COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.961  -2.412  -1.301  1.00  0.00           N  
HETATM    2  N   UNL     1       0.763  -0.437   0.288  1.00  0.00           N  
HETATM    3  C   UNL     1       2.998   1.761  -1.635  1.00  0.00           C  
HETATM    4  C   UNL     1       3.149   1.062  -0.258  1.00  0.00           C  
HETATM    5  C   UNL     1       3.035  -0.421  -0.531  1.00  0.00           C  
HETATM    6  C   UNL     1       4.100  -1.113  -1.059  1.00  0.00           C  
HETATM    7  C   UNL     1       2.830  -3.032  -1.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.473  -1.169   0.574  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.586   1.915   1.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.920   0.279  -0.025  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.639   0.970  -0.275  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.372  -1.820   1.955  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.663  -2.584   2.254  1.00  0.00           C  
HETATM   14  C   UNL     1       0.811  -2.790   1.976  1.00  0.00           C  
HETATM   15  O   UNL     1      -5.686  -1.524  -0.152  1.00  0.00           O  
HETATM   16  S   UNL     1      -5.417  -0.277  -0.779  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.162  -0.194  -2.174  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.985   2.346  -0.471  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.915   2.542   0.588  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.805   1.535   0.522  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.514   1.051   1.100  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.839  -0.592  -0.010  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.639  -0.213   0.554  1.00  0.00           C  
HETATM   24  C   UNL     1       1.852  -1.102  -0.252  1.00  0.00           C  
HETATM   25  C   UNL     1       4.412   1.694  -2.250  1.00  0.00           C  
HETATM   26  N   UNL     1       4.564   1.321   0.112  1.00  0.00           N  
HETATM   27  C   UNL     1       5.061   1.689   1.310  1.00  0.00           C  
HETATM   28  O   UNL     1       4.316   1.848   2.253  1.00  0.00           O  
HETATM   29  C   UNL     1       6.544   1.903   1.476  1.00  0.00           C  
HETATM   30  N   UNL     1       1.791  -2.405  -0.517  1.00  0.00           N  
HETATM   31  C   UNL     1       5.412  -0.435  -1.351  1.00  0.00           C  
HETATM   32  C   UNL     1       5.297   1.077  -1.152  1.00  0.00           C  
HETATM   33  H   UNL     1       0.819   0.513   0.477  1.00  0.00           H  
HETATM   34  H   UNL     1       2.284   1.223  -2.260  1.00  0.00           H  
HETATM   35  H   UNL     1       2.684   2.797  -1.505  1.00  0.00           H  
HETATM   36  H   UNL     1       2.431   1.415   0.482  1.00  0.00           H  
HETATM   37  H   UNL     1       2.751  -4.089  -1.240  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.623  -1.940  -0.181  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.480   2.903   1.506  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.530   0.890  -0.898  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.905   0.829   0.773  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.223  -1.049   2.711  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.813  -3.355   1.498  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.591  -3.049   3.238  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.506  -1.893   2.239  1.00  0.00           H  
HETATM   46  H   UNL     1       1.731  -2.246   1.763  1.00  0.00           H  
HETATM   47  H   UNL     1       0.883  -3.254   2.959  1.00  0.00           H  
HETATM   48  H   UNL     1       0.662  -3.561   1.220  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.532   2.397  -1.461  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.741   3.126  -0.376  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.488   3.538   0.472  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.382   2.478   1.571  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.577   1.360   1.539  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.939  -1.576  -0.444  1.00  0.00           H  
HETATM   55  H   UNL     1       4.410   1.059  -3.137  1.00  0.00           H  
HETATM   56  H   UNL     1       4.763   2.695  -2.503  1.00  0.00           H  
HETATM   57  H   UNL     1       6.787   2.944   1.260  1.00  0.00           H  
HETATM   58  H   UNL     1       6.832   1.668   2.501  1.00  0.00           H  
HETATM   59  H   UNL     1       7.084   1.253   0.789  1.00  0.00           H  
HETATM   60  H   UNL     1       6.175  -0.828  -0.680  1.00  0.00           H  
HETATM   61  H   UNL     1       5.700  -0.640  -2.382  1.00  0.00           H  
HETATM   62  H   UNL     1       6.283   1.541  -1.128  1.00  0.00           H  
CONECT    1    6    7    7                                            
CONECT    2   24    8   33                                            
CONECT    3   25    4   34   35                                       
CONECT    4    3   26    5   36                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5    1   31                                       
CONECT    7    1    1   30   37                                       
CONECT    8    2   23   12   38                                       
CONECT    9   21   20   20   39                                       
CONECT   10   20   22   22   16                                       
CONECT   11   16   18   40   41                                       
CONECT   12    8   13   14   42                                       
CONECT   13   12   43   44   45                                       
CONECT   14   12   46   47   48                                       
CONECT   15   16   16                                                 
CONECT   16   10   17   17   15                                       
CONECT   16   15   11                                                 
CONECT   17   16   16                                                 
CONECT   18   11   19   49   50                                       
CONECT   19   18   20   51   52                                       
CONECT   20    9    9   10   19                                       
CONECT   21   23   23    9   53                                       
CONECT   22   10   10   23   54                                       
CONECT   23    8   21   21   22                                       
CONECT   24   30   30    5    2                                       
CONECT   25   32    3   55   56                                       
CONECT   26   27   32    4                                            
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   27   57   58   59                                       
CONECT   30    7   24   24                                            
CONECT   31    6   32   60   61                                       
CONECT   32   26   25   31   62                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
