COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1     -12.509   2.062   0.122  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.678   0.563   0.380  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.833  -0.170  -0.954  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.447   0.030   1.115  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.263   2.294  -0.736  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.418   1.560  -2.070  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.031   1.761  -0.001  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.587   0.062  -1.811  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.201   0.262   0.258  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.356  -0.471  -1.076  1.00  0.00           C  
HETATM   11  C   UNL     1       8.809   2.160   1.766  1.00  0.00           C  
HETATM   12  C   UNL     1       8.371   0.924   2.232  1.00  0.00           C  
HETATM   13  C   UNL     1       8.010  -0.065   1.369  1.00  0.00           C  
HETATM   14  C   UNL     1       8.888   2.416   0.414  1.00  0.00           C  
HETATM   15  C   UNL     1       8.520   1.409  -0.505  1.00  0.00           C  
HETATM   16  C   UNL     1       8.076   0.155  -0.018  1.00  0.00           C  
HETATM   17  C   UNL     1       7.710  -0.848  -0.932  1.00  0.00           C  
HETATM   18  C   UNL     1       7.787  -0.602  -2.269  1.00  0.00           C  
HETATM   19  C   UNL     1       8.224   0.632  -2.746  1.00  0.00           C  
HETATM   20  C   UNL     1       8.587   1.627  -1.890  1.00  0.00           C  
HETATM   21  N   UNL     1       9.327   3.657  -0.043  1.00  0.00           N  
HETATM   22  C   UNL     1       8.455   4.735   0.443  1.00  0.00           C  
HETATM   23  C   UNL     1      10.724   3.895   0.344  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.511  -0.564   0.860  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.293  -0.468   0.292  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.114  -0.978   0.995  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.868  -0.747   0.138  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.636  -1.280   0.873  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.390  -1.048   0.016  1.00  0.00           C  
HETATM   30  C   UNL     1       0.841  -1.581   0.751  1.00  0.00           C  
HETATM   31  C   UNL     1       2.087  -1.349  -0.106  1.00  0.00           C  
HETATM   32  C   UNL     1       3.318  -1.883   0.629  1.00  0.00           C  
HETATM   33  C   UNL     1       4.564  -1.651  -0.228  1.00  0.00           C  
HETATM   34  N   UNL     1       5.743  -2.161   0.475  1.00  0.00           N  
HETATM   35  O   UNL     1       6.814  -3.173  -1.505  1.00  0.00           O  
HETATM   36  S   UNL     1       7.155  -2.416  -0.351  1.00  0.00           S  
HETATM   37  O   UNL     1       8.109  -2.849   0.608  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.631  -1.074   1.954  1.00  0.00           O  
HETATM   39  H   UNL     1     -13.386   2.442  -0.402  1.00  0.00           H  
HETATM   40  H   UNL     1     -12.398   2.584   1.072  1.00  0.00           H  
HETATM   41  H   UNL     1     -13.566   0.398   0.991  1.00  0.00           H  
HETATM   42  H   UNL     1     -12.954  -1.237  -0.770  1.00  0.00           H  
HETATM   43  H   UNL     1     -13.710   0.210  -1.477  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.336   0.553   2.065  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.568  -1.037   1.299  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.142   3.361  -0.920  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.295   1.940  -2.593  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.530   1.725  -2.680  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.144   1.926  -0.612  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.921   2.283   0.950  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.698  -0.461  -2.761  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.477  -1.539  -0.892  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.468  -0.306  -1.687  1.00  0.00           H  
HETATM   54  H   UNL     1       9.085   2.929   2.472  1.00  0.00           H  
HETATM   55  H   UNL     1       8.317   0.746   3.296  1.00  0.00           H  
HETATM   56  H   UNL     1       7.673  -1.018   1.749  1.00  0.00           H  
HETATM   57  H   UNL     1       7.505  -1.374  -2.969  1.00  0.00           H  
HETATM   58  H   UNL     1       8.276   0.802  -3.812  1.00  0.00           H  
HETATM   59  H   UNL     1       8.923   2.578  -2.274  1.00  0.00           H  
HETATM   60  H   UNL     1       8.459   4.742   1.533  1.00  0.00           H  
HETATM   61  H   UNL     1       8.821   5.692   0.072  1.00  0.00           H  
HETATM   62  H   UNL     1       7.439   4.570   0.083  1.00  0.00           H  
HETATM   63  H   UNL     1      11.358   3.120  -0.087  1.00  0.00           H  
HETATM   64  H   UNL     1      11.042   4.871  -0.025  1.00  0.00           H  
HETATM   65  H   UNL     1      10.810   3.872   1.430  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.196  -0.060  -0.583  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.003  -0.456   1.946  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.234  -2.046   1.180  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.978  -1.269  -0.812  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.747   0.321  -0.046  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.526  -0.757   1.824  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.757  -2.347   1.058  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.501  -1.571  -0.934  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.270   0.020  -0.168  1.00  0.00           H  
HETATM   75  H   UNL     1       0.951  -1.059   1.701  1.00  0.00           H  
HETATM   76  H   UNL     1       0.720  -2.649   0.935  1.00  0.00           H  
HETATM   77  H   UNL     1       1.976  -1.872  -1.056  1.00  0.00           H  
HETATM   78  H   UNL     1       2.208  -0.282  -0.290  1.00  0.00           H  
HETATM   79  H   UNL     1       3.429  -1.360   1.579  1.00  0.00           H  
HETATM   80  H   UNL     1       3.197  -2.950   0.813  1.00  0.00           H  
HETATM   81  H   UNL     1       4.454  -2.173  -1.179  1.00  0.00           H  
HETATM   82  H   UNL     1       4.685  -0.583  -0.413  1.00  0.00           H  
HETATM   83  H   UNL     1       5.697  -2.350   1.426  1.00  0.00           H  
HETATM   84  C   UNL     1      -7.724  -0.039   0.136  1.00  0.00           C  
HETATM   85  C   UNL     1      -8.970  -0.271   0.993  1.00  0.00           C  
HETATM   86  H   UNL     1      -7.603   1.028  -0.049  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.834  -0.562  -0.814  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.859   0.251   1.943  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.090  -1.339   1.177  1.00  0.00           H  
CONECT    1    2    5   39   40                                       
CONECT    2    1    3    4   41                                       
CONECT    3    2    8   42   43                                       
CONECT    4    2    9   44   45                                       
CONECT    5    1    6    7   46                                       
CONECT    6    5    8   47   48                                       
CONECT    7    5    9   49   50                                       
CONECT    8    3    6   10   51                                       
CONECT    9    4    7   10   85                                       
CONECT   10    8    9   52   53                                       
CONECT   11   12   12   14   54                                       
CONECT   12   11   11   13   55                                       
CONECT   13   12   16   16   56                                       
CONECT   14   11   15   15   21                                       
CONECT   15   14   14   16   20                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   18   18   36                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   58                                       
CONECT   20   15   19   19   59                                       
CONECT   21   14   22   23                                            
CONECT   22   21   60   61   62                                       
CONECT   23   21   63   64   65                                       
CONECT   24   25   38   38   84                                       
CONECT   25   24   26   66                                            
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69   70                                       
CONECT   28   27   29   71   72                                       
CONECT   29   28   30   73   74                                       
CONECT   30   29   31   75   76                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   33   79   80                                       
CONECT   33   32   34   81   82                                       
CONECT   34   33   36   83                                            
CONECT   35   36   36                                                 
CONECT   36   17   34   35   35                                       
CONECT   36   37   37                                                 
CONECT   37   36   36                                                 
CONECT   38   24   24                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   85   24   86   87                                       
CONECT   85   84    9   88   89                                       
CONECT   86   84                                                      
CONECT   87   84                                                      
CONECT   88   85                                                      
CONECT   89   85                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
