COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.764   2.080   0.091  1.00  0.00           C  
HETATM    2  O   UNL     1      12.393   2.060  -1.068  1.00  0.00           O  
HETATM    3  C   UNL     1      13.946   2.867   0.472  1.00  0.00           C  
HETATM    4  C   UNL     1      14.611   3.557  -0.449  1.00  0.00           C  
HETATM    5  C   UNL     1      15.823   4.364  -0.059  1.00  0.00           C  
HETATM    6  C   UNL     1      17.016   3.939  -0.917  1.00  0.00           C  
HETATM    7  C   UNL     1      18.246   4.758  -0.521  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.721   7.663  -0.175  1.00  0.00           N  
HETATM    9  O   UNL     1      -5.014  -2.615  -2.473  1.00  0.00           O  
HETATM   10  P   UNL     1      -5.044  -2.892  -0.954  1.00  0.00           P  
HETATM   11  C   UNL     1      -6.088   2.682   0.375  1.00  0.00           C  
HETATM   12  S   UNL     1      11.879   1.171   1.314  1.00  0.00           S  
HETATM   13  C   UNL     1      -5.528   7.122   0.719  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.100  -3.977  -0.649  1.00  0.00           O1-
HETATM   15  P   UNL     1      -2.493  -4.394  -1.104  1.00  0.00           P  
HETATM   16  C   UNL     1      -7.544   2.619  -0.153  1.00  0.00           C  
HETATM   17  O   UNL     1      -8.358   3.610   0.478  1.00  0.00           O  
HETATM   18  C   UNL     1      10.578   0.445   0.286  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.792   5.833   0.746  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.595  -3.404  -0.473  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.980   1.195   0.269  1.00  0.00           C  
HETATM   22  O   UNL     1      -8.724   1.240   1.488  1.00  0.00           O  
HETATM   23  P   UNL     1     -10.232   0.689   1.616  1.00  0.00           P  
HETATM   24  C   UNL     1       9.658  -0.413   1.157  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.243   5.011  -0.144  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.965  -5.857  -0.948  1.00  0.00           O1-
HETATM   27  C   UNL     1      -6.653   0.439   0.475  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.589   1.347   0.146  1.00  0.00           O  
HETATM   29  N   UNL     1       8.605  -1.000   0.325  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.377   5.538  -1.116  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.306  -4.069  -2.602  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.601  -0.780  -0.448  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.422  -1.539  -0.168  1.00  0.00           O  
HETATM   34  C   UNL     1       7.674  -1.800   0.882  1.00  0.00           C  
HETATM   35  O   UNL     1       7.707  -2.032   2.071  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.127   6.920  -1.104  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.283   7.496  -2.037  1.00  0.00           N  
HETATM   38  O   UNL     1      -1.092  -4.198  -0.334  1.00  0.00           O  
HETATM   39  C   UNL     1       6.590  -2.404   0.025  1.00  0.00           C  
HETATM   40  N   UNL     1      -3.963   4.502  -1.885  1.00  0.00           N  
HETATM   41  O   UNL     1     -10.242  -0.861   1.387  1.00  0.00           O1-
HETATM   42  C   UNL     1       5.671  -3.262   0.897  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.508   3.400  -1.457  1.00  0.00           C  
HETATM   44  O   UNL     1     -10.785   1.009   3.046  1.00  0.00           O1-
HETATM   45  N   UNL     1       4.618  -3.849   0.065  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.306   3.662  -0.384  1.00  0.00           N  
HETATM   47  O   UNL     1     -11.135   1.382   0.539  1.00  0.00           O  
HETATM   48  C   UNL     1       3.686  -4.648   0.621  1.00  0.00           C  
HETATM   49  O   UNL     1       3.772  -4.957   1.791  1.00  0.00           O  
HETATM   50  C   UNL     1       2.538  -5.159  -0.210  1.00  0.00           C  
HETATM   51  O   UNL     1       2.795  -4.896  -1.591  1.00  0.00           O  
HETATM   52  C   UNL     1       1.248  -4.451   0.212  1.00  0.00           C  
HETATM   53  C   UNL     1       0.112  -4.859  -0.728  1.00  0.00           C  
HETATM   54  C   UNL     1       0.893  -4.852   1.645  1.00  0.00           C  
HETATM   55  C   UNL     1       1.451  -2.937   0.141  1.00  0.00           C  
HETATM   56  H   UNL     1      14.275   2.884   1.501  1.00  0.00           H  
HETATM   57  H   UNL     1      14.283   3.540  -1.478  1.00  0.00           H  
HETATM   58  H   UNL     1      15.620   5.423  -0.216  1.00  0.00           H  
HETATM   59  H   UNL     1      16.052   4.189   0.993  1.00  0.00           H  
HETATM   60  H   UNL     1      17.219   2.880  -0.760  1.00  0.00           H  
HETATM   61  H   UNL     1      16.787   4.114  -1.969  1.00  0.00           H  
HETATM   62  H   UNL     1      18.044   5.818  -0.678  1.00  0.00           H  
HETATM   63  H   UNL     1      18.475   4.584   0.531  1.00  0.00           H  
HETATM   64  H   UNL     1      19.096   4.456  -1.133  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.075   2.920   1.439  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.990   7.762   1.457  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.570   2.729  -1.237  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.069   4.518   0.316  1.00  0.00           H  
HETATM   69  H   UNL     1       9.997   1.241  -0.181  1.00  0.00           H  
HETATM   70  H   UNL     1      11.030  -0.176  -0.487  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.570   0.727  -0.520  1.00  0.00           H  
HETATM   72  H   UNL     1      10.239  -1.209   1.624  1.00  0.00           H  
HETATM   73  H   UNL     1       9.206   0.208   1.930  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.564   0.123   1.515  1.00  0.00           H  
HETATM   75  H   UNL     1       8.579  -0.814  -0.627  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.481  -1.401  -0.280  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.582  -0.450  -1.486  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.119   8.452  -2.019  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.855   6.943  -2.710  1.00  0.00           H  
HETATM   80  H   UNL     1       6.010  -1.608  -0.441  1.00  0.00           H  
HETATM   81  H   UNL     1       7.042  -3.025  -0.748  1.00  0.00           H  
HETATM   82  H   UNL     1       6.251  -4.058   1.364  1.00  0.00           H  
HETATM   83  H   UNL     1       5.219  -2.641   1.670  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.350   2.423  -1.888  1.00  0.00           H  
HETATM   85  H   UNL     1       4.591  -3.663  -0.887  1.00  0.00           H  
HETATM   86  H   UNL     1       2.429  -6.233  -0.059  1.00  0.00           H  
HETATM   87  H   UNL     1       2.903  -3.958  -1.799  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.032  -5.938  -0.677  1.00  0.00           H  
HETATM   89  H   UNL     1       0.365  -4.574  -1.749  1.00  0.00           H  
HETATM   90  H   UNL     1       1.666  -4.493   2.325  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.065  -4.410   1.919  1.00  0.00           H  
HETATM   92  H   UNL     1       0.825  -5.937   1.713  1.00  0.00           H  
HETATM   93  H   UNL     1       1.705  -2.652  -0.880  1.00  0.00           H  
HETATM   94  H   UNL     1       0.533  -2.432   0.441  1.00  0.00           H  
HETATM   95  H   UNL     1       2.261  -2.647   0.810  1.00  0.00           H  
CONECT    1    2    2    3   12                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4   56                                       
CONECT    4    3    3    5   57                                       
CONECT    5    4    6   58   59                                       
CONECT    6    5    7   60   61                                       
CONECT    7    6   62   63   64                                       
CONECT    8   13   13   36                                            
CONECT    9   10   10                                                 
CONECT   10    9    9   14   20                                       
CONECT   10   33                                                      
CONECT   11   16   28   46   65                                       
CONECT   12    1   18                                                 
CONECT   13    8    8   19   66                                       
CONECT   14   10                                                      
CONECT   15   20   26   31   31                                       
CONECT   15   38                                                      
CONECT   16   11   17   21   67                                       
CONECT   17   16   68                                                 
CONECT   18   12   24   69   70                                       
CONECT   19   13   25   25                                            
CONECT   20   10   15                                                 
CONECT   21   16   22   27   71                                       
CONECT   22   21   23                                                 
CONECT   23   22   41   44   47                                       
CONECT   23   47                                                      
CONECT   24   18   29   72   73                                       
CONECT   25   19   19   30   46                                       
CONECT   26   15                                                      
CONECT   27   21   28   32   74                                       
CONECT   28   11   27                                                 
CONECT   29   24   34   75                                            
CONECT   30   25   36   36   40                                       
CONECT   31   15   15                                                 
CONECT   32   27   33   76   77                                       
CONECT   33   10   32                                                 
CONECT   34   29   35   35   39                                       
CONECT   35   34   34                                                 
CONECT   36    8   30   30   37                                       
CONECT   37   36   78   79                                            
CONECT   38   15   53                                                 
CONECT   39   34   42   80   81                                       
CONECT   40   30   43   43                                            
CONECT   41   23                                                      
CONECT   42   39   45   82   83                                       
CONECT   43   40   40   46   84                                       
CONECT   44   23                                                      
CONECT   45   42   48   85                                            
CONECT   46   11   25   43                                            
CONECT   47   23   23                                                 
CONECT   48   45   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   52   86                                       
CONECT   51   50   87                                                 
CONECT   52   50   53   54   55                                       
CONECT   53   38   52   88   89                                       
CONECT   54   52   90   91   92                                       
CONECT   55   52   93   94   95                                       
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   21                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   45                                                      
CONECT   86   50                                                      
CONECT   87   51                                                      
CONECT   88   53                                                      
CONECT   89   53                                                      
CONECT   90   54                                                      
CONECT   91   54                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
