COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.860   1.941   0.550  1.00  0.00           C  
HETATM    2  C   UNL     1       5.569   0.789   0.171  1.00  0.00           C  
HETATM    3  C   UNL     1       3.511   0.514  -0.453  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.871  -0.219  -0.937  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.418  -0.628   0.115  1.00  0.00           C  
HETATM    6  N   UNL     1      -8.217  -1.278   0.985  1.00  0.00           N  
HETATM    7  C   UNL     1      -9.584  -1.409   0.716  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.505  -1.361   1.755  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.853  -1.490   1.486  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.023  -1.581  -0.590  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.373  -1.710  -0.852  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.287  -1.667   0.185  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.759  -1.809  -0.104  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.494  -0.551   0.364  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.968  -1.991  -1.609  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.310  -3.027   0.639  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.118  -0.432   0.410  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.250   0.274  -0.535  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.834   0.361   0.038  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.928   1.098  -0.950  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.610   1.314  -0.338  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.845   0.062  -0.281  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.136  -0.654   1.040  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.251  -0.838  -1.449  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.862   2.356  -1.053  1.00  0.00           C  
HETATM   26  C   UNL     1       0.191   2.959  -0.121  1.00  0.00           C  
HETATM   27  C   UNL     1       0.914   4.121  -0.829  1.00  0.00           C  
HETATM   28  O   UNL     1       0.730   5.339  -0.104  1.00  0.00           O  
HETATM   29  C   UNL     1       2.404   3.703  -0.822  1.00  0.00           C  
HETATM   30  O   UNL     1       3.246   4.819  -0.529  1.00  0.00           O  
HETATM   31  C   UNL     1       2.444   2.663   0.327  1.00  0.00           C  
HETATM   32  O   UNL     1       1.185   1.970   0.198  1.00  0.00           O  
HETATM   33  N   UNL     1       3.565   1.737   0.146  1.00  0.00           N  
HETATM   34  N   UNL     1       4.687  -0.043  -0.432  1.00  0.00           N  
HETATM   35  N   UNL     1       5.506   2.921   1.173  1.00  0.00           N  
HETATM   36  C   UNL     1       6.793   2.821   1.428  1.00  0.00           C  
HETATM   37  C   UNL     1       6.942   0.728   0.467  1.00  0.00           C  
HETATM   38  N   UNL     1       7.503   1.761   1.087  1.00  0.00           N  
HETATM   39  N   UNL     1       7.694  -0.379   0.114  1.00  0.00           N  
HETATM   40  C   UNL     1       9.125  -0.422   0.423  1.00  0.00           C  
HETATM   41  C   UNL     1       9.715  -1.745  -0.070  1.00  0.00           C  
HETATM   42  C   UNL     1      11.209  -1.789   0.254  1.00  0.00           C  
HETATM   43  C   UNL     1      11.799  -3.112  -0.240  1.00  0.00           C  
HETATM   44  N   UNL     1      13.230  -3.154   0.070  1.00  0.00           N  
HETATM   45  C   UNL     1      13.962  -4.232  -0.274  1.00  0.00           C  
HETATM   46  O   UNL     1      13.436  -5.167  -0.840  1.00  0.00           O  
HETATM   47  C   UNL     1      15.434  -4.276   0.045  1.00  0.00           C  
HETATM   48  H   UNL     1       2.622   0.069  -0.876  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.844  -1.654   1.797  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.166  -1.224   2.771  1.00  0.00           H  
HETATM   51  H   UNL     1     -12.570  -1.454   2.293  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.309  -1.614  -1.400  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.715  -1.843  -1.867  1.00  0.00           H  
HETATM   54  H   UNL     1     -14.101   0.318  -0.166  1.00  0.00           H  
HETATM   55  H   UNL     1     -15.559  -0.653   0.155  1.00  0.00           H  
HETATM   56  H   UNL     1     -14.345  -0.421   1.436  1.00  0.00           H  
HETATM   57  H   UNL     1     -13.445  -2.887  -1.942  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.033  -2.093  -1.818  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.575  -1.123  -2.138  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.161  -2.897   1.711  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.375  -3.129   0.430  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.787  -3.923   0.306  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.757  -0.758   1.249  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.226  -0.268  -1.481  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.637   1.280  -0.702  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.858   0.903   0.984  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.448  -0.645   0.205  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.815   0.501  -1.854  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.373   2.060  -1.202  1.00  0.00           H  
HETATM   70  H   UNL     1       0.221   0.283  -0.346  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.178  -0.974   1.058  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.487  -1.526   1.132  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.950   0.026   1.871  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.017  -0.340  -2.390  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.704  -1.779  -1.390  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.322  -1.036  -1.400  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.371   1.919  -1.922  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.548   3.138  -1.379  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.283   3.316   0.793  1.00  0.00           H  
HETATM   80  H   UNL     1       0.553   4.229  -1.852  1.00  0.00           H  
HETATM   81  H   UNL     1       1.164   6.105  -0.505  1.00  0.00           H  
HETATM   82  H   UNL     1       2.684   3.244  -1.770  1.00  0.00           H  
HETATM   83  H   UNL     1       3.187   5.537  -1.175  1.00  0.00           H  
HETATM   84  H   UNL     1       2.510   3.162   1.294  1.00  0.00           H  
HETATM   85  H   UNL     1       7.287   3.636   1.936  1.00  0.00           H  
HETATM   86  H   UNL     1       7.273  -1.127  -0.339  1.00  0.00           H  
HETATM   87  H   UNL     1       9.629   0.408  -0.072  1.00  0.00           H  
HETATM   88  H   UNL     1       9.266  -0.340   1.501  1.00  0.00           H  
HETATM   89  H   UNL     1       9.211  -2.574   0.426  1.00  0.00           H  
HETATM   90  H   UNL     1       9.573  -1.826  -1.148  1.00  0.00           H  
HETATM   91  H   UNL     1      11.713  -0.959  -0.242  1.00  0.00           H  
HETATM   92  H   UNL     1      11.350  -1.708   1.331  1.00  0.00           H  
HETATM   93  H   UNL     1      11.295  -3.941   0.256  1.00  0.00           H  
HETATM   94  H   UNL     1      11.658  -3.193  -1.317  1.00  0.00           H  
HETATM   95  H   UNL     1      13.651  -2.407   0.523  1.00  0.00           H  
HETATM   96  H   UNL     1      15.724  -3.355   0.550  1.00  0.00           H  
HETATM   97  H   UNL     1      15.640  -5.127   0.694  1.00  0.00           H  
HETATM   98  H   UNL     1      16.003  -4.378  -0.879  1.00  0.00           H  
CONECT    1    2    2   33   35                                       
CONECT    2   37   34    1    1                                       
CONECT    3   34   34   33   48                                       
CONECT    4    5    5                                                 
CONECT    5   17    4    4    6                                       
CONECT    6    5    7   49                                            
CONECT    7    6   10   10    8                                       
CONECT    8    7    9    9   50                                       
CONECT    9    8    8   12   51                                       
CONECT   10    7    7   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11    9   13                                       
CONECT   13   12   16   14   15                                       
CONECT   14   13   54   55   56                                       
CONECT   15   13   57   58   59                                       
CONECT   16   13   60   61   62                                       
CONECT   17   18    5   63                                            
CONECT   18   19   17   64   65                                       
CONECT   19   20   18   66   67                                       
CONECT   20   21   19   68   69                                       
CONECT   21   25   22   20                                            
CONECT   22   21   23   24   70                                       
CONECT   23   22   71   72   73                                       
CONECT   24   22   74   75   76                                       
CONECT   25   26   21   77   78                                       
CONECT   26   27   32   25   79                                       
CONECT   27   29   28   26   80                                       
CONECT   28   27   81                                                 
CONECT   29   30   27   31   82                                       
CONECT   30   29   83                                                 
CONECT   31   29   33   32   84                                       
CONECT   32   31   26                                                 
CONECT   33    3    1   31                                            
CONECT   34    2    3    3                                            
CONECT   35   36   36    1                                            
CONECT   36   38   35   35   85                                       
CONECT   37   39   38   38    2                                       
CONECT   38   37   37   36                                            
CONECT   39   40   37   86                                            
CONECT   40   41   39   87   88                                       
CONECT   41   42   40   89   90                                       
CONECT   42   41   43   91   92                                       
CONECT   43   42   44   93   94                                       
CONECT   44   45   43   95                                            
CONECT   45   47   44   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   45   96   97   98                                       
CONECT   48    3                                                      
CONECT   49    6                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
