COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.981   3.161  -1.779  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.371   3.292  -1.848  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.462   1.957  -1.498  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.316   1.215  -1.292  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.832   1.026  -1.195  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.582   1.628  -1.325  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.437   0.891  -1.103  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.766  -1.048  -0.624  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.918  -0.319  -0.843  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.443  -2.749  -0.530  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.681  -2.154   2.090  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.127  -2.523   2.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.906  -3.382   1.607  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.472  -2.976   1.260  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.072   0.228   1.462  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.566   0.209   1.423  1.00  0.00           C  
HETATM   17  O   UNL     1       1.914   2.111   2.845  1.00  0.00           O  
HETATM   18  C   UNL     1       2.097   3.042   2.090  1.00  0.00           C  
HETATM   19  C   UNL     1       1.392   4.352   2.324  1.00  0.00           C  
HETATM   20  N   UNL     1       2.932   2.904   1.040  1.00  0.00           N  
HETATM   21  C   UNL     1       3.617   1.629   0.812  1.00  0.00           C  
HETATM   22  C   UNL     1       4.901   1.874   0.013  1.00  0.00           C  
HETATM   23  O   UNL     1       5.806   2.703   0.789  1.00  0.00           O  
HETATM   24  C   UNL     1       6.634   3.507   0.105  1.00  0.00           C  
HETATM   25  O   UNL     1       6.604   3.519  -1.103  1.00  0.00           O  
HETATM   26  C   UNL     1       7.601   4.397   0.843  1.00  0.00           C  
HETATM   27  C   UNL     1       5.568   0.528  -0.286  1.00  0.00           C  
HETATM   28  O   UNL     1       6.747   0.742  -1.106  1.00  0.00           O  
HETATM   29  C   UNL     1       7.755  -0.132  -0.964  1.00  0.00           C  
HETATM   30  O   UNL     1       7.656  -1.046  -0.180  1.00  0.00           O  
HETATM   31  C   UNL     1       9.010   0.026  -1.783  1.00  0.00           C  
HETATM   32  C   UNL     1       4.578  -0.368  -1.036  1.00  0.00           C  
HETATM   33  C   UNL     1       5.216  -1.735  -1.286  1.00  0.00           C  
HETATM   34  O   UNL     1       4.326  -2.544  -2.099  1.00  0.00           O  
HETATM   35  C   UNL     1       4.740  -3.782  -2.410  1.00  0.00           C  
HETATM   36  O   UNL     1       5.812  -4.177  -2.016  1.00  0.00           O  
HETATM   37  C   UNL     1       3.869  -4.679  -3.250  1.00  0.00           C  
HETATM   38  O   UNL     1       3.395  -0.530  -0.251  1.00  0.00           O  
HETATM   39  C   UNL     1       2.703   0.691   0.020  1.00  0.00           C  
HETATM   40  N   UNL     1       1.498   0.406   0.803  1.00  0.00           N  
HETATM   41  N   UNL     1       1.471  -0.068   2.000  1.00  0.00           N  
HETATM   42  N   UNL     1       0.255  -0.199   2.398  1.00  0.00           N  
HETATM   43  C   UNL     1       0.223   0.596   0.394  1.00  0.00           C  
HETATM   44  N   UNL     1      -2.587  -1.091   1.086  1.00  0.00           N  
HETATM   45  C   UNL     1      -1.883  -4.438   2.713  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.936  -2.311   1.425  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.517  -3.088   3.451  1.00  0.00           O  
HETATM   48  S   UNL     1      -3.062  -1.381  -0.473  1.00  0.00           S  
HETATM   49  O   UNL     1      -2.060  -0.818  -1.309  1.00  0.00           O  
HETATM   50  C   UNL     1      -4.528  -0.445  -0.754  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.067   1.816  -1.426  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.132   3.892  -1.988  1.00  0.00           C  
HETATM   53  H   UNL     1      -7.014   3.632  -1.884  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.269   3.868  -2.008  1.00  0.00           H  
HETATM   55  H   UNL     1     -11.431   1.494  -1.386  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.389   0.172  -1.018  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.510   2.671  -1.598  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.468   1.356  -1.203  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.832  -2.091  -0.351  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.884  -0.791  -0.741  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.257  -1.804   3.031  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.391  -3.793   0.722  1.00  0.00           H  
HETATM   63  H   UNL     1       0.014  -2.565   2.145  1.00  0.00           H  
HETATM   64  H   UNL     1       0.080  -3.850   0.916  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.488  -2.223   0.472  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.406   0.475   2.470  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.444   0.976   0.762  1.00  0.00           H  
HETATM   68  H   UNL     1       1.679   5.063   1.549  1.00  0.00           H  
HETATM   69  H   UNL     1       0.313   4.196   2.292  1.00  0.00           H  
HETATM   70  H   UNL     1       1.673   4.747   3.301  1.00  0.00           H  
HETATM   71  H   UNL     1       3.078   3.648   0.436  1.00  0.00           H  
HETATM   72  H   UNL     1       3.865   1.173   1.770  1.00  0.00           H  
HETATM   73  H   UNL     1       4.657   2.378  -0.923  1.00  0.00           H  
HETATM   74  H   UNL     1       8.540   3.864   0.996  1.00  0.00           H  
HETATM   75  H   UNL     1       7.786   5.297   0.257  1.00  0.00           H  
HETATM   76  H   UNL     1       7.178   4.672   1.809  1.00  0.00           H  
HETATM   77  H   UNL     1       5.857   0.049   0.650  1.00  0.00           H  
HETATM   78  H   UNL     1       9.720   0.653  -1.242  1.00  0.00           H  
HETATM   79  H   UNL     1       9.454  -0.953  -1.961  1.00  0.00           H  
HETATM   80  H   UNL     1       8.766   0.494  -2.737  1.00  0.00           H  
HETATM   81  H   UNL     1       4.322   0.093  -1.990  1.00  0.00           H  
HETATM   82  H   UNL     1       6.165  -1.604  -1.806  1.00  0.00           H  
HETATM   83  H   UNL     1       5.391  -2.234  -0.332  1.00  0.00           H  
HETATM   84  H   UNL     1       4.105  -4.532  -4.304  1.00  0.00           H  
HETATM   85  H   UNL     1       4.050  -5.720  -2.979  1.00  0.00           H  
HETATM   86  H   UNL     1       2.821  -4.436  -3.076  1.00  0.00           H  
HETATM   87  H   UNL     1       2.422   1.166  -0.920  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.101   0.979  -0.563  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.904  -4.728   2.961  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.331  -5.313   2.369  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.398  -4.027   3.599  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.455  -3.306   3.537  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.067   4.935  -2.260  1.00  0.00           H  
CONECT    1   52   52   51   53                                       
CONECT    2   52    3    3   54                                       
CONECT    3    2    2    4   55                                       
CONECT    4   51   51    3   56                                       
CONECT    5    6    6   51    9                                       
CONECT    6    5    5    7   57                                       
CONECT    7    6   50   50   58                                       
CONECT    8   50    9    9   59                                       
CONECT    9    5    8    8   60                                       
CONECT   10   48   48                                                 
CONECT   11   12   13   44   61                                       
CONECT   12   46   46   47   11                                       
CONECT   13   45   11   14   62                                       
CONECT   14   13   63   64   65                                       
CONECT   15   44   16   66   67                                       
CONECT   16   15   42   43   43                                       
CONECT   17   18   18                                                 
CONECT   18   19   20   17   17                                       
CONECT   19   18   68   69   70                                       
CONECT   20   18   21   71                                            
CONECT   21   20   39   22   72                                       
CONECT   22   21   23   27   73                                       
CONECT   23   22   24                                                 
CONECT   24   23   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   74   75   76                                       
CONECT   27   22   32   28   77                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   78   79   80                                       
CONECT   32   38   27   33   81                                       
CONECT   33   32   34   82   83                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   84   85   86                                       
CONECT   38   39   32                                                 
CONECT   39   40   21   38   87                                       
CONECT   40   41   43   39                                            
CONECT   41   42   42   40                                            
CONECT   42   16   41   41                                            
CONECT   43   16   16   40   88                                       
CONECT   44   11   15   48                                            
CONECT   45   13   89   90   91                                       
CONECT   46   12   12                                                 
CONECT   47   12   92                                                 
CONECT   48   44   50   10   10                                       
CONECT   48   49   49                                                 
CONECT   49   48   48                                                 
CONECT   50    7    7   48    8                                       
CONECT   51    1    5    4    4                                       
CONECT   52    1    1    2   93                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   39                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   45                                                      
CONECT   92   47                                                      
CONECT   93   52                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
