COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.518  -0.455  -0.409  1.00  0.00           C  
HETATM    2  C   UNL     1       2.230   0.146  -0.021  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.485  -2.366   0.841  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.576  -2.951   0.226  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.643  -3.202   2.354  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.725  -0.362  -1.306  1.00  0.00           C  
HETATM    7  C   UNL     1       3.434   5.239   1.789  1.00  0.00           C  
HETATM    8  C   UNL     1       2.281   5.197   0.784  1.00  0.00           C  
HETATM    9  C   UNL     1       1.014   4.698   1.482  1.00  0.00           C  
HETATM   10  C   UNL     1       2.037   6.602   0.228  1.00  0.00           C  
HETATM   11  C   UNL     1       2.910   3.024   0.023  1.00  0.00           C  
HETATM   12  C   UNL     1       3.515   0.746  -0.593  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.310  -1.910   0.016  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.655  -3.369   0.982  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.555  -2.613   2.969  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.476  -2.194   2.213  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.130  -0.156  -1.642  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.393  -0.034  -0.786  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.618   0.061  -1.697  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.862   0.182  -0.855  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.543  -0.953  -0.441  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.682  -0.793   0.333  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.099   0.482   0.663  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.336   1.425  -0.481  1.00  0.00           C  
HETATM   25  C   UNL     1       4.632   0.646   0.448  1.00  0.00           C  
HETATM   26  C   UNL     1       4.966  -0.803   0.689  1.00  0.00           C  
HETATM   27  C   UNL     1       5.830  -1.484  -0.185  1.00  0.00           C  
HETATM   28  C   UNL     1       6.401  -0.840  -1.296  1.00  0.00           C  
HETATM   29  C   UNL     1       7.234  -1.531  -2.120  1.00  0.00           C  
HETATM   30  C   UNL     1       7.531  -2.872  -1.881  1.00  0.00           C  
HETATM   31  C   UNL     1       6.997  -3.528  -0.815  1.00  0.00           C  
HETATM   32  C   UNL     1       6.133  -2.847   0.059  1.00  0.00           C  
HETATM   33  C   UNL     1       5.562  -3.491   1.170  1.00  0.00           C  
HETATM   34  C   UNL     1       4.729  -2.800   1.995  1.00  0.00           C  
HETATM   35  C   UNL     1       4.436  -1.459   1.758  1.00  0.00           C  
HETATM   36  N   UNL     1       3.289   2.153  -0.933  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.957  -0.247  -0.769  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.427   1.539   0.251  1.00  0.00           N  
HETATM   39  O   UNL     1       2.621   4.298  -0.304  1.00  0.00           O  
HETATM   40  O   UNL     1       2.829   2.660   1.179  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.589  -0.391  -2.511  1.00  0.00           O  
HETATM   42  S   UNL     1       0.947   0.129  -1.304  1.00  0.00           S  
HETATM   43  H   UNL     1      -0.674   0.163   0.476  1.00  0.00           H  
HETATM   44  H   UNL     1       2.422  -0.873   0.314  1.00  0.00           H  
HETATM   45  H   UNL     1       1.892   0.748   0.822  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.585  -3.082  -0.846  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.486  -3.529   2.945  1.00  0.00           H  
HETATM   48  H   UNL     1       3.653   4.228   2.134  1.00  0.00           H  
HETATM   49  H   UNL     1       4.318   5.660   1.310  1.00  0.00           H  
HETATM   50  H   UNL     1       3.152   5.860   2.640  1.00  0.00           H  
HETATM   51  H   UNL     1       0.760   5.372   2.299  1.00  0.00           H  
HETATM   52  H   UNL     1       0.193   4.668   0.766  1.00  0.00           H  
HETATM   53  H   UNL     1       1.188   3.697   1.878  1.00  0.00           H  
HETATM   54  H   UNL     1       2.940   6.957  -0.269  1.00  0.00           H  
HETATM   55  H   UNL     1       1.216   6.571  -0.488  1.00  0.00           H  
HETATM   56  H   UNL     1       1.783   7.276   1.046  1.00  0.00           H  
HETATM   57  H   UNL     1       3.805   0.198  -1.490  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.222  -2.539  -0.870  1.00  0.00           H  
HETATM   59  H   UNL     1       0.602  -1.988   0.609  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.507  -3.826   0.501  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.545  -2.482   4.041  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.625  -1.734   2.693  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.194  -1.053  -2.258  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.039   0.720  -2.283  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.484  -0.910  -0.145  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.328   0.863  -0.170  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.528   0.937  -2.339  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.683  -0.836  -2.314  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.193  -1.938  -0.715  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.238  -1.655   0.673  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.986   0.615   1.265  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.809   2.314  -0.796  1.00  0.00           H  
HETATM   73  H   UNL     1       5.517   1.167   0.083  1.00  0.00           H  
HETATM   74  H   UNL     1       4.301   1.103   1.381  1.00  0.00           H  
HETATM   75  H   UNL     1       6.180   0.199  -1.494  1.00  0.00           H  
HETATM   76  H   UNL     1       7.672  -1.034  -2.973  1.00  0.00           H  
HETATM   77  H   UNL     1       8.195  -3.398  -2.551  1.00  0.00           H  
HETATM   78  H   UNL     1       7.236  -4.567  -0.643  1.00  0.00           H  
HETATM   79  H   UNL     1       5.784  -4.530   1.368  1.00  0.00           H  
HETATM   80  H   UNL     1       4.292  -3.298   2.848  1.00  0.00           H  
HETATM   81  H   UNL     1       3.776  -0.932   2.431  1.00  0.00           H  
HETATM   82  H   UNL     1       3.412   2.457  -1.846  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.065  -0.223   0.194  1.00  0.00           H  
CONECT    1   13   42    6   43                                       
CONECT    2   42   12   44   45                                       
CONECT    3    4    4   16   13                                       
CONECT    4   14    3    3   46                                       
CONECT    5   14   14   15   47                                       
CONECT    6    1   41   41   37                                       
CONECT    7    8   48   49   50                                       
CONECT    8    7   10    9   39                                       
CONECT    9    8   51   52   53                                       
CONECT   10    8   54   55   56                                       
CONECT   11   36   39   40   40                                       
CONECT   12    2   36   25   57                                       
CONECT   13    3    1   58   59                                       
CONECT   14    5    5    4   60                                       
CONECT   15    5   16   16   61                                       
CONECT   16   15   15    3   62                                       
CONECT   17   37   18   63   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   20   67   68                                       
CONECT   20   19   21   21   24                                       
CONECT   21   20   20   22   69                                       
CONECT   22   21   23   23   70                                       
CONECT   23   22   22   38   71                                       
CONECT   24   20   38   38   72                                       
CONECT   25   12   26   73   74                                       
CONECT   26   25   27   27   35                                       
CONECT   27   28   26   26   32                                       
CONECT   28   29   29   27   75                                       
CONECT   29   28   28   30   76                                       
CONECT   30   29   31   31   77                                       
CONECT   31   30   30   32   78                                       
CONECT   32   27   31   33   33                                       
CONECT   33   32   32   34   79                                       
CONECT   34   35   35   33   80                                       
CONECT   35   26   34   34   81                                       
CONECT   36   12   11   82                                            
CONECT   37    6   17   83                                            
CONECT   38   24   24   23                                            
CONECT   39    8   11                                                 
CONECT   40   11   11                                                 
CONECT   41    6    6                                                 
CONECT   42    1    2                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
