COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.882   0.139   0.015  1.00  0.00           C  
HETATM    2  C   UNL     1       6.337  -1.303   0.249  1.00  0.00           C  
HETATM    3  C   UNL     1       5.950  -2.161  -0.957  1.00  0.00           C  
HETATM    4  C   UNL     1       4.432  -2.129  -1.140  1.00  0.00           C  
HETATM    5  C   UNL     1       3.977  -0.687  -1.373  1.00  0.00           C  
HETATM    6  C   UNL     1       4.364   0.171  -0.167  1.00  0.00           C  
HETATM    7  C   UNL     1       3.908   1.613  -0.401  1.00  0.00           C  
HETATM    8  C   UNL     1       4.290   2.459   0.787  1.00  0.00           C  
HETATM    9  S   UNL     1       3.744   2.193   2.438  1.00  0.00           S  
HETATM   10  C   UNL     1       4.665   3.583   2.998  1.00  0.00           C  
HETATM   11  C   UNL     1       5.300   4.143   1.967  1.00  0.00           C  
HETATM   12  C   UNL     1       5.097   3.520   0.748  1.00  0.00           C  
HETATM   13  C   UNL     1       2.413   1.645  -0.581  1.00  0.00           C  
HETATM   14  O   UNL     1       1.773   0.616  -0.528  1.00  0.00           O  
HETATM   15  N   UNL     1       1.785   2.818  -0.801  1.00  0.00           N  
HETATM   16  C   UNL     1       2.529   4.084  -0.759  1.00  0.00           C  
HETATM   17  C   UNL     1       2.280   4.846  -2.065  1.00  0.00           C  
HETATM   18  C   UNL     1       0.773   5.008  -2.277  1.00  0.00           C  
HETATM   19  C   UNL     1       0.120   3.629  -2.390  1.00  0.00           C  
HETATM   20  C   UNL     1       0.346   2.853  -1.094  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.175   1.447  -1.249  1.00  0.00           C  
HETATM   22  O   UNL     1       0.254   0.738  -2.129  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.113   0.983  -0.410  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.568  -0.381  -0.618  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.709  -1.325   0.184  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.319  -2.534  -0.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.308  -0.978   1.460  1.00  0.00           C  
HETATM   28  C   UNL     1       0.480  -1.842   2.199  1.00  0.00           C  
HETATM   29  C   UNL     1       0.869  -3.053   1.662  1.00  0.00           C  
HETATM   30  C   UNL     1       0.471  -3.402   0.379  1.00  0.00           C  
HETATM   31  O   UNL     1       0.856  -4.592  -0.153  1.00  0.00           O  
HETATM   32  C   UNL     1       1.669  -5.436   0.664  1.00  0.00           C  
HETATM   33  C   UNL     1       1.994  -6.701  -0.087  1.00  0.00           C  
HETATM   34  O   UNL     1       1.573  -6.863  -1.207  1.00  0.00           O  
HETATM   35  O   UNL     1       2.752  -7.647   0.489  1.00  0.00           O  
HETATM   36  C   UNL     1      -3.024  -0.507  -0.167  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.913   0.357  -1.064  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.347   0.232  -0.619  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.854   1.101   0.329  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.156  -0.748  -1.165  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.472  -0.866  -0.761  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.985  -0.002   0.192  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.280  -0.117   0.591  1.00  0.00           O  
HETATM   44  C   UNL     1     -10.054  -1.156  -0.012  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.173   0.988   0.738  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.671   1.839   1.675  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.780   2.830   2.190  1.00  0.00           C  
HETATM   48  H   UNL     1       6.158   0.751   0.874  1.00  0.00           H  
HETATM   49  H   UNL     1       6.364   0.532  -0.880  1.00  0.00           H  
HETATM   50  H   UNL     1       7.419  -1.326   0.379  1.00  0.00           H  
HETATM   51  H   UNL     1       5.855  -1.696   1.144  1.00  0.00           H  
HETATM   52  H   UNL     1       6.432  -1.768  -1.852  1.00  0.00           H  
HETATM   53  H   UNL     1       6.274  -3.188  -0.791  1.00  0.00           H  
HETATM   54  H   UNL     1       4.156  -2.740  -1.999  1.00  0.00           H  
HETATM   55  H   UNL     1       3.950  -2.522  -0.245  1.00  0.00           H  
HETATM   56  H   UNL     1       4.459  -0.294  -2.269  1.00  0.00           H  
HETATM   57  H   UNL     1       2.895  -0.664  -1.504  1.00  0.00           H  
HETATM   58  H   UNL     1       3.881  -0.221   0.728  1.00  0.00           H  
HETATM   59  H   UNL     1       4.391   2.006  -1.296  1.00  0.00           H  
HETATM   60  H   UNL     1       4.706   3.932   4.019  1.00  0.00           H  
HETATM   61  H   UNL     1       5.929   5.015   2.077  1.00  0.00           H  
HETATM   62  H   UNL     1       5.552   3.870  -0.166  1.00  0.00           H  
HETATM   63  H   UNL     1       2.184   4.683   0.084  1.00  0.00           H  
HETATM   64  H   UNL     1       3.594   3.879  -0.650  1.00  0.00           H  
HETATM   65  H   UNL     1       2.748   5.829  -2.007  1.00  0.00           H  
HETATM   66  H   UNL     1       2.707   4.288  -2.898  1.00  0.00           H  
HETATM   67  H   UNL     1       0.343   5.545  -1.431  1.00  0.00           H  
HETATM   68  H   UNL     1       0.594   5.571  -3.193  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.949   3.743  -2.565  1.00  0.00           H  
HETATM   70  H   UNL     1       0.569   3.085  -3.222  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.176   3.350  -0.275  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.492  -0.631  -1.677  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.630  -2.803  -1.359  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.611  -0.031   1.882  1.00  0.00           H  
HETATM   75  H   UNL     1       0.792  -1.568   3.196  1.00  0.00           H  
HETATM   76  H   UNL     1       1.485  -3.727   2.238  1.00  0.00           H  
HETATM   77  H   UNL     1       2.593  -4.915   0.917  1.00  0.00           H  
HETATM   78  H   UNL     1       1.130  -5.684   1.579  1.00  0.00           H  
HETATM   79  H   UNL     1       2.934  -8.441  -0.032  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.338  -1.549  -0.241  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.115  -0.173   0.866  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.599   1.398  -0.990  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.822   0.022  -2.097  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.222   1.868   0.751  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.757  -1.422  -1.909  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.102  -1.632  -1.190  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.066  -1.137   0.394  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.092  -1.002  -1.090  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.595  -2.121   0.201  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.928   2.342   2.662  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.431   3.464   1.375  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.303   3.440   2.927  1.00  0.00           H  
CONECT    1    6    2   48   49                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2    4   52   53                                       
CONECT    4    5    3   54   55                                       
CONECT    5    6    4   56   57                                       
CONECT    6    7    1    5   58                                       
CONECT    7    8   13    6   59                                       
CONECT    8    9   12   12    7                                       
CONECT    9   10    8                                                 
CONECT   10   11   11    9   60                                       
CONECT   11   10   10   12   61                                       
CONECT   12   11    8    8   62                                       
CONECT   13   14   14   15    7                                       
CONECT   14   13   13                                                 
CONECT   15   20   13   16                                            
CONECT   16   15   17   63   64                                       
CONECT   17   18   16   65   66                                       
CONECT   18   19   17   67   68                                       
CONECT   19   20   18   69   70                                       
CONECT   20   19   15   21   71                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24                                                 
CONECT   24   23   36   25   72                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   30   30   73                                       
CONECT   27   25   25   28   74                                       
CONECT   28   27   29   29   75                                       
CONECT   29   28   28   30   76                                       
CONECT   30   26   26   29   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   77   78                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   79                                                 
CONECT   36   24   37   80   81                                       
CONECT   37   38   36   82   83                                       
CONECT   38   39   39   40   37                                       
CONECT   39   45   38   38   84                                       
CONECT   40   41   41   38   85                                       
CONECT   41   42   40   40   86                                       
CONECT   42   43   45   45   41                                       
CONECT   43   44   42                                                 
CONECT   44   43   87   88   89                                       
CONECT   45   46   42   42   39                                       
CONECT   46   47   45                                                 
CONECT   47   46   90   91   92                                       
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   12                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   44                                                      
CONECT   90   47                                                      
CONECT   91   47                                                      
CONECT   92   47                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
