COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.135   4.457   0.378  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.595   3.302  -0.040  1.00  0.00           O  
HETATM    3  C   UNL     1       1.617   4.276   0.037  1.00  0.00           C  
HETATM    4  N   UNL     1       1.763   4.041  -1.401  1.00  0.00           N  
HETATM    5  C   UNL     1       2.167   3.073   0.811  1.00  0.00           C  
HETATM    6  N   UNL     1       3.602   2.937   0.549  1.00  0.00           N  
HETATM    7  C   UNL     1       1.938   3.295   2.309  1.00  0.00           C  
HETATM    8  O   UNL     1       2.383   2.148   3.035  1.00  0.00           O  
HETATM    9  C   UNL     1       0.444   3.515   2.562  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.010   4.628   1.789  1.00  0.00           O  
HETATM   11  C   UNL     1       0.214   3.797   4.048  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.189   3.886   4.304  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.773  -3.861  -0.253  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.596  -4.220  -1.510  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.332  -5.565  -1.914  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.098  -3.225  -2.582  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.514  -3.924  -3.682  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.034  -2.382  -1.846  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.384  -2.484  -0.448  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.097  -0.924  -2.306  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.032  -0.187  -1.702  1.00  0.00           O  
HETATM   22  C   UNL     1       4.199   1.735   0.677  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.593   1.907  -1.026  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.136   3.359  -0.502  1.00  0.00           P  
HETATM   25  C   UNL     1       1.829   5.085  -2.251  1.00  0.00           C  
HETATM   26  C   UNL     1       1.980   4.844  -3.731  1.00  0.00           C  
HETATM   27  O   UNL     1       1.768   6.219  -1.824  1.00  0.00           O  
HETATM   28  O   UNL     1      -3.055   3.792   0.748  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.288   4.348  -1.592  1.00  0.00           O  
HETATM   30  P   UNL     1      -3.793   1.383  -1.963  1.00  0.00           P  
HETATM   31  O   UNL     1      -5.030   2.130  -1.644  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.408   1.618  -3.509  1.00  0.00           O  
HETATM   33  N   UNL     1      -6.598  -3.992   0.951  1.00  0.00           N  
HETATM   34  O   UNL     1       3.548   0.767   1.009  1.00  0.00           O  
HETATM   35  C   UNL     1       5.675   1.595   0.408  1.00  0.00           C  
HETATM   36  C   UNL     1       6.097   0.140   0.624  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.694  -3.226   1.094  1.00  0.00           C  
HETATM   38  C   UNL     1       7.566  -0.028   0.231  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.470  -3.326   2.190  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.156  -4.201   3.166  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.005  -5.014   3.028  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.248  -4.896   1.916  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.857  -4.292   4.158  1.00  0.00           O  
HETATM   44  C   UNL     1       7.954  -1.505   0.329  1.00  0.00           C  
HETATM   45  C   UNL     1       9.423  -1.674  -0.064  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.990  -2.432   0.221  1.00  0.00           O  
HETATM   47  C   UNL     1       9.810  -3.151   0.033  1.00  0.00           C  
HETATM   48  C   UNL     1      11.279  -3.319  -0.360  1.00  0.00           C  
HETATM   49  C   UNL     1      11.667  -4.796  -0.263  1.00  0.00           C  
HETATM   50  C   UNL     1      13.136  -4.965  -0.655  1.00  0.00           C  
HETATM   51  C   UNL     1      13.524  -6.442  -0.558  1.00  0.00           C  
HETATM   52  C   UNL     1      14.993  -6.611  -0.951  1.00  0.00           C  
HETATM   53  O   UNL     1       5.929  -0.205   2.001  1.00  0.00           O  
HETATM   54  H   UNL     1      -0.250   5.338  -0.136  1.00  0.00           H  
HETATM   55  H   UNL     1       2.168   5.173   0.319  1.00  0.00           H  
HETATM   56  H   UNL     1       1.812   3.134  -1.742  1.00  0.00           H  
HETATM   57  H   UNL     1       1.649   2.168   0.493  1.00  0.00           H  
HETATM   58  H   UNL     1       4.122   3.711   0.283  1.00  0.00           H  
HETATM   59  H   UNL     1       2.496   4.172   2.636  1.00  0.00           H  
HETATM   60  H   UNL     1       2.267   2.219   3.993  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.109   2.621   2.272  1.00  0.00           H  
HETATM   62  H   UNL     1       0.641   2.989   4.641  1.00  0.00           H  
HETATM   63  H   UNL     1       0.694   4.738   4.317  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.409   4.064   5.229  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.892  -4.498  -0.180  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.661  -4.079  -1.323  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.822  -5.843  -2.700  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.917  -2.591  -2.925  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.126  -4.514  -4.143  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.039  -2.792  -2.019  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.999  -0.880  -3.390  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.052  -0.491  -2.009  1.00  0.00           H  
HETATM   73  H   UNL     1       0.994   4.769  -4.189  1.00  0.00           H  
HETATM   74  H   UNL     1       2.527   5.673  -4.180  1.00  0.00           H  
HETATM   75  H   UNL     1       2.528   3.916  -3.894  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.005   3.188   1.501  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.606   1.157  -3.789  1.00  0.00           H  
HETATM   78  H   UNL     1       5.886   1.885  -0.621  1.00  0.00           H  
HETATM   79  H   UNL     1       6.231   2.240   1.089  1.00  0.00           H  
HETATM   80  H   UNL     1       5.479  -0.513   0.008  1.00  0.00           H  
HETATM   81  H   UNL     1       7.711   0.319  -0.792  1.00  0.00           H  
HETATM   82  H   UNL     1       8.192   0.557   0.906  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.257  -2.766   2.277  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.738  -5.720   3.800  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.368  -5.510   1.792  1.00  0.00           H  
HETATM   86  H   UNL     1       7.809  -1.852   1.352  1.00  0.00           H  
HETATM   87  H   UNL     1       7.328  -2.090  -0.346  1.00  0.00           H  
HETATM   88  H   UNL     1       9.568  -1.327  -1.087  1.00  0.00           H  
HETATM   89  H   UNL     1      10.048  -1.089   0.610  1.00  0.00           H  
HETATM   90  H   UNL     1       9.665  -3.498   1.056  1.00  0.00           H  
HETATM   91  H   UNL     1       9.184  -3.736  -0.641  1.00  0.00           H  
HETATM   92  H   UNL     1      11.424  -2.972  -1.383  1.00  0.00           H  
HETATM   93  H   UNL     1      11.905  -2.735   0.315  1.00  0.00           H  
HETATM   94  H   UNL     1      11.522  -5.143   0.760  1.00  0.00           H  
HETATM   95  H   UNL     1      11.041  -5.381  -0.937  1.00  0.00           H  
HETATM   96  H   UNL     1      13.281  -4.618  -1.678  1.00  0.00           H  
HETATM   97  H   UNL     1      13.762  -4.380   0.019  1.00  0.00           H  
HETATM   98  H   UNL     1      13.379  -6.789   0.465  1.00  0.00           H  
HETATM   99  H   UNL     1      12.898  -7.027  -1.232  1.00  0.00           H  
HETATM  100  H   UNL     1      15.137  -6.263  -1.974  1.00  0.00           H  
HETATM  101  H   UNL     1      15.618  -6.026  -0.277  1.00  0.00           H  
HETATM  102  H   UNL     1      15.269  -7.663  -0.882  1.00  0.00           H  
HETATM  103  H   UNL     1       6.451   0.337   2.608  1.00  0.00           H  
CONECT    1   10    3    2   54                                       
CONECT    2    1   24                                                 
CONECT    3    1    5    4   55                                       
CONECT    4    3   25   56                                            
CONECT    5    3    7    6   57                                       
CONECT    6    5   22   58                                            
CONECT    7    5    8    9   59                                       
CONECT    8    7   60                                                 
CONECT    9    7   11   10   61                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   62   63                                       
CONECT   12   11   64                                                 
CONECT   13   19   33   14   65                                       
CONECT   14   13   16   15   66                                       
CONECT   15   14   67                                                 
CONECT   16   14   17   18   68                                       
CONECT   17   16   69                                                 
CONECT   18   16   19   20   70                                       
CONECT   19   13   18                                                 
CONECT   20   18   21   71   72                                       
CONECT   21   20   30                                                 
CONECT   22    6   35   34   34                                       
CONECT   23   24   30                                                 
CONECT   24   23    2   28   29                                       
CONECT   24   29                                                      
CONECT   25    4   26   27   27                                       
CONECT   26   25   73   74   75                                       
CONECT   27   25   25                                                 
CONECT   28   24   76                                                 
CONECT   29   24   24                                                 
CONECT   30   21   23   31   31                                       
CONECT   30   32                                                      
CONECT   31   30   30                                                 
CONECT   32   30   77                                                 
CONECT   33   13   42   37                                            
CONECT   34   22   22                                                 
CONECT   35   22   36   78   79                                       
CONECT   36   35   53   38   80                                       
CONECT   37   33   39   46   46                                       
CONECT   38   36   44   81   82                                       
CONECT   39   37   40   83                                            
CONECT   40   39   43   43   41                                       
CONECT   41   40   42   42   84                                       
CONECT   42   33   41   41   85                                       
CONECT   43   40   40                                                 
CONECT   44   38   45   86   87                                       
CONECT   45   44   47   88   89                                       
CONECT   46   37   37                                                 
CONECT   47   45   48   90   91                                       
CONECT   48   47   49   92   93                                       
CONECT   49   48   50   94   95                                       
CONECT   50   49   51   96   97                                       
CONECT   51   50   52   98   99                                       
CONECT   52   51  100  101  102                                       
CONECT   53   36  103                                                 
CONECT   54    1                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   32                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   45                                                      
CONECT   89   45                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   48                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   49                                                      
CONECT   96   50                                                      
CONECT   97   50                                                      
CONECT   98   51                                                      
CONECT   99   51                                                      
CONECT  100   52                                                      
CONECT  101   52                                                      
CONECT  102   52                                                      
CONECT  103   53                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
