
CONECT   85   33                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   49                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
