COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.658  -2.290   0.615  1.00  0.00           C  
HETATM    2  C   UNL     1       5.481  -3.251   0.061  1.00  0.00           C  
HETATM    3  C   UNL     1       6.283  -2.934  -1.025  1.00  0.00           C  
HETATM    4  C   UNL     1       6.258  -1.653  -1.552  1.00  0.00           C  
HETATM    5  C   UNL     1       2.309  -0.226   0.259  1.00  0.00           C  
HETATM    6  C   UNL     1       1.964  -0.032  -1.064  1.00  0.00           C  
HETATM    7  C   UNL     1       0.667  -0.256  -1.484  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.300  -0.678  -0.579  1.00  0.00           C  
HETATM    9  C   UNL     1       0.036  -0.876   0.751  1.00  0.00           C  
HETATM   10  C   UNL     1       1.347  -0.655   1.175  1.00  0.00           C  
HETATM   11  C   UNL     1       1.713  -0.864   2.591  1.00  0.00           C  
HETATM   12  C   UNL     1       4.061   3.774   0.681  1.00  0.00           C  
HETATM   13  C   UNL     1       3.691   2.492   1.036  1.00  0.00           C  
HETATM   14  C   UNL     1       4.142   1.407   0.305  1.00  0.00           C  
HETATM   15  C   UNL     1       4.968   1.606  -0.791  1.00  0.00           C  
HETATM   16  C   UNL     1       5.341   2.895  -1.149  1.00  0.00           C  
HETATM   17  C   UNL     1       4.889   3.979  -0.414  1.00  0.00           C  
HETATM   18  C   UNL     1       3.725   0.020   0.712  1.00  0.00           C  
HETATM   19  C   UNL     1       4.630  -1.009   0.092  1.00  0.00           C  
HETATM   20  C   UNL     1       5.431  -0.687  -0.993  1.00  0.00           C  
HETATM   21  O   UNL     1       5.421   0.560  -1.522  1.00  0.00           O  
HETATM   22  O   UNL     1       0.883  -0.453   3.569  1.00  0.00           O  
HETATM   23  O   UNL     1       2.763  -1.406   2.873  1.00  0.00           O  
HETATM   24  N   UNL     1      -1.613  -0.897  -1.009  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.647  -0.429  -0.282  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.908  -0.571  -0.736  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.033  -0.062   0.053  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.343  -0.349  -0.682  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.517   0.183   0.143  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.828  -0.104  -0.592  1.00  0.00           C  
HETATM   31  O   UNL     1       7.093  -3.879  -1.572  1.00  0.00           O  
HETATM   32  O   UNL     1       5.253   5.240  -0.766  1.00  0.00           O  
HETATM   33  C   UNL     1     -10.002   0.428   0.232  1.00  0.00           C  
HETATM   34  S   UNL     1      -2.359   0.346   1.217  1.00  0.00           S  
HETATM   35  C   UNL     1     -11.293   0.145  -0.492  1.00  0.00           C  
HETATM   36  O   UNL     1     -11.276  -0.424  -1.558  1.00  0.00           O  
HETATM   37  H   UNL     1       4.031  -2.540   1.458  1.00  0.00           H  
HETATM   38  H   UNL     1       5.499  -4.249   0.474  1.00  0.00           H  
HETATM   39  H   UNL     1       6.883  -1.405  -2.397  1.00  0.00           H  
HETATM   40  H   UNL     1       2.711   0.296  -1.772  1.00  0.00           H  
HETATM   41  H   UNL     1       0.403  -0.102  -2.520  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.714  -1.203   1.456  1.00  0.00           H  
HETATM   43  H   UNL     1       3.706   4.617   1.255  1.00  0.00           H  
HETATM   44  H   UNL     1       3.048   2.335   1.889  1.00  0.00           H  
HETATM   45  H   UNL     1       5.985   3.053  -2.001  1.00  0.00           H  
HETATM   46  H   UNL     1       1.166  -0.611   4.480  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.779  -1.387  -1.830  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.072  -1.009  -1.586  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.046  -0.554   1.026  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.922   1.014   0.192  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.330   0.144  -1.654  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.454  -1.424  -0.821  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.531  -0.309   1.115  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.407   1.258   0.281  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.815   0.388  -1.565  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.939  -1.180  -0.731  1.00  0.00           H  
HETATM   57  H   UNL     1       6.068   5.546  -0.343  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.016  -0.065   1.205  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.892   1.503   0.371  1.00  0.00           H  
HETATM   60  H   UNL     1       3.775  -0.065   1.798  1.00  0.00           H  
HETATM   61  H   UNL     1       6.678  -4.391  -2.279  1.00  0.00           H  
HETATM   62  O   UNL     1     -12.462   0.524   0.048  1.00  0.00           O  
HETATM   63  H   UNL     1     -13.264   0.321  -0.454  1.00  0.00           H  
CONECT    1    2   19   19   37                                       
CONECT    2    1    3    3   38                                       
CONECT    3    2    2   31    4                                       
CONECT    4    3   20   20   39                                       
CONECT    5   10   10    6   18                                       
CONECT    6    7    7    5   40                                       
CONECT    7    8    6    6   41                                       
CONECT    8   24    9    9    7                                       
CONECT    9    8    8   10   42                                       
CONECT   10    9   11    5    5                                       
CONECT   11   23   23   10   22                                       
CONECT   12   13   17   17   43                                       
CONECT   13   14   14   12   44                                       
CONECT   14   18   13   13   15                                       
CONECT   15   14   21   16   16                                       
CONECT   16   15   15   17   45                                       
CONECT   17   12   12   16   32                                       
CONECT   18    5   19   14   60                                       
CONECT   19    1    1   18   20                                       
CONECT   20   19    4    4   21                                       
CONECT   21   20   15                                                 
CONECT   22   11   46                                                 
CONECT   23   11   11                                                 
CONECT   24   25    8   47                                            
CONECT   25   34   34   26   24                                       
CONECT   26   25   27   48                                            
CONECT   27   28   26   49   50                                       
CONECT   28   29   27   51   52                                       
CONECT   29   30   28   53   54                                       
CONECT   30   33   29   55   56                                       
CONECT   31    3   61                                                 
CONECT   32   17   57                                                 
CONECT   33   35   30   58   59                                       
CONECT   34   25   25                                                 
CONECT   35   36   36   33   62                                       
CONECT   36   35   35                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   16                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   18                                                      
CONECT   61   31                                                      
CONECT   62   35   63                                                 
CONECT   63   62                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
