COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.679   1.392   4.202  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.891  -1.175  -0.332  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.001  -2.808  -0.232  1.00  0.00           C  
HETATM    4  C   UNL     1       8.875   0.400  -0.096  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.005   0.061  -0.497  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.674  -4.324   0.315  1.00  0.00           C  
HETATM    7  C   UNL     1       5.699  -0.010  -1.167  1.00  0.00           C  
HETATM    8  C   UNL     1      10.195  -1.092  -1.515  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.391   0.347   0.730  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.425   1.101   2.061  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.549   0.543   2.935  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.227  -0.902   3.321  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.243   1.079   1.312  1.00  0.00           O  
HETATM   14  C   UNL     1       4.360   0.758  -1.240  1.00  0.00           C  
HETATM   15  C   UNL     1       4.741   2.116  -0.606  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.225  -2.375  -1.008  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.158  -3.608  -0.965  1.00  0.00           C  
HETATM   18  C   UNL     1       5.925   1.793   0.279  1.00  0.00           C  
HETATM   19  C   UNL     1       8.926  -0.181  -1.531  1.00  0.00           C  
HETATM   20  C   UNL     1       9.830  -2.224  -0.547  1.00  0.00           C  
HETATM   21  C   UNL     1       9.787  -1.729   0.674  1.00  0.00           C  
HETATM   22  C   UNL     1      10.120  -0.234   0.603  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.763   1.300  -0.016  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.675   0.593  -0.019  1.00  0.00           C  
HETATM   25  C   UNL     1       7.587  -0.025   0.611  1.00  0.00           C  
HETATM   26  C   UNL     1      11.143  -0.243  -0.591  1.00  0.00           C  
HETATM   27  C   UNL     1       3.280   0.053  -0.417  1.00  0.00           C  
HETATM   28  C   UNL     1       0.948   0.235   0.057  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.260   0.820  -0.071  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.785  -0.104   0.297  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.278  -3.907   0.491  1.00  0.00           N  
HETATM   32  N   UNL     1       6.438   0.596  -0.054  1.00  0.00           N  
HETATM   33  O   UNL     1       6.350   2.510   1.160  1.00  0.00           O  
HETATM   34  O   UNL     1       2.010   0.734  -0.603  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.925  -2.249  -0.262  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.711   1.419  -0.907  1.00  0.00           O  
HETATM   37  O   UNL     1       1.078  -0.741   0.769  1.00  0.00           O  
HETATM   38  H   UNL     1      -2.909   2.422   3.928  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.480   0.995   4.825  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.741   1.364   4.756  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.028  -1.386   0.729  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.862  -0.991  -0.793  1.00  0.00           H  
HETATM   43  H   UNL     1       8.958   1.486  -0.120  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.741   0.181  -1.547  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.270  -4.018   1.175  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.731  -5.404   0.183  1.00  0.00           H  
HETATM   47  H   UNL     1       5.517  -1.067  -0.969  1.00  0.00           H  
HETATM   48  H   UNL     1       6.254   0.110  -2.098  1.00  0.00           H  
HETATM   49  H   UNL     1      10.584  -1.395  -2.488  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.281  -0.721   0.921  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.470   0.977   2.573  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.601   2.160   1.874  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.488   0.571   2.382  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.330  -0.921   3.940  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.062  -1.324   3.879  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.059  -1.490   2.418  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.546   0.902   1.958  1.00  0.00           H  
HETATM   58  H   UNL     1       4.040   0.886  -2.274  1.00  0.00           H  
HETATM   59  H   UNL     1       5.026   2.831  -1.378  1.00  0.00           H  
HETATM   60  H   UNL     1       3.914   2.505  -0.013  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.958  -2.132  -2.037  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.013  -4.237  -1.843  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.201  -3.305  -0.872  1.00  0.00           H  
HETATM   64  H   UNL     1       8.033  -0.771  -1.737  1.00  0.00           H  
HETATM   65  H   UNL     1       9.037   0.618  -2.264  1.00  0.00           H  
HETATM   66  H   UNL     1       9.642  -3.252  -0.819  1.00  0.00           H  
HETATM   67  H   UNL     1       9.557  -2.283   1.572  1.00  0.00           H  
HETATM   68  H   UNL     1      10.441   0.235   1.534  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.093   2.160  -0.022  1.00  0.00           H  
HETATM   70  S   UNL     1      -7.165   1.617  -1.122  1.00  0.00           S  
HETATM   71  H   UNL     1       7.489  -1.110   0.568  1.00  0.00           H  
HETATM   72  H   UNL     1       7.621   0.296   1.652  1.00  0.00           H  
HETATM   73  H   UNL     1      12.066  -0.768  -0.346  1.00  0.00           H  
HETATM   74  H   UNL     1      11.330   0.754  -0.989  1.00  0.00           H  
HETATM   75  H   UNL     1       3.189  -0.982  -0.747  1.00  0.00           H  
HETATM   76  H   UNL     1       3.553   0.076   0.637  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.380   1.553  -0.694  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.775  -0.715   1.051  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.637  -4.364   1.059  1.00  0.00           H  
HETATM   80  O   UNL     1      -8.038   0.497  -1.155  1.00  0.00           O  
HETATM   81  O   UNL     1      -7.668   2.932  -0.924  1.00  0.00           O  
HETATM   82  O   UNL     1      -6.550   1.656  -2.513  1.00  0.00           O  
HETATM   83  H   UNL     1      -7.189   1.819  -3.221  1.00  0.00           H  
CONECT    1   11   38   39   40                                       
CONECT    2    5   16   41   42                                       
CONECT    3   16   35   35   31                                       
CONECT    4   22   19   25   43                                       
CONECT    5   30   23    2   44                                       
CONECT    6   17   31   45   46                                       
CONECT    7   32   14   47   48                                       
CONECT    8   26   20   19   49                                       
CONECT    9   10   29   24   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   12    1   10   53                                       
CONECT   12   11   54   55   56                                       
CONECT   13   23   57                                                 
CONECT   14    7   27   15   58                                       
CONECT   15   18   14   59   60                                       
CONECT   16    2   17    3   61                                       
CONECT   17   16    6   62   63                                       
CONECT   18   32   33   33   15                                       
CONECT   19    8    4   64   65                                       
CONECT   20    8   21   21   66                                       
CONECT   21   22   20   20   67                                       
CONECT   22   26   21    4   68                                       
CONECT   23   13    5   69   70                                       
CONECT   24    9   36   36   30                                       
CONECT   25    4   32   71   72                                       
CONECT   26   22    8   73   74                                       
CONECT   27   34   14   75   76                                       
CONECT   28   29   34   37   37                                       
CONECT   29    9   28   77                                            
CONECT   30   24    5   78                                            
CONECT   31    3    6   79                                            
CONECT   32   25    7   18                                            
CONECT   33   18   18                                                 
CONECT   34   28   27                                                 
CONECT   35    3    3                                                 
CONECT   36   24   24                                                 
CONECT   37   28   28                                                 
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23   80   80   81                                       
CONECT   70   81   82                                                 
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   70   70                                                 
CONECT   81   70   70                                                 
CONECT   82   70   83                                                 
CONECT   83   82                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
