COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.276   0.510  -0.600  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.059   1.221   0.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.486   1.873   1.322  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.536  -3.370  -0.873  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.008  -4.500   0.005  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.162  -2.177  -0.831  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.864  -0.108  -1.937  1.00  0.00           C  
HETATM    8  C   UNL     1       6.267  -2.710   2.688  1.00  0.00           C  
HETATM    9  C   UNL     1       5.646  -2.626   1.318  1.00  0.00           C  
HETATM   10  O   UNL     1       5.494  -3.632   0.659  1.00  0.00           O  
HETATM   11  N   UNL     1       5.259  -1.433   0.825  1.00  0.00           N  
HETATM   12  C   UNL     1       4.655  -1.351  -0.507  1.00  0.00           C  
HETATM   13  C   UNL     1       5.759  -1.264  -1.562  1.00  0.00           C  
HETATM   14  O   UNL     1       6.634  -2.386  -1.426  1.00  0.00           O  
HETATM   15  C   UNL     1       7.640  -2.464  -2.438  1.00  0.00           C  
HETATM   16  O   UNL     1       6.506  -0.055  -1.390  1.00  0.00           O  
HETATM   17  C   UNL     1       5.714   1.122  -1.525  1.00  0.00           C  
HETATM   18  C   UNL     1       6.567   2.383  -1.380  1.00  0.00           C  
HETATM   19  O   UNL     1       5.698   3.522  -1.420  1.00  0.00           O  
HETATM   20  C   UNL     1       4.671   3.516  -0.427  1.00  0.00           C  
HETATM   21  C   UNL     1       3.777   4.744  -0.613  1.00  0.00           C  
HETATM   22  C   UNL     1       5.301   3.561   0.941  1.00  0.00           C  
HETATM   23  O   UNL     1       5.172   2.627   1.697  1.00  0.00           O  
HETATM   24  O   UNL     1       6.006   4.638   1.321  1.00  0.00           O  
HETATM   25  O   UNL     1       3.878   2.329  -0.546  1.00  0.00           O  
HETATM   26  C   UNL     1       4.646   1.132  -0.424  1.00  0.00           C  
HETATM   27  C   UNL     1       3.764  -0.106  -0.588  1.00  0.00           C  
HETATM   28  O   UNL     1       2.789  -0.142   0.456  1.00  0.00           O  
HETATM   29  C   UNL     1       1.563  -0.776   0.084  1.00  0.00           C  
HETATM   30  C   UNL     1       0.645  -0.868   1.306  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.689  -1.493   0.886  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.579  -1.516   2.004  1.00  0.00           O  
HETATM   33  N   UNL     1       1.276  -1.704   2.330  1.00  0.00           N  
HETATM   34  C   UNL     1       2.151  -1.160   3.198  1.00  0.00           C  
HETATM   35  O   UNL     1       2.416   0.022   3.132  1.00  0.00           O  
HETATM   36  C   UNL     1       2.801  -2.019   4.252  1.00  0.00           C  
HETATM   37  O   UNL     1       0.920  -0.008  -0.936  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.309  -0.569  -1.401  1.00  0.00           C  
HETATM   39  C   UNL     1      -0.889   0.317  -2.505  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.015   0.304  -3.635  1.00  0.00           O  
HETATM   41  C   UNL     1      -1.302  -0.654  -0.239  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.512  -1.268  -0.688  1.00  0.00           O  
HETATM   43  C   UNL     1      -3.556  -0.340  -0.994  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.022   0.265   0.216  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.596   2.740   1.055  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.717   2.094   0.450  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.803   3.131   0.157  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.262   1.052   1.392  1.00  0.00           C  
HETATM   49  O   UNL     1      -8.213  -0.118   1.093  1.00  0.00           O  
HETATM   50  O   UNL     1      -8.802   1.423   2.564  1.00  0.00           O  
HETATM   51  O   UNL     1      -7.321   1.466  -0.775  1.00  0.00           O  
HETATM   52  O   UNL     1      -6.970  -0.818  -2.499  1.00  0.00           O  
HETATM   53  C   UNL     1      -4.703  -1.079  -1.685  1.00  0.00           C  
HETATM   54  O   UNL     1      -3.592  -3.534  -1.617  1.00  0.00           O  
HETATM   55  H   UNL     1      -6.612  -0.277   0.076  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.708   1.989  -0.682  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.784   1.103   2.034  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.658   2.451   1.731  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.762  -5.082  -0.526  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.164  -5.142   0.257  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.441  -4.093   0.919  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.917  -2.046  -0.236  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.543   0.678  -2.620  1.00  0.00           H  
HETATM   64  H   UNL     1       6.320  -1.712   3.125  1.00  0.00           H  
HETATM   65  H   UNL     1       5.658  -3.352   3.325  1.00  0.00           H  
HETATM   66  H   UNL     1       7.271  -3.125   2.607  1.00  0.00           H  
HETATM   67  H   UNL     1       5.380  -0.628   1.353  1.00  0.00           H  
HETATM   68  H   UNL     1       4.051  -2.241  -0.687  1.00  0.00           H  
HETATM   69  H   UNL     1       5.311  -1.273  -2.556  1.00  0.00           H  
HETATM   70  H   UNL     1       7.167  -2.542  -3.416  1.00  0.00           H  
HETATM   71  H   UNL     1       8.259  -1.567  -2.404  1.00  0.00           H  
HETATM   72  H   UNL     1       8.263  -3.342  -2.264  1.00  0.00           H  
HETATM   73  H   UNL     1       5.228   1.123  -2.501  1.00  0.00           H  
HETATM   74  H   UNL     1       7.098   2.360  -0.428  1.00  0.00           H  
HETATM   75  H   UNL     1       7.283   2.438  -2.199  1.00  0.00           H  
HETATM   76  H   UNL     1       3.000   4.747   0.151  1.00  0.00           H  
HETATM   77  H   UNL     1       4.379   5.648  -0.523  1.00  0.00           H  
HETATM   78  H   UNL     1       3.316   4.711  -1.600  1.00  0.00           H  
HETATM   79  H   UNL     1       6.391   4.621   2.207  1.00  0.00           H  
HETATM   80  H   UNL     1       5.128   1.107   0.554  1.00  0.00           H  
HETATM   81  H   UNL     1       3.266  -0.075  -1.558  1.00  0.00           H  
HETATM   82  H   UNL     1       1.770  -1.778  -0.292  1.00  0.00           H  
HETATM   83  H   UNL     1       0.470   0.130   1.706  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.520  -2.510   0.532  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.251  -2.026   2.758  1.00  0.00           H  
HETATM   86  H   UNL     1       1.064  -2.649   2.384  1.00  0.00           H  
HETATM   87  H   UNL     1       2.442  -3.044   4.157  1.00  0.00           H  
HETATM   88  H   UNL     1       3.883  -1.999   4.122  1.00  0.00           H  
HETATM   89  H   UNL     1       2.547  -1.636   5.241  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.126  -1.569  -1.796  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.868  -0.062  -2.798  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.991   1.338  -2.135  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.321   0.847  -4.375  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.517   0.349   0.130  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.170   0.432  -1.659  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.409   3.888  -0.521  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.659   2.640  -0.305  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.114   3.604   1.089  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.138   0.719   3.135  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.777  -1.235  -3.349  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.354  -1.481  -2.636  1.00  0.00           H  
CONECT    1    2   51    7   55                                       
CONECT    2    3   44    1   56                                       
CONECT    3   45    2   57   58                                       
CONECT    4    6   54   54    5                                       
CONECT    5    4   59   60   61                                       
CONECT    6   53    4   62                                            
CONECT    7    1   53   52   63                                       
CONECT    8    9   64   65   66                                       
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   67                                            
CONECT   12   11   27   13   68                                       
CONECT   13   12   16   14   69                                       
CONECT   14   13   15                                                 
CONECT   15   14   70   71   72                                       
CONECT   16   17   13                                                 
CONECT   17   26   18   16   73                                       
CONECT   18   19   17   74   75                                       
CONECT   19   20   18                                                 
CONECT   20   22   21   25   19                                       
CONECT   21   20   76   77   78                                       
CONECT   22   23   23   24   20                                       
CONECT   23   22   22                                                 
CONECT   24   22   79                                                 
CONECT   25   20   26                                                 
CONECT   26   25   27   17   80                                       
CONECT   27   28   26   12   81                                       
CONECT   28   29   27                                                 
CONECT   29   30   28   37   82                                       
CONECT   30   33   31   29   83                                       
CONECT   31   32   30   41   84                                       
CONECT   32   31   85                                                 
CONECT   33   34   30   86                                            
CONECT   34   36   35   35   33                                       
CONECT   35   34   34                                                 
CONECT   36   34   87   88   89                                       
CONECT   37   29   38                                                 
CONECT   38   37   41   39   90                                       
CONECT   39   38   40   91   92                                       
CONECT   40   39   93                                                 
CONECT   41   31   38   42   94                                       
CONECT   42   41   43                                                 
CONECT   43   44   42   53   95                                       
CONECT   44    2   43                                                 
CONECT   45    3   46                                                 
CONECT   46   45   47   51   48                                       
CONECT   47   46   96   97   98                                       
CONECT   48   46   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48   99                                                 
CONECT   51   46    1                                                 
CONECT   52    7  100                                                 
CONECT   53   43    7    6  101                                       
CONECT   54    4    4                                                 
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   24                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   43                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   50                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
