COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      11.297  -1.619   0.211  1.00  0.00           C  
HETATM    2  C   UNK A   0      12.479  -1.237   1.104  1.00  0.00           C  
HETATM    3  C   UNK A   1      -0.035   1.820  -4.725  1.00  0.00           C  
HETATM    4  C   UNK A   0       8.974  -1.002  -0.473  1.00  0.00           C  
HETATM    5  C   UNK A   0       7.834  -0.004  -0.264  1.00  0.00           C  
HETATM    6  N   UNK A   1       0.900   1.596  -2.496  1.00  0.00           N  
HETATM    7  C   UNK A   0       3.189   1.230  -1.633  1.00  0.00           C  
HETATM    8  C   UNK A   0       4.329   0.231  -1.842  1.00  0.00           C  
HETATM    9  C   UNK A   0       5.511   0.613  -0.949  1.00  0.00           C  
HETATM   10  C   UNK A   0       6.652  -0.386  -1.158  1.00  0.00           C  
HETATM   11  C   UNK A   0      10.156  -0.620   0.420  1.00  0.00           C  
HETATM   12  C   UNK A   0      17.124  -2.470   2.473  1.00  0.00           C  
HETATM   13  C   UNK A   0      15.941  -2.852   1.580  1.00  0.00           C  
HETATM   14  C   UNK A   0      14.801  -1.854   1.788  1.00  0.00           C  
HETATM   15  C   UNK A   0      13.619  -2.236   0.895  1.00  0.00           C  
HETATM   16  C   UNK A   0       2.024   0.853  -2.513  1.00  0.00           C  
HETATM   17  C   UNK A   1      -0.232   1.230  -3.352  1.00  0.00           C  
HETATM   18  C   UNK A   1      -4.741   1.672   0.963  1.00  0.00           C  
HETATM   19  C   UNK A   1      -4.687   1.533   2.485  1.00  0.00           C  
HETATM   20  C   UNK A   1      -1.527   1.774  -2.744  1.00  0.00           C  
HETATM   21  C   UNK A   1      -1.791   1.083  -1.405  1.00  0.00           C  
HETATM   22  C   UNK A   1      -3.066   1.618  -0.806  1.00  0.00           C  
HETATM   23  C   UNK A   1      -5.914   0.891   0.428  1.00  0.00           C  
HETATM   24  C   UNK A   1      -3.591   2.411   3.031  1.00  0.00           C  
HETATM   25  C   UNK A   1      -3.868   3.717   3.391  1.00  0.00           C  
HETATM   26  C   UNK A   1      -2.865   4.524   3.892  1.00  0.00           C  
HETATM   27  C   UNK A   1      -1.579   4.024   4.034  1.00  0.00           C  
HETATM   28  C   UNK A   1      -1.304   2.713   3.672  1.00  0.00           C  
HETATM   29  C   UNK A   1      -2.312   1.908   3.177  1.00  0.00           C  
HETATM   30  C   UNK A   1      -7.049  -2.625   0.446  1.00  0.00           C  
HETATM   31  C   UNK A   1      -7.954   0.852  -0.872  1.00  0.00           C  
HETATM   32  C   UNK A   1      -7.767  -0.666  -0.921  1.00  0.00           C  
HETATM   33  C   UNK A   1      -7.281  -1.137   0.463  1.00  0.00           C  
HETATM   34  C   UNK A   1      -7.867  -4.918   0.551  1.00  0.00           C  
HETATM   35  C   UNK A   1      -9.185  -5.633   0.703  1.00  0.00           C  
HETATM   36  N   UNK A   1      -3.501   1.151   0.381  1.00  0.00           N  
HETATM   37  N   UNK A   1      -6.776   1.496  -0.302  1.00  0.00           N  
HETATM   38  N   UNK A   1      -6.014  -0.440   0.737  1.00  0.00           N  
HETATM   39  N   UNK A   1      -8.092  -3.471   0.568  1.00  0.00           N  
HETATM   40  N   UNK A   1      -9.224  -6.980   0.715  1.00  0.00           N  
HETATM   41  O   UNK A   0       2.099  -0.118  -3.236  1.00  0.00           O  
HETATM   42  O   UNK A   1       0.949   2.478  -4.964  1.00  0.00           O  
HETATM   43  O   UNK A   1      -0.954   1.614  -5.681  1.00  0.00           O  
HETATM   44  O   UNK A   1      -3.701   2.469  -1.393  1.00  0.00           O  
HETATM   45  O   UNK A   1      -0.590   4.816   4.526  1.00  0.00           O  
HETATM   46  O   UNK A   1      -5.925  -3.063   0.322  1.00  0.00           O  
HETATM   47  O   UNK A   1     -10.211  -4.996   0.814  1.00  0.00           O  
HETATM   48  H   UNK A   0      11.609  -1.600  -0.833  1.00  0.00           H  
HETATM   49  H   UNK A   0      10.954  -2.621   0.470  1.00  0.00           H  
HETATM   50  H   UNK A   0      12.821  -0.235   0.845  1.00  0.00           H  
HETATM   51  H   UNK A   0      12.166  -1.255   2.148  1.00  0.00           H  
HETATM   52  H   UNK A   0       8.632  -2.004  -0.214  1.00  0.00           H  
HETATM   53  H   UNK A   0       9.287  -0.984  -1.517  1.00  0.00           H  
HETATM   54  H   UNK A   0       7.521  -0.022   0.780  1.00  0.00           H  
HETATM   55  H   UNK A   0       8.176   0.998  -0.524  1.00  0.00           H  
HETATM   56  H   UNK A   1       0.840   2.373  -1.918  1.00  0.00           H  
HETATM   57  H   UNK A   0       2.876   1.211  -0.589  1.00  0.00           H  
HETATM   58  H   UNK A   0       3.531   2.231  -1.892  1.00  0.00           H  
HETATM   59  H   UNK A   0       3.987  -0.771  -1.583  1.00  0.00           H  
HETATM   60  H   UNK A   0       4.642   0.250  -2.886  1.00  0.00           H  
HETATM   61  H   UNK A   0       5.854   1.615  -1.208  1.00  0.00           H  
HETATM   62  H   UNK A   0       5.199   0.594   0.095  1.00  0.00           H  
HETATM   63  H   UNK A   0       6.964  -0.367  -2.202  1.00  0.00           H  
HETATM   64  H   UNK A   0       6.309  -1.388  -0.899  1.00  0.00           H  
HETATM   65  H   UNK A   0       9.844  -0.639   1.464  1.00  0.00           H  
HETATM   66  H   UNK A   0      10.499   0.382   0.161  1.00  0.00           H  
HETATM   67  H   UNK A   0      17.936  -3.182   2.324  1.00  0.00           H  
HETATM   68  H   UNK A   0      17.466  -1.468   2.214  1.00  0.00           H  
HETATM   69  H   UNK A   0      16.811  -2.489   3.517  1.00  0.00           H  
HETATM   70  H   UNK A   0      16.254  -2.834   0.536  1.00  0.00           H  
HETATM   71  H   UNK A   0      15.599  -3.854   1.839  1.00  0.00           H  
HETATM   72  H   UNK A   0      14.489  -1.872   2.833  1.00  0.00           H  
HETATM   73  H   UNK A   0      15.144  -0.852   1.530  1.00  0.00           H  
HETATM   74  H   UNK A   0      13.277  -3.237   1.155  1.00  0.00           H  
HETATM   75  H   UNK A   0      13.932  -2.217  -0.149  1.00  0.00           H  
HETATM   76  H   UNK A   1      -0.294   0.145  -3.428  1.00  0.00           H  
HETATM   77  H   UNK A   1      -4.854   2.723   0.697  1.00  0.00           H  
HETATM   78  H   UNK A   1      -5.643   1.837   2.912  1.00  0.00           H  
HETATM   79  H   UNK A   1      -4.486   0.495   2.749  1.00  0.00           H  
HETATM   80  H   UNK A   1      -1.431   2.848  -2.586  1.00  0.00           H  
HETATM   81  H   UNK A   1      -2.356   1.580  -3.423  1.00  0.00           H  
HETATM   82  H   UNK A   1      -1.887   0.009  -1.563  1.00  0.00           H  
HETATM   83  H   UNK A   1      -0.961   1.277  -0.725  1.00  0.00           H  
HETATM   84  H   UNK A   1      -4.869   4.107   3.280  1.00  0.00           H  
HETATM   85  H   UNK A   1      -3.082   5.545   4.173  1.00  0.00           H  
HETATM   86  H   UNK A   1      -0.304   2.321   3.781  1.00  0.00           H  
HETATM   87  H   UNK A   1      -2.099   0.886   2.900  1.00  0.00           H  
HETATM   88  H   UNK A   1      -8.113   1.228  -1.883  1.00  0.00           H  
HETATM   89  H   UNK A   1      -8.825   1.088  -0.261  1.00  0.00           H  
HETATM   90  H   UNK A   1      -8.717  -1.145  -1.158  1.00  0.00           H  
HETATM   91  H   UNK A   1      -7.027  -0.920  -1.680  1.00  0.00           H  
HETATM   92  H   UNK A   1      -8.022  -0.885   1.222  1.00  0.00           H  
HETATM   93  H   UNK A   1      -7.208  -5.193   1.374  1.00  0.00           H  
HETATM   94  H   UNK A   1      -7.406  -5.204  -0.395  1.00  0.00           H  
HETATM   95  H   UNK A   1      -2.994   0.471   0.850  1.00  0.00           H  
HETATM   96  H   UNK A   1      -5.264  -0.914   1.128  1.00  0.00           H  
HETATM   97  H   UNK A   1      -8.991  -3.121   0.666  1.00  0.00           H  
HETATM   98  H   UNK A   1      -8.403  -7.490   0.626  1.00  0.00           H  
HETATM   99  H   UNK A   1     -10.072  -7.440   0.813  1.00  0.00           H  
HETATM  100  H   UNK A   1      -0.784   2.012  -6.546  1.00  0.00           H  
HETATM  101  H   UNK A   1      -0.499   4.778   5.488  1.00  0.00           H  
CONECT    1   11    2   48   49                                       
CONECT    2    1   15   50   51                                       
CONECT    3   42   42   43   17                                       
CONECT    4    5   11   52   53                                       
CONECT    5   10    4   54   55                                       
CONECT    6   17   16   56                                            
CONECT    7   16    8   57   58                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9    5   63   64                                       
CONECT   11    4    1   65   66                                       
CONECT   12   13   67   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   15   13   72   73                                       
CONECT   15    2   14   74   75                                       
CONECT   16    6   41   41    7                                       
CONECT   17    3   20    6   76                                       
CONECT   18   19   23   36   77                                       
CONECT   19   24   18   78   79                                       
CONECT   20   21   17   80   81                                       
CONECT   21   22   20   82   83                                       
CONECT   22   36   44   44   21                                       
CONECT   23   37   37   38   18                                       
CONECT   24   19   29   29   25                                       
CONECT   25   24   26   26   84                                       
CONECT   26   25   25   27   85                                       
CONECT   27   28   28   26   45                                       
CONECT   28   29   27   27   86                                       
CONECT   29   24   24   28   87                                       
CONECT   30   46   46   39   33                                       
CONECT   31   32   37   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   30   32   38   92                                       
CONECT   34   35   39   93   94                                       
CONECT   35   47   47   40   34                                       
CONECT   36   18   22   95                                            
CONECT   37   31   23   23                                            
CONECT   38   33   23   96                                            
CONECT   39   30   34   97                                            
CONECT   40   35   98   99                                            
CONECT   41   16   16                                                 
CONECT   42    3    3                                                 
CONECT   43    3  100                                                 
CONECT   44   22   22                                                 
CONECT   45   27  101                                                 
CONECT   46   30   30                                                 
CONECT   47   35   35                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   36                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   43                                                      
CONECT  101   45                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
