COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.881   3.962   0.772  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.357   3.724   0.653  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.745   5.964   0.924  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.711   3.364   0.287  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.801  -3.392  -1.442  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.193  -5.994  -0.411  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.924  -6.328   0.688  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.069  -4.457   1.919  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.862  -5.561   1.850  1.00  0.00           C  
HETATM   10  C   UNL     1       0.652   0.934  -0.930  1.00  0.00           C  
HETATM   11  C   UNL     1       4.334   0.046   0.747  1.00  0.00           C  
HETATM   12  C   UNL     1       5.079   1.151  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       5.285   2.379   0.829  1.00  0.00           C  
HETATM   14  C   UNL     1       1.004   3.173   0.180  1.00  0.00           C  
HETATM   15  C   UNL     1       0.679   2.453  -1.137  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.199   3.781  -0.632  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.032   2.071  -0.512  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.337   2.011  -0.147  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.213   0.817  -0.181  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.288   0.039  -1.336  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.103  -1.071  -1.367  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.853  -1.417  -0.243  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.730  -2.612  -0.276  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.472  -2.949   0.841  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.300  -4.082   0.804  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.363  -4.862  -0.379  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.600  -4.488  -1.500  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.778  -0.639   0.913  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.959   0.468   0.946  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.557   4.154   0.143  1.00  0.00           C  
HETATM   31  C   UNL     1       6.133  -0.878  -0.528  1.00  0.00           C  
HETATM   32  C   UNL     1       7.599  -1.037   1.516  1.00  0.00           C  
HETATM   33  C   UNL     1       8.310  -3.075   1.367  1.00  0.00           C  
HETATM   34  C   UNL     1       7.478  -2.848   0.277  1.00  0.00           C  
HETATM   35  C   UNL     1       7.873  -5.069  -0.451  1.00  0.00           C  
HETATM   36  C   UNL     1       8.930  -4.397   1.499  1.00  0.00           C  
HETATM   37  C   UNL     1       4.670  -1.191  -0.125  1.00  0.00           C  
HETATM   38  N   UNL     1      -2.565   3.345  -0.341  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.624   5.443   0.473  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.852   5.258   1.071  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.041   3.225   0.930  1.00  0.00           N  
HETATM   42  N   UNL     1       7.039  -1.564   0.390  1.00  0.00           N  
HETATM   43  N   UNL     1       8.351  -1.931   2.089  1.00  0.00           N  
HETATM   44  N   UNL     1       7.271  -3.863  -0.621  1.00  0.00           N  
HETATM   45  N   UNL     1       7.640  -6.057  -1.370  1.00  0.00           N  
HETATM   46  N   UNL     1       8.662  -5.328   0.570  1.00  0.00           N  
HETATM   47  O   UNL     1       2.950   0.304   0.838  1.00  0.00           O  
HETATM   48  O   UNL     1       4.035   3.073   0.952  1.00  0.00           O  
HETATM   49  O   UNL     1       1.907   4.255  -0.054  1.00  0.00           O  
HETATM   50  O   UNL     1       1.793   0.353  -1.552  1.00  0.00           O  
HETATM   51  O   UNL     1      -0.598   2.908  -1.591  1.00  0.00           O  
HETATM   52  O   UNL     1      -0.201   5.030   1.204  1.00  0.00           O  
HETATM   53  O   UNL     1       4.140   5.426   0.045  1.00  0.00           O  
HETATM   54  O   UNL     1       3.891   3.561  -1.633  1.00  0.00           O  
HETATM   55  O   UNL     1       6.319   0.544  -0.428  1.00  0.00           O  
HETATM   56  O   UNL     1       9.675  -4.645   2.434  1.00  0.00           O  
HETATM   57  O   UNL     1       3.869  -1.228  -1.297  1.00  0.00           O  
HETATM   58  O   UNL     1       1.775  -2.033  -2.648  1.00  0.00           O  
HETATM   59  O   UNL     1       1.681  -1.749  -0.147  1.00  0.00           O  
HETATM   60  P   UNL     1       3.502   4.102  -0.166  1.00  0.00           P  
HETATM   61  P   UNL     1       2.267  -1.173  -1.375  1.00  0.00           P  
HETATM   62  H   UNL     1      -0.812   3.048   1.377  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.762   7.013   1.182  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.215  -3.114  -2.306  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.251  -6.598  -1.305  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.561  -7.199   0.659  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.031  -3.872   2.827  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.452  -5.847   2.708  1.00  0.00           H  
HETATM   69  H   UNL     1       0.646   0.716   0.134  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.252   0.526  -1.385  1.00  0.00           H  
HETATM   71  H   UNL     1       4.785  -0.068   1.736  1.00  0.00           H  
HETATM   72  H   UNL     1       4.503   1.393  -0.933  1.00  0.00           H  
HETATM   73  H   UNL     1       5.627   2.086   1.821  1.00  0.00           H  
HETATM   74  H   UNL     1       6.021   3.042   0.373  1.00  0.00           H  
HETATM   75  H   UNL     1       1.408   2.476   0.910  1.00  0.00           H  
HETATM   76  H   UNL     1       1.441   2.695  -1.881  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.212   4.805  -1.011  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.450   1.239  -0.882  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.708   0.307  -2.207  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.161  -1.674  -2.261  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.414  -2.346   1.735  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.644  -5.077  -2.404  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.359  -0.907   1.783  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.901   1.070   1.840  1.00  0.00           H  
HETATM   85  H   UNL     1       6.300  -1.207  -1.547  1.00  0.00           H  
HETATM   86  H   UNL     1       7.444  -0.030   1.875  1.00  0.00           H  
HETATM   87  H   UNL     1       4.618  -2.098   0.457  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.846   3.652   1.263  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.050   2.280   0.709  1.00  0.00           H  
HETATM   90  H   UNL     1       6.697  -3.716  -1.389  1.00  0.00           H  
HETATM   91  H   UNL     1       7.055  -5.889  -2.125  1.00  0.00           H  
HETATM   92  H   UNL     1       8.060  -6.925  -1.266  1.00  0.00           H  
HETATM   93  H   UNL     1       2.731   1.123   1.302  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.030   5.439   1.488  1.00  0.00           H  
HETATM   95  H   UNL     1       4.841   3.446  -1.771  1.00  0.00           H  
HETATM   96  H   UNL     1       0.815  -2.047  -2.765  1.00  0.00           H  
CONECT    1    4   41   40   40                                       
CONECT    2   16   14   52   62                                       
CONECT    3   39   39   40   63                                       
CONECT    4   18   30   30    1                                       
CONECT    5   27   27   23   64                                       
CONECT    6   26   26    7   65                                       
CONECT    7    6    9    9   66                                       
CONECT    8   25   25    9   67                                       
CONECT    9    7    7    8   68                                       
CONECT   10   50   15   69   70                                       
CONECT   11   47   37   12   71                                       
CONECT   12   11   55   13   72                                       
CONECT   13   12   48   73   74                                       
CONECT   14   15    2   49   75                                       
CONECT   15   51   10   14   76                                       
CONECT   16   51   38    2   77                                       
CONECT   17   18   18   38   78                                       
CONECT   18   19   17   17    4                                       
CONECT   19   29   29   20   18                                       
CONECT   20   19   21   21   79                                       
CONECT   21   22   20   20   80                                       
CONECT   22   28   28   23   21                                       
CONECT   23    5   22   24   24                                       
CONECT   24   23   23   25   81                                       
CONECT   25   26   24    8    8                                       
CONECT   26   27    6    6   25                                       
CONECT   27    5    5   26   82                                       
CONECT   28   22   22   29   83                                       
CONECT   29   28   19   19   84                                       
CONECT   30   38    4    4   39                                       
CONECT   31   37   42   55   85                                       
CONECT   32   42   43   43   86                                       
CONECT   33   34   34   36   43                                       
CONECT   34   44   42   33   33                                       
CONECT   35   45   44   46   46                                       
CONECT   36   46   33   56   56                                       
CONECT   37   57   11   31   87                                       
CONECT   38   17   16   30                                            
CONECT   39   30    3    3                                            
CONECT   40    1    1    3                                            
CONECT   41    1   88   89                                            
CONECT   42   31   34   32                                            
CONECT   43   33   32   32                                            
CONECT   44   35   34   90                                            
CONECT   45   35   91   92                                            
CONECT   46   35   35   36                                            
CONECT   47   11   93                                                 
CONECT   48   60   13                                                 
CONECT   49   14   60                                                 
CONECT   50   61   10                                                 
CONECT   51   16   15                                                 
CONECT   52    2   94                                                 
CONECT   53   60   60                                                 
CONECT   54   60   95                                                 
CONECT   55   31   12                                                 
CONECT   56   36   36                                                 
CONECT   57   61   37                                                 
CONECT   58   61   96                                                 
CONECT   59   61   61                                                 
CONECT   60   49   48   53   53                                       
CONECT   60   54                                                      
CONECT   61   59   59   58   50                                       
CONECT   61   57                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   24                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   37                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   52                                                      
CONECT   95   54                                                      
CONECT   96   58                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
