COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.193   0.983   0.802  1.00  0.00           C  
HETATM    2  C   UNL     1       1.405  -2.290   1.758  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.228   0.569  -0.313  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.997  -0.942  -0.255  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.751  -2.564   0.441  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.134  -1.372  -1.442  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.804  -2.838  -1.319  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.566  -3.216  -1.117  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.500  -2.188  -0.839  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.669  -1.520   0.725  1.00  0.00           C  
HETATM   11  C   UNL     1       0.148  -1.954   1.914  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.381   2.503   0.772  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.544   0.297   0.589  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.917   2.894  -0.493  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.021   3.178   0.985  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.524   2.901   2.405  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.042   2.605  -0.017  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.353   3.329  -0.696  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.962   1.263  -0.131  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.850  -1.146  -2.658  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.518  -2.142  -2.010  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.669  -2.607   1.536  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.327  -0.172   1.022  1.00  0.00           C  
HETATM   24  C   UNL     1       2.203  -2.789   2.934  1.00  0.00           C  
HETATM   25  C   UNL     1       2.053  -2.176   0.402  1.00  0.00           C  
HETATM   26  C   UNL     1       2.780  -0.834   0.295  1.00  0.00           C  
HETATM   27  C   UNL     1       1.761   0.305   0.353  1.00  0.00           C  
HETATM   28  C   UNL     1       3.542  -0.771  -1.030  1.00  0.00           C  
HETATM   29  O   UNL     1       2.618  -0.878  -2.115  1.00  0.00           O  
HETATM   30  C   UNL     1       4.288   0.561  -1.126  1.00  0.00           C  
HETATM   31  C   UNL     1       4.941   0.682  -2.505  1.00  0.00           C  
HETATM   32  C   UNL     1       5.369   0.619  -0.044  1.00  0.00           C  
HETATM   33  O   UNL     1       6.373  -0.396  -0.308  1.00  0.00           O  
HETATM   34  C   UNL     1       6.300  -1.530   0.414  1.00  0.00           C  
HETATM   35  O   UNL     1       5.447  -1.650   1.271  1.00  0.00           O  
HETATM   36  N   UNL     1       7.172  -2.531   0.186  1.00  0.00           N  
HETATM   37  C   UNL     1       6.026   2.001  -0.054  1.00  0.00           C  
HETATM   38  C   UNL     1       4.968   3.071   0.224  1.00  0.00           C  
HETATM   39  C   UNL     1       7.090   2.059   1.012  1.00  0.00           C  
HETATM   40  C   UNL     1       8.328   2.420   0.696  1.00  0.00           C  
HETATM   41  C   UNL     1       8.631   2.895  -0.664  1.00  0.00           C  
HETATM   42  C   UNL     1       9.847   3.344  -0.955  1.00  0.00           C  
HETATM   43  H   UNL     1      -6.783   0.686   1.767  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.654   0.835  -1.281  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.489  -1.196   0.675  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.957  -1.458  -0.297  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.288  -3.543   0.317  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.212  -0.792  -1.450  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.589  -3.576  -1.397  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.310  -4.264  -1.151  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.964  -1.209  -0.714  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.021  -1.424  -0.146  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.302  -1.989   2.895  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.065   2.801   1.567  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.953   0.593  -0.377  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.410  -0.785   0.609  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.231   0.593   1.381  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.062   3.846  -0.582  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.116   4.253   0.832  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.421   1.826   2.551  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.557   3.382   2.553  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.241   3.298   3.124  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.644  -1.689  -2.754  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.054  -3.121  -2.135  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.051  -1.873  -2.922  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.747  -1.398  -1.808  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.119  -1.768   1.705  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.556   0.589   1.146  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.981   0.104   0.195  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.913  -0.248   1.939  1.00  0.00           H  
HETATM   71  H   UNL     1       2.680  -1.946   3.434  1.00  0.00           H  
HETATM   72  H   UNL     1       1.540  -3.299   3.633  1.00  0.00           H  
HETATM   73  H   UNL     1       2.967  -3.484   2.586  1.00  0.00           H  
HETATM   74  H   UNL     1       2.767  -2.988   0.271  1.00  0.00           H  
HETATM   75  H   UNL     1       1.288  -2.236  -0.372  1.00  0.00           H  
HETATM   76  H   UNL     1       3.483  -0.735   1.123  1.00  0.00           H  
HETATM   77  H   UNL     1       1.009   0.160  -0.423  1.00  0.00           H  
HETATM   78  H   UNL     1       1.278   0.312   1.330  1.00  0.00           H  
HETATM   79  H   UNL     1       2.269   1.256   0.193  1.00  0.00           H  
HETATM   80  H   UNL     1       4.256  -1.592  -1.079  1.00  0.00           H  
HETATM   81  H   UNL     1       1.952  -0.178  -2.135  1.00  0.00           H  
HETATM   82  H   UNL     1       3.586   1.383  -0.984  1.00  0.00           H  
HETATM   83  H   UNL     1       5.579  -0.184  -2.682  1.00  0.00           H  
HETATM   84  H   UNL     1       4.166   0.725  -3.271  1.00  0.00           H  
HETATM   85  H   UNL     1       5.541   1.591  -2.545  1.00  0.00           H  
HETATM   86  H   UNL     1       4.916   0.439   0.931  1.00  0.00           H  
HETATM   87  H   UNL     1       7.853  -2.435  -0.498  1.00  0.00           H  
HETATM   88  H   UNL     1       7.120  -3.348   0.706  1.00  0.00           H  
HETATM   89  H   UNL     1       6.478   2.182  -1.029  1.00  0.00           H  
HETATM   90  H   UNL     1       5.436   4.055   0.218  1.00  0.00           H  
HETATM   91  H   UNL     1       4.198   3.029  -0.547  1.00  0.00           H  
HETATM   92  H   UNL     1       4.515   2.890   1.199  1.00  0.00           H  
HETATM   93  H   UNL     1       6.845   1.806   2.033  1.00  0.00           H  
HETATM   94  H   UNL     1       9.113   2.365   1.436  1.00  0.00           H  
HETATM   95  H   UNL     1       7.865   2.878  -1.425  1.00  0.00           H  
HETATM   96  H   UNL     1      10.613   3.361  -0.194  1.00  0.00           H  
HETATM   97  H   UNL     1      10.070   3.692  -1.952  1.00  0.00           H  
CONECT    1    3   13   12   43                                       
CONECT    2   11   11   25   24                                       
CONECT    3    4   19    1   44                                       
CONECT    4    6    3   45   46                                       
CONECT    5   22    9   10   47                                       
CONECT    6   20    7    4   48                                       
CONECT    7    8    8    6   49                                       
CONECT    8    9    7    7   50                                       
CONECT    9   21    8    5   51                                       
CONECT   10    5   23   11   52                                       
CONECT   11   10    2    2   53                                       
CONECT   12   14    1   15   54                                       
CONECT   13    1   55   56   57                                       
CONECT   14   12   58                                                 
CONECT   15   17   12   16   59                                       
CONECT   16   15   60   61   62                                       
CONECT   17   19   18   18   15                                       
CONECT   18   17   17                                                 
CONECT   19    3   17                                                 
CONECT   20    6   63                                                 
CONECT   21    9   64   65   66                                       
CONECT   22    5   67                                                 
CONECT   23   10   68   69   70                                       
CONECT   24    2   71   72   73                                       
CONECT   25    2   26   74   75                                       
CONECT   26   25   28   27   76                                       
CONECT   27   26   77   78   79                                       
CONECT   28   26   30   29   80                                       
CONECT   29   28   81                                                 
CONECT   30   32   28   31   82                                       
CONECT   31   30   83   84   85                                       
CONECT   32   37   33   30   86                                       
CONECT   33   32   34                                                 
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   34   87   88                                            
CONECT   37   39   38   32   89                                       
CONECT   38   37   90   91   92                                       
CONECT   39   40   40   37   93                                       
CONECT   40   41   39   39   94                                       
CONECT   41   42   42   40   95                                       
CONECT   42   41   41   96   97                                       
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
