COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.171  -3.561   2.117  1.00  0.00           C  
HETATM    2  C   UNL     1       3.897   0.236  -1.035  1.00  0.00           C  
HETATM    3  C   UNL     1       3.159  -1.059  -1.382  1.00  0.00           C  
HETATM    4  C   UNL     1       1.584  -3.231  -0.521  1.00  0.00           C  
HETATM    5  C   UNL     1       0.759  -3.881   0.593  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.345  -2.917   1.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.443  -1.929  -1.177  1.00  0.00           C  
HETATM    8  C   UNL     1       0.657  -2.864  -1.683  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.355  -1.784   0.302  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.514  -0.652  -1.301  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.833   2.878   1.573  1.00  0.00           C  
HETATM   12  C   UNL     1       4.494   0.873  -2.310  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.567   2.304   1.858  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.661   0.158  -0.887  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.846   0.287  -1.810  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.015  -1.006  -2.610  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.624   1.457  -2.769  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.933   1.371   0.079  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.679   1.463   0.723  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.353  -1.687  -0.854  1.00  0.00           C  
HETATM   21  C   UNL     1       5.845   1.456  -1.841  1.00  0.00           C  
HETATM   22  C   UNL     1       5.905   1.103  -0.338  1.00  0.00           C  
HETATM   23  C   UNL     1       7.802  -0.498   0.115  1.00  0.00           C  
HETATM   24  C   UNL     1       9.393   0.854   0.701  1.00  0.00           C  
HETATM   25  C   UNL     1      10.568   1.508   1.107  1.00  0.00           C  
HETATM   26  C   UNL     1       9.466   3.528   0.921  1.00  0.00           C  
HETATM   27  C   UNL     1       8.262   1.637   0.415  1.00  0.00           C  
HETATM   28  N   UNL     1       7.275   0.757   0.050  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.659   2.998   2.250  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.637   0.754   0.271  1.00  0.00           N  
HETATM   31  N   UNL     1      -9.054   0.529  -1.004  1.00  0.00           N  
HETATM   32  N   UNL     1       9.044  -0.440   0.500  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.501  -0.876  -0.440  1.00  0.00           N  
HETATM   34  N   UNL     1      11.713   0.789   1.403  1.00  0.00           N  
HETATM   35  N   UNL     1      10.554   2.834   1.201  1.00  0.00           N  
HETATM   36  N   UNL     1       8.344   2.958   0.537  1.00  0.00           N  
HETATM   37  N   UNL     1      -1.204  -2.598  -0.113  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.960   2.086   0.525  1.00  0.00           N  
HETATM   39  N   UNL     1     -10.917   3.596   1.995  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.234  -4.069   1.845  1.00  0.00           O  
HETATM   41  O   UNL     1       3.407  -2.114   1.022  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.725  -3.576   3.383  1.00  0.00           O  
HETATM   43  O   UNL     1       1.374  -0.828   0.545  1.00  0.00           O  
HETATM   44  O   UNL     1       5.036  -0.044  -0.192  1.00  0.00           O  
HETATM   45  O   UNL     1       3.642   1.911  -2.797  1.00  0.00           O  
HETATM   46  O   UNL     1       5.869   2.873  -2.024  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.474  -1.124  -2.422  1.00  0.00           O  
HETATM   48  O   UNL     1      -6.515   2.399   2.465  1.00  0.00           O  
HETATM   49  S   UNL     1       2.383  -1.731   0.114  1.00  0.00           S  
HETATM   50  H   UNL     1       3.223   0.936  -0.542  1.00  0.00           H  
HETATM   51  H   UNL     1       2.392  -0.851  -2.128  1.00  0.00           H  
HETATM   52  H   UNL     1       3.868  -1.785  -1.781  1.00  0.00           H  
HETATM   53  H   UNL     1       2.345  -3.930  -0.867  1.00  0.00           H  
HETATM   54  H   UNL     1       0.310  -4.803   0.223  1.00  0.00           H  
HETATM   55  H   UNL     1       1.406  -4.106   1.441  1.00  0.00           H  
HETATM   56  H   UNL     1       0.105  -2.001   1.417  1.00  0.00           H  
HETATM   57  H   UNL     1       0.007  -1.018  -0.783  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.113  -1.677  -1.999  1.00  0.00           H  
HETATM   59  H   UNL     1       1.231  -2.362  -2.462  1.00  0.00           H  
HETATM   60  H   UNL     1       0.207  -3.770  -2.089  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.015  -0.785   0.573  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.838  -2.250   1.161  1.00  0.00           H  
HETATM   63  H   UNL     1       4.648   0.115  -3.079  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.001  -1.859  -1.930  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.966  -0.982  -3.143  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.199  -1.099  -3.327  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.724   1.279  -3.358  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.481   1.549  -3.436  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.507   2.378  -2.198  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.870  -1.221  -1.713  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.694  -2.686  -1.125  1.00  0.00           H  
HETATM   72  H   UNL     1       6.670   0.987  -2.377  1.00  0.00           H  
HETATM   73  H   UNL     1       5.539   1.936   0.262  1.00  0.00           H  
HETATM   74  H   UNL     1       7.267  -1.408  -0.116  1.00  0.00           H  
HETATM   75  H   UNL     1       9.499   4.604   1.010  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.605   3.586   3.020  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.901   0.113  -1.228  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.532  -0.500   0.454  1.00  0.00           H  
HETATM   79  H   UNL     1      11.711  -0.178   1.330  1.00  0.00           H  
HETATM   80  H   UNL     1      12.518   1.253   1.682  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.762   3.519   1.526  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.840   4.182   2.764  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.290  -4.001   4.042  1.00  0.00           H  
HETATM   84  H   UNL     1       3.969   2.346  -3.597  1.00  0.00           H  
HETATM   85  H   UNL     1       5.834   3.151  -2.949  1.00  0.00           H  
CONECT    1    6   40   40   42                                       
CONECT    2   12   44    3   50                                       
CONECT    3    2   49   51   52                                       
CONECT    4    8   49    5   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6   37    5    1   56                                       
CONECT    7    8   37   57   58                                       
CONECT    8    7    4   59   60                                       
CONECT    9   37   20   61   62                                       
CONECT   10   33   14   47   47                                       
CONECT   11   29   39   38   38                                       
CONECT   12   21   45    2   63                                       
CONECT   13   48   48   29   19                                       
CONECT   14   30   30   10   15                                       
CONECT   15   14   31   16   17                                       
CONECT   16   15   64   65   66                                       
CONECT   17   15   67   68   69                                       
CONECT   18   19   19   38   31                                       
CONECT   19   13   30   18   18                                       
CONECT   20    9   33   70   71                                       
CONECT   21   46   22   12   72                                       
CONECT   22   21   28   44   73                                       
CONECT   23   32   32   28   74                                       
CONECT   24   25   27   27   32                                       
CONECT   25   35   35   34   24                                       
CONECT   26   35   36   36   75                                       
CONECT   27   36   24   24   28                                       
CONECT   28   27   23   22                                            
CONECT   29   13   11   76                                            
CONECT   30   19   14   14                                            
CONECT   31   18   15   77                                            
CONECT   32   24   23   23                                            
CONECT   33   20   10   78                                            
CONECT   34   25   79   80                                            
CONECT   35   26   25   25                                            
CONECT   36   26   26   27                                            
CONECT   37    7    9    6                                            
CONECT   38   11   11   18                                            
CONECT   39   11   81   82                                            
CONECT   40    1    1                                                 
CONECT   41   49   49                                                 
CONECT   42    1   83                                                 
CONECT   43   49   49                                                 
CONECT   44   22    2                                                 
CONECT   45   12   84                                                 
CONECT   46   21   85                                                 
CONECT   47   10   10                                                 
CONECT   48   13   13                                                 
CONECT   49    3    4   41   41                                       
CONECT   49   43   43                                                 
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   12                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   26                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   42                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
