COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.029   3.612   2.184  1.00  0.00           N  
HETATM    2  C   UNL     1       7.999   3.393   1.160  1.00  0.00           C  
HETATM    3  C   UNL     1       7.077   2.286   1.604  1.00  0.00           C  
HETATM    4  O   UNL     1       7.260   1.734   2.667  1.00  0.00           O  
HETATM    5  C   UNL     1       8.666   3.003  -0.160  1.00  0.00           C  
HETATM    6  N   UNL     1       6.049   1.911   0.817  1.00  0.00           N  
HETATM    7  C   UNL     1       5.153   0.835   1.248  1.00  0.00           C  
HETATM    8  C   UNL     1       4.519   0.194   0.040  1.00  0.00           C  
HETATM    9  O   UNL     1       4.790   0.597  -1.072  1.00  0.00           O  
HETATM   10  C   UNL     1       4.060   1.411   2.151  1.00  0.00           C  
HETATM   11  N   UNL     1       3.652  -0.826   0.195  1.00  0.00           N  
HETATM   12  C   UNL     1       3.037  -1.449  -0.980  1.00  0.00           C  
HETATM   13  C   UNL     1       1.707  -2.091  -0.579  1.00  0.00           C  
HETATM   14  O   UNL     1       1.941  -3.085   0.420  1.00  0.00           O  
HETATM   15  C   UNL     1       3.974  -2.522  -1.538  1.00  0.00           C  
HETATM   16  C   UNL     1       5.235  -1.873  -2.046  1.00  0.00           C  
HETATM   17  C   UNL     1       6.314  -1.701  -1.198  1.00  0.00           C  
HETATM   18  C   UNL     1       5.317  -1.455  -3.361  1.00  0.00           C  
HETATM   19  C   UNL     1       7.471  -1.106  -1.664  1.00  0.00           C  
HETATM   20  C   UNL     1       6.474  -0.860  -3.827  1.00  0.00           C  
HETATM   21  C   UNL     1       7.550  -0.683  -2.978  1.00  0.00           C  
HETATM   22  C   UNL     1       0.771  -1.017  -0.021  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.614  -1.623   0.218  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.584  -0.529   0.583  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.626  -0.111   1.721  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.536  -2.638   1.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.891  -3.265   1.568  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.255  -4.382   0.840  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.767  -2.726   2.491  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.498  -4.957   1.031  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.010  -3.300   2.682  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.376  -4.414   1.950  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.405  -0.016  -0.354  1.00  0.00           N  
HETATM   34  C   UNL     1      -3.270   1.120  -0.027  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.588   0.971  -0.743  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.643   0.362  -1.791  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.595   2.420  -0.469  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.452   3.612  -0.040  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.214   2.524   0.183  1.00  0.00           C  
HETATM   40  N   UNL     1      -5.705   1.514  -0.220  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.003   1.272  -0.853  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.946   2.398  -0.514  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.571   3.309   0.186  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.582  -0.049  -0.342  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.938  -0.302  -1.004  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.626  -1.192  -0.687  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.053   3.505  -0.621  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.201   2.389  -0.988  1.00  0.00           O  
HETATM   49  H   UNL     1       9.660   4.350   1.910  1.00  0.00           H  
HETATM   50  H   UNL     1       8.611   3.807   3.082  1.00  0.00           H  
HETATM   51  H   UNL     1       7.425   4.310   1.021  1.00  0.00           H  
HETATM   52  H   UNL     1       9.239   2.087  -0.021  1.00  0.00           H  
HETATM   53  H   UNL     1       7.901   2.841  -0.920  1.00  0.00           H  
HETATM   54  H   UNL     1       9.333   3.804  -0.481  1.00  0.00           H  
HETATM   55  H   UNL     1       5.902   2.352  -0.033  1.00  0.00           H  
HETATM   56  H   UNL     1       5.722   0.086   1.800  1.00  0.00           H  
HETATM   57  H   UNL     1       3.394   0.611   2.472  1.00  0.00           H  
HETATM   58  H   UNL     1       4.518   1.874   3.025  1.00  0.00           H  
HETATM   59  H   UNL     1       3.491   2.159   1.600  1.00  0.00           H  
HETATM   60  H   UNL     1       3.436  -1.148   1.084  1.00  0.00           H  
HETATM   61  H   UNL     1       2.859  -0.690  -1.742  1.00  0.00           H  
HETATM   62  H   UNL     1       1.249  -2.554  -1.453  1.00  0.00           H  
HETATM   63  H   UNL     1       2.347  -2.744   1.228  1.00  0.00           H  
HETATM   64  H   UNL     1       4.222  -3.233  -0.750  1.00  0.00           H  
HETATM   65  H   UNL     1       3.480  -3.046  -2.356  1.00  0.00           H  
HETATM   66  H   UNL     1       6.252  -2.032  -0.172  1.00  0.00           H  
HETATM   67  H   UNL     1       4.476  -1.594  -4.024  1.00  0.00           H  
HETATM   68  H   UNL     1       8.313  -0.971  -1.002  1.00  0.00           H  
HETATM   69  H   UNL     1       6.537  -0.534  -4.854  1.00  0.00           H  
HETATM   70  H   UNL     1       8.454  -0.218  -3.342  1.00  0.00           H  
HETATM   71  H   UNL     1       1.170  -0.640   0.920  1.00  0.00           H  
HETATM   72  H   UNL     1       0.690  -0.198  -0.736  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.954  -2.122  -0.690  1.00  0.00           H  
HETATM   74  H   UNL     1       0.188  -3.413   1.108  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.225  -2.134   2.274  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.569  -4.806   0.121  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.481  -1.855   3.063  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.783  -5.829   0.461  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.695  -2.879   3.403  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.347  -4.863   2.099  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.423  -0.398  -1.245  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.443   1.148   1.049  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.485   2.422  -1.553  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.557   3.613   1.045  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.973   4.538  -0.359  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.437   3.536  -0.500  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.603   1.675  -0.123  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.733   3.450  -0.132  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.323   2.522   1.268  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.649   2.065   0.577  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.876   1.218  -1.934  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.710   0.004   0.739  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.811  -0.355  -2.085  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.351  -1.243  -0.640  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.620   0.513  -0.758  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.659  -1.012  -0.215  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.038  -2.133  -0.323  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.498  -1.246  -1.768  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.151   3.546   0.464  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.611   4.434  -0.982  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.038   3.374  -1.069  1.00  0.00           H  
CONECT    1    2   49   50                                            
CONECT    2    1    3    5   51                                       
CONECT    3    2    4    4    6                                       
CONECT    4    3    3                                                 
CONECT    5    2   52   53   54                                       
CONECT    6    7   55    3                                            
CONECT    7    6    8   10   56                                       
CONECT    8    7    9    9   11                                       
CONECT    9    8    8                                                 
CONECT   10    7   57   58   59                                       
CONECT   11   12   60    8                                            
CONECT   12   11   13   15   61                                       
CONECT   13   12   14   22   62                                       
CONECT   14   13   63                                                 
CONECT   15   12   16   64   65                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   66                                       
CONECT   18   16   20   20   67                                       
CONECT   19   17   21   21   68                                       
CONECT   20   18   18   21   69                                       
CONECT   21   19   19   20   70                                       
CONECT   22   13   23   71   72                                       
CONECT   23   22   24   26   73                                       
CONECT   24   23   25   25   33                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   74   75                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   30   76                                       
CONECT   29   27   31   31   77                                       
CONECT   30   28   32   32   78                                       
CONECT   31   29   29   32   79                                       
CONECT   32   30   30   31   80                                       
CONECT   33   34   81   24                                            
CONECT   34   33   35   37   82                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   39   83                                       
CONECT   38   37   84   85   86                                       
CONECT   39   37   87   88   89                                       
CONECT   40   41   90   35                                            
CONECT   41   40   42   44   91                                       
CONECT   42   41   43   43   48                                       
CONECT   43   42   42                                                 
CONECT   44   41   45   46   92                                       
CONECT   45   44   93   94   95                                       
CONECT   46   44   96   97   98                                       
CONECT   47   48   99  100  101                                       
CONECT   48   42   47                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   47                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
