COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.903   2.471  -0.455  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.342   2.178   0.133  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.749   2.925   1.250  1.00  0.00           C  
HETATM    4  N   UNL     1       0.062   3.878   1.701  1.00  0.00           N  
HETATM    5  N   UNL     1       1.647   3.442   0.074  1.00  0.00           N  
HETATM    6  C   UNL     1       8.012  -2.363   2.871  1.00  0.00           C  
HETATM    7  C   UNL     1       7.651  -2.767   1.440  1.00  0.00           C  
HETATM    8  C   UNL     1       6.551  -1.873   0.928  1.00  0.00           C  
HETATM    9  O   UNL     1       6.100  -0.999   1.638  1.00  0.00           O  
HETATM   10  N   UNL     1       6.068  -2.045  -0.319  1.00  0.00           N  
HETATM   11  C   UNL     1       5.118  -1.154  -0.830  1.00  0.00           C  
HETATM   12  C   UNL     1       5.163   0.189  -0.477  1.00  0.00           C  
HETATM   13  C   UNL     1       4.223   1.066  -0.984  1.00  0.00           C  
HETATM   14  C   UNL     1       4.131  -1.609  -1.695  1.00  0.00           C  
HETATM   15  C   UNL     1       3.198  -0.726  -2.202  1.00  0.00           C  
HETATM   16  C   UNL     1       3.239   0.608  -1.840  1.00  0.00           C  
HETATM   17  C   UNL     1       2.219   1.569  -2.396  1.00  0.00           C  
HETATM   18  N   UNL     1       1.057   1.615  -1.506  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.068   0.788  -1.601  1.00  0.00           N  
HETATM   20  C   UNL     1       1.222   4.119   1.118  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.962   2.678   1.863  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.920   1.082  -0.646  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.224   0.431  -0.406  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.358   1.086  -0.155  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.484  -1.302  -0.422  1.00  0.00           S  
HETATM   26  C   UNL     1      -4.197  -1.119  -0.067  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.516   0.236   0.048  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.853   0.600   0.333  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.811  -0.353   0.492  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.228   0.057   0.798  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.494  -1.699   0.379  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.199  -2.086   0.098  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.894  -3.406  -0.012  1.00  0.00           O  
HETATM   34  C   UNL     1      -5.962  -4.337   0.175  1.00  0.00           C  
HETATM   35  H   UNL     1       8.351  -1.327   2.881  1.00  0.00           H  
HETATM   36  H   UNL     1       7.134  -2.465   3.509  1.00  0.00           H  
HETATM   37  H   UNL     1       8.807  -3.010   3.241  1.00  0.00           H  
HETATM   38  H   UNL     1       8.528  -2.665   0.801  1.00  0.00           H  
HETATM   39  H   UNL     1       7.312  -3.803   1.429  1.00  0.00           H  
HETATM   40  H   UNL     1       6.379  -2.786  -0.861  1.00  0.00           H  
HETATM   41  H   UNL     1       5.931   0.547   0.192  1.00  0.00           H  
HETATM   42  H   UNL     1       4.257   2.110  -0.710  1.00  0.00           H  
HETATM   43  H   UNL     1       4.094  -2.652  -1.971  1.00  0.00           H  
HETATM   44  H   UNL     1       2.429  -1.080  -2.872  1.00  0.00           H  
HETATM   45  H   UNL     1       2.660   2.563  -2.470  1.00  0.00           H  
HETATM   46  H   UNL     1       1.906   1.235  -3.385  1.00  0.00           H  
HETATM   47  H   UNL     1       1.850   4.902   1.518  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.552   1.993   1.512  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.223   3.188   2.645  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.411   2.164  -0.106  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.115   1.644   0.424  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.363   0.120   1.878  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.430   1.030   0.350  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.917  -0.681   0.388  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.263  -2.447   0.508  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.583  -5.352   0.060  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.379  -4.215   1.174  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.738  -4.153  -0.568  1.00  0.00           H  
CONECT    1    2   18    5    5                                       
CONECT    2    3    3   22    1                                       
CONECT    3   21    2    2    4                                       
CONECT    4    3   20   20                                            
CONECT    5    1    1   20                                            
CONECT    6    7   35   36   37                                       
CONECT    7    6    8   38   39                                       
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   40                                            
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11   41                                       
CONECT   13   16   12   12   42                                       
CONECT   14   15   11   11   43                                       
CONECT   15   16   16   14   44                                       
CONECT   16   17   15   15   13                                       
CONECT   17   18   16   45   46                                       
CONECT   18   19    1   17                                            
CONECT   19   22   22   18                                            
CONECT   20    4    4    5   47                                       
CONECT   21    3   48   49                                            
CONECT   22   23    2   19   19                                       
CONECT   23   24   24   25   22                                       
CONECT   24   27   23   23   50                                       
CONECT   25   26   23                                                 
CONECT   26   32   32   27   25                                       
CONECT   27   28   28   26   24                                       
CONECT   28   29   27   27   51                                       
CONECT   29   30   31   31   28                                       
CONECT   30   29   52   53   54                                       
CONECT   31   29   29   32   55                                       
CONECT   32   31   33   26   26                                       
CONECT   33   34   32                                                 
CONECT   34   33   56   57   58                                       
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
