COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.218  -1.801  -1.905  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.677  -1.547  -0.537  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.221   1.740  -0.991  1.00  0.00           C  
HETATM    4  O   UNL     1       1.127  -2.958   0.029  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.094  -2.098  -0.364  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.047  -1.314  -1.229  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.674  -0.194  -0.722  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.551   0.534  -1.526  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.797   0.118  -2.834  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.169  -1.007  -3.327  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.296  -1.721  -2.527  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.091   2.455  -1.785  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.989   2.126   0.230  1.00  0.00           N  
HETATM   14  C   UNL     1       0.248  -2.228   0.436  1.00  0.00           C  
HETATM   15  C   UNL     1       1.536   0.311  -2.121  1.00  0.00           C  
HETATM   16  C   UNL     1       2.835  -0.103  -2.348  1.00  0.00           C  
HETATM   17  C   UNL     1       3.888   0.560  -1.746  1.00  0.00           C  
HETATM   18  C   UNL     1       3.642   1.639  -0.918  1.00  0.00           C  
HETATM   19  C   UNL     1       2.343   2.051  -0.687  1.00  0.00           C  
HETATM   20  C   UNL     1       1.290   1.390  -1.293  1.00  0.00           C  
HETATM   21  C   UNL     1       3.103  -1.279  -3.251  1.00  0.00           C  
HETATM   22  C   UNL     1       3.557  -0.776  -4.623  1.00  0.00           C  
HETATM   23  C   UNL     1       4.201  -2.152  -2.639  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.125   1.843  -1.046  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.226   2.466   0.347  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.519   2.881  -2.098  1.00  0.00           C  
HETATM   27  C   UNL     1       4.789   2.362  -0.262  1.00  0.00           C  
HETATM   28  C   UNL     1       4.788   3.827  -0.703  1.00  0.00           C  
HETATM   29  C   UNL     1       4.637   2.287   1.258  1.00  0.00           C  
HETATM   30  S   UNL     1       0.194  -0.534  -2.888  1.00  0.00           S  
HETATM   31  O   UNL     1      -0.904   0.364  -2.842  1.00  0.00           O  
HETATM   32  O   UNL     1       0.730  -1.119  -4.067  1.00  0.00           O  
HETATM   33  N   UNL     1       0.100  -2.026   1.761  1.00  0.00           N  
HETATM   34  C   UNL     1       0.981  -2.701   2.724  1.00  0.00           C  
HETATM   35  C   UNL     1       1.638  -1.640   3.615  1.00  0.00           C  
HETATM   36  N   UNL     1       0.593  -0.740   4.122  1.00  0.00           N  
HETATM   37  C   UNL     1      -0.287  -0.064   3.159  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.941  -1.121   2.267  1.00  0.00           C  
HETATM   39  C   UNL     1       0.445  -0.538   5.446  1.00  0.00           C  
HETATM   40  O   UNL     1       1.177  -1.101   6.231  1.00  0.00           O  
HETATM   41  C   UNL     1      -0.631   0.387   5.951  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.584   0.439   7.479  1.00  0.00           C  
HETATM   43  N   UNL     1      -1.633   1.341   7.972  1.00  0.00           N  
HETATM   44  H   UNL     1      -0.157  -2.711  -2.235  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.678  -0.474  -0.348  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.114  -3.147  -0.659  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.393  -2.008   0.679  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.479   0.122   0.291  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.479   0.675  -3.459  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.359  -1.330  -4.340  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.806  -2.601  -2.918  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.531   3.245  -1.434  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.264   2.167  -2.695  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.428   2.917   0.581  1.00  0.00           H  
HETATM   55  H   UNL     1       4.903   0.235  -1.923  1.00  0.00           H  
HETATM   56  H   UNL     1       2.150   2.894  -0.040  1.00  0.00           H  
HETATM   57  H   UNL     1       2.192  -1.867  -3.363  1.00  0.00           H  
HETATM   58  H   UNL     1       2.775  -0.154  -5.058  1.00  0.00           H  
HETATM   59  H   UNL     1       4.469  -0.189  -4.511  1.00  0.00           H  
HETATM   60  H   UNL     1       3.751  -1.627  -5.276  1.00  0.00           H  
HETATM   61  H   UNL     1       3.877  -2.511  -1.662  1.00  0.00           H  
HETATM   62  H   UNL     1       4.395  -3.003  -3.292  1.00  0.00           H  
HETATM   63  H   UNL     1       5.112  -1.565  -2.527  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.797   0.987  -1.110  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.234   2.850   0.502  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.006   1.709   1.100  1.00  0.00           H  
HETATM   67  H   UNL     1       0.490   3.283   0.433  1.00  0.00           H  
HETATM   68  H   UNL     1       0.152   3.737  -2.033  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.448   2.437  -3.091  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.543   3.209  -1.919  1.00  0.00           H  
HETATM   71  H   UNL     1       5.729   1.895  -0.556  1.00  0.00           H  
HETATM   72  H   UNL     1       5.618   4.350  -0.228  1.00  0.00           H  
HETATM   73  H   UNL     1       4.897   3.880  -1.786  1.00  0.00           H  
HETATM   74  H   UNL     1       3.848   4.294  -0.409  1.00  0.00           H  
HETATM   75  H   UNL     1       3.697   2.755   1.552  1.00  0.00           H  
HETATM   76  H   UNL     1       4.638   1.244   1.572  1.00  0.00           H  
HETATM   77  H   UNL     1       5.467   2.811   1.733  1.00  0.00           H  
HETATM   78  H   UNL     1       0.395  -3.384   3.339  1.00  0.00           H  
HETATM   79  H   UNL     1       1.751  -3.257   2.188  1.00  0.00           H  
HETATM   80  H   UNL     1       2.140  -2.125   4.452  1.00  0.00           H  
HETATM   81  H   UNL     1       2.361  -1.070   3.032  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.057   0.490   3.694  1.00  0.00           H  
HETATM   83  H   UNL     1       0.298   0.617   2.543  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.442  -0.635   1.431  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.664  -1.694   2.848  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.468   1.387   5.549  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.606   0.021   5.630  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.746  -0.560   7.882  1.00  0.00           H  
HETATM   89  H   UNL     1       0.390   0.805   7.801  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.564   1.344   8.978  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.386   2.269   7.662  1.00  0.00           H  
CONECT    1    2   30   44                                            
CONECT    2    1    5   14   45                                       
CONECT    3    8   12   13   13                                       
CONECT    4   14   14                                                 
CONECT    5    2    6   46   47                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   48                                       
CONECT    8    3    7    9    9                                       
CONECT    9    8    8   10   49                                       
CONECT   10    9   11   11   50                                       
CONECT   11    6   10   10   51                                       
CONECT   12    3   52   53                                            
CONECT   13    3    3   54                                            
CONECT   14    2    4    4   33                                       
CONECT   15   16   16   20   30                                       
CONECT   16   15   15   17   21                                       
CONECT   17   16   18   18   55                                       
CONECT   18   17   17   19   27                                       
CONECT   19   18   20   20   56                                       
CONECT   20   15   19   19   24                                       
CONECT   21   16   22   23   57                                       
CONECT   22   21   58   59   60                                       
CONECT   23   21   61   62   63                                       
CONECT   24   20   25   26   64                                       
CONECT   25   24   65   66   67                                       
CONECT   26   24   68   69   70                                       
CONECT   27   18   28   29   71                                       
CONECT   28   27   72   73   74                                       
CONECT   29   27   75   76   77                                       
CONECT   30    1   15   31   31                                       
CONECT   30   32   32                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   14   34   38                                            
CONECT   34   33   35   78   79                                       
CONECT   35   34   36   80   81                                       
CONECT   36   35   37   39                                            
CONECT   37   36   38   82   83                                       
CONECT   38   33   37   84   85                                       
CONECT   39   36   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   86   87                                       
CONECT   42   41   43   88   89                                       
CONECT   43   42   90   91                                            
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   41                                                      
CONECT   87   41                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
