COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.521   1.918   0.174  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.762  -1.876  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1       1.921  -1.047   0.026  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.205   0.033   0.415  1.00  0.00           N  
HETATM    5  C   UNL     1       2.969  -0.488   0.990  1.00  0.00           C  
HETATM    6  O   UNL     1       5.234   0.440   2.121  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.377   0.631   0.434  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.168  -0.916   0.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.164  -2.075   0.179  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.948   2.535  -0.413  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.106   1.548  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.201   2.088  -0.157  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.485  -2.447  -1.161  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.101   0.715   0.127  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.768   0.404   0.026  1.00  0.00           N  
HETATM   16  C   UNL     1       5.328   0.120   0.951  1.00  0.00           C  
HETATM   17  N   UNL     1       6.508   0.242   0.312  1.00  0.00           N  
HETATM   18  C   UNL     1       7.678   0.759   1.025  1.00  0.00           C  
HETATM   19  C   UNL     1       8.860   0.795   0.091  1.00  0.00           C  
HETATM   20  C   UNL     1       9.692  -0.304  -0.013  1.00  0.00           C  
HETATM   21  C   UNL     1      10.773  -0.273  -0.874  1.00  0.00           C  
HETATM   22  C   UNL     1      11.023   0.857  -1.630  1.00  0.00           C  
HETATM   23  C   UNL     1      10.191   1.956  -1.526  1.00  0.00           C  
HETATM   24  C   UNL     1       9.110   1.925  -0.664  1.00  0.00           C  
HETATM   25  N   UNL     1       4.251  -0.356   0.295  1.00  0.00           N  
HETATM   26  S   UNL     1       0.333  -1.211   0.887  1.00  0.00           S  
HETATM   27  O   UNL     1      -2.751  -0.799   0.487  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.070  -2.756  -0.865  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.557  -4.003  -0.368  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.237  -1.758  -1.064  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.475   2.681  -0.124  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.635   4.029  -0.396  1.00  0.00           N  
HETATM   33  H   UNL     1      -0.373  -2.833  -0.746  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.808  -1.178  -1.233  1.00  0.00           H  
HETATM   35  H   UNL     1       1.807  -0.369  -0.820  1.00  0.00           H  
HETATM   36  H   UNL     1       2.242  -2.025  -0.333  1.00  0.00           H  
HETATM   37  H   UNL     1       2.647   0.490   1.349  1.00  0.00           H  
HETATM   38  H   UNL     1       3.082  -1.166   1.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.254   0.048   0.672  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.663  -1.435   1.056  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.111  -2.688   1.079  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.039   1.625  -0.458  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.576  -2.988  -1.957  1.00  0.00           H  
HETATM   44  H   UNL     1       6.582  -0.013  -0.621  1.00  0.00           H  
HETATM   45  H   UNL     1       7.468   1.767   1.385  1.00  0.00           H  
HETATM   46  H   UNL     1       7.903   0.111   1.872  1.00  0.00           H  
HETATM   47  H   UNL     1       9.497  -1.187   0.577  1.00  0.00           H  
HETATM   48  H   UNL     1      11.424  -1.132  -0.955  1.00  0.00           H  
HETATM   49  H   UNL     1      11.869   0.882  -2.301  1.00  0.00           H  
HETATM   50  H   UNL     1      10.386   2.839  -2.116  1.00  0.00           H  
HETATM   51  H   UNL     1       8.458   2.783  -0.586  1.00  0.00           H  
HETATM   52  H   UNL     1       4.326  -0.611  -0.638  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.529  -2.904  -1.800  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.133  -4.475  -0.985  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.069  -1.134  -1.942  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.864   4.575  -0.613  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.519   4.426  -0.370  1.00  0.00           H  
CONECT    1   31   31    7                                            
CONECT    2   26    9   33   34                                       
CONECT    3   26    5   35   36                                       
CONECT    4   14    7    7                                            
CONECT    5    3   25   37   38                                       
CONECT    6   16   16                                                 
CONECT    7    1    4    4   39                                       
CONECT    8   15   27   30   40                                       
CONECT    9    2   27   28   41                                       
CONECT   10   12   11   11                                            
CONECT   11   10   10   15   42                                       
CONECT   12   10   31   14   14                                       
CONECT   13   30   43                                                 
CONECT   14   12   12   15    4                                       
CONECT   15   11   14    8                                            
CONECT   16   25   17    6    6                                       
CONECT   17   16   18   44                                            
CONECT   18   19   17   45   46                                       
CONECT   19   20   20   24   18                                       
CONECT   20   21   19   19   47                                       
CONECT   21   22   22   20   48                                       
CONECT   22   21   21   23   49                                       
CONECT   23   22   24   24   50                                       
CONECT   24   23   23   19   51                                       
CONECT   25    5   16   52                                            
CONECT   26    2    3                                                 
CONECT   27    8    9                                                 
CONECT   28    9   30   29   53                                       
CONECT   29   28   54                                                 
CONECT   30    8   28   13   55                                       
CONECT   31   32   12    1    1                                       
CONECT   32   31   56   57                                            
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
