COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.132  -1.067   0.132  1.00  0.00           O  
HETATM    2  C   UNL     1       6.942  -0.451  -0.898  1.00  0.00           C  
HETATM    3  O   UNL     1       7.886  -0.437  -1.858  1.00  0.00           O  
HETATM    4  C   UNL     1       9.106  -1.179  -1.594  1.00  0.00           C  
HETATM    5  C   UNL     1       8.767  -2.654  -1.372  1.00  0.00           C  
HETATM    6  C   UNL     1      10.052  -1.046  -2.789  1.00  0.00           C  
HETATM    7  C   UNL     1       9.783  -0.617  -0.342  1.00  0.00           C  
HETATM    8  N   UNL     1       5.784   0.213  -1.082  1.00  0.00           N  
HETATM    9  C   UNL     1       4.754   0.192  -0.041  1.00  0.00           C  
HETATM   10  C   UNL     1       3.383   0.442  -0.674  1.00  0.00           C  
HETATM   11  O   UNL     1       3.343   1.762  -1.219  1.00  0.00           O  
HETATM   12  C   UNL     1       5.047   1.286   0.988  1.00  0.00           C  
HETATM   13  C   UNL     1       6.339   0.975   1.698  1.00  0.00           C  
HETATM   14  C   UNL     1       7.536   1.449   1.196  1.00  0.00           C  
HETATM   15  C   UNL     1       6.326   0.219   2.856  1.00  0.00           C  
HETATM   16  C   UNL     1       8.721   1.163   1.847  1.00  0.00           C  
HETATM   17  C   UNL     1       7.511  -0.067   3.508  1.00  0.00           C  
HETATM   18  C   UNL     1       8.709   0.403   3.002  1.00  0.00           C  
HETATM   19  C   UNL     1       2.295   0.297   0.393  1.00  0.00           C  
HETATM   20  N   UNL     1       0.974   0.417  -0.237  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.098   0.181   0.739  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.343  -0.269   0.020  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.338  -0.383  -1.188  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.390   1.477   1.500  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.769   2.559   0.522  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.101   2.799   0.240  1.00  0.00           C  
HETATM   27  C   UNL     1       0.214   3.315  -0.088  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.449   3.792  -0.657  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.134   4.308  -0.985  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.465   4.544  -1.271  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.462  -0.546   0.718  1.00  0.00           N  
HETATM   32  C   UNL     1      -3.672  -0.985   0.018  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.883  -0.646   0.849  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.749  -0.094   1.920  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.613  -2.497  -0.205  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.457  -2.828  -1.151  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.398  -4.318  -1.370  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.200  -5.041  -0.827  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.456  -4.842  -2.170  1.00  0.00           O  
HETATM   40  N   UNL     1      -6.116  -0.958   0.402  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.293  -0.629   1.210  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.537  -1.728   2.213  1.00  0.00           C  
HETATM   43  O   UNL     1      -6.800  -2.690   2.249  1.00  0.00           O  
HETATM   44  C   UNL     1      -8.514  -0.491   0.299  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.322   0.686  -0.623  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.714   0.509  -1.852  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.759   1.941  -0.243  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.538   1.588  -2.698  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.583   3.020  -1.088  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.970   2.844  -2.315  1.00  0.00           C  
HETATM   51  N   UNL     1      -8.574  -1.640   3.069  1.00  0.00           N  
HETATM   52  H   UNL     1       8.285  -3.054  -2.263  1.00  0.00           H  
HETATM   53  H   UNL     1       9.683  -3.211  -1.173  1.00  0.00           H  
HETATM   54  H   UNL     1       8.093  -2.748  -0.521  1.00  0.00           H  
HETATM   55  H   UNL     1      10.293   0.005  -2.947  1.00  0.00           H  
HETATM   56  H   UNL     1      10.968  -1.603  -2.590  1.00  0.00           H  
HETATM   57  H   UNL     1       9.570  -1.446  -3.680  1.00  0.00           H  
HETATM   58  H   UNL     1       9.109  -0.711   0.509  1.00  0.00           H  
HETATM   59  H   UNL     1      10.699  -1.174  -0.144  1.00  0.00           H  
HETATM   60  H   UNL     1      10.024   0.434  -0.500  1.00  0.00           H  
HETATM   61  H   UNL     1       5.632   0.704  -1.905  1.00  0.00           H  
HETATM   62  H   UNL     1       4.755  -0.780   0.452  1.00  0.00           H  
HETATM   63  H   UNL     1       3.212  -0.285  -1.468  1.00  0.00           H  
HETATM   64  H   UNL     1       3.488   2.461  -0.567  1.00  0.00           H  
HETATM   65  H   UNL     1       5.134   2.248   0.481  1.00  0.00           H  
HETATM   66  H   UNL     1       4.235   1.330   1.714  1.00  0.00           H  
HETATM   67  H   UNL     1       7.545   2.042   0.293  1.00  0.00           H  
HETATM   68  H   UNL     1       5.390  -0.147   3.251  1.00  0.00           H  
HETATM   69  H   UNL     1       9.656   1.532   1.454  1.00  0.00           H  
HETATM   70  H   UNL     1       7.501  -0.657   4.412  1.00  0.00           H  
HETATM   71  H   UNL     1       9.635   0.179   3.511  1.00  0.00           H  
HETATM   72  H   UNL     1       2.382  -0.679   0.870  1.00  0.00           H  
HETATM   73  H   UNL     1       2.414   1.080   1.141  1.00  0.00           H  
HETATM   74  H   UNL     1       0.890  -0.208  -1.024  1.00  0.00           H  
HETATM   75  H   UNL     1       0.214  -0.590   1.443  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.212   1.312   2.197  1.00  0.00           H  
HETATM   77  H   UNL     1       0.499   1.781   2.052  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.869   2.211   0.720  1.00  0.00           H  
HETATM   79  H   UNL     1       1.254   3.130   0.136  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.489   3.979  -0.878  1.00  0.00           H  
HETATM   81  H   UNL     1       0.634   4.899  -1.461  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.738   5.320  -1.972  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.466  -0.456   1.684  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.739  -0.478  -0.945  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.457  -2.999   0.750  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.551  -2.836  -0.645  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.613  -2.326  -2.105  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.519  -2.489  -0.710  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.459  -5.803  -2.280  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.224  -1.400  -0.455  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.123   0.310   1.734  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.632  -1.400  -0.292  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.406  -0.334   0.906  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.377  -0.472  -2.151  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.239   2.078   0.715  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.062   1.450  -3.658  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.925   4.000  -0.791  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.832   3.687  -2.975  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.163  -0.871   3.040  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.730  -2.347   3.714  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   52   53   54                                       
CONECT    6    4   55   56   57                                       
CONECT    7    4   58   59   60                                       
CONECT    8    9   61    2                                            
CONECT    9    8   10   12   62                                       
CONECT   10    9   11   19   63                                       
CONECT   11   10   64                                                 
CONECT   12    9   13   65   66                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   16   67                                       
CONECT   15   13   17   17   68                                       
CONECT   16   14   18   18   69                                       
CONECT   17   15   15   18   70                                       
CONECT   18   16   16   17   71                                       
CONECT   19   10   72   73   20                                       
CONECT   20   21   74   19                                            
CONECT   21   20   22   24   75                                       
CONECT   22   21   23   23   31                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   76   77                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   28   78                                       
CONECT   27   25   29   29   79                                       
CONECT   28   26   30   30   80                                       
CONECT   29   27   27   30   81                                       
CONECT   30   28   28   29   82                                       
CONECT   31   32   83   22                                            
CONECT   32   31   33   35   84                                       
CONECT   33   32   34   34   40                                       
CONECT   34   33   33                                                 
CONECT   35   32   36   85   86                                       
CONECT   36   35   37   87   88                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   89                                                 
CONECT   40   41   90   33                                            
CONECT   41   40   42   44   91                                       
CONECT   42   41   43   43   51                                       
CONECT   43   42   42                                                 
CONECT   44   41   45   92   93                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45   48   94                                       
CONECT   47   45   49   49   95                                       
CONECT   48   46   50   50   96                                       
CONECT   49   47   47   50   97                                       
CONECT   50   48   48   49   98                                       
CONECT   51   99  100   42                                            
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   51                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
