COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.111   1.224  -0.058  1.00  0.00           C  
HETATM    2  O   UNL     1       0.826   1.118  -0.432  1.00  0.00           O  
HETATM    3  O   UNL     1       2.402   1.851   0.933  1.00  0.00           O  
HETATM    4  C   UNL     1       3.190   0.556  -0.871  1.00  0.00           C  
HETATM    5  C   UNL     1       4.553   0.831  -0.232  1.00  0.00           C  
HETATM    6  C   UNL     1       5.648   0.152  -1.057  1.00  0.00           C  
HETATM    7  C   UNL     1       7.011   0.427  -0.419  1.00  0.00           C  
HETATM    8  C   UNL     1       8.107  -0.251  -1.244  1.00  0.00           C  
HETATM    9  S   UNL     1       7.951  -2.082  -1.156  1.00  0.00           S  
HETATM   10  C   UNL     1       9.737  -2.403  -1.452  1.00  0.00           C  
HETATM   11  C   UNL     1      10.418  -1.218  -0.740  1.00  0.00           C  
HETATM   12  N   UNL     1      10.699  -1.587   0.656  1.00  0.00           N  
HETATM   13  C   UNL     1      10.057  -0.739   1.471  1.00  0.00           C  
HETATM   14  O   UNL     1      10.115  -0.812   2.683  1.00  0.00           O  
HETATM   15  N   UNL     1       9.347   0.198   0.828  1.00  0.00           N  
HETATM   16  C   UNL     1       9.495   0.001  -0.623  1.00  0.00           C  
HETATM   17  P   UNL     1      -0.268   1.855   0.492  1.00  0.00           P  
HETATM   18  O   UNL     1       0.086   3.285   0.630  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.292   1.166   1.947  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.721   1.724  -0.188  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.886   2.363   0.336  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.091   2.032  -0.547  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.394   0.630  -0.455  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.331   2.803  -0.053  1.00  0.00           C  
HETATM   25  O   UNL     1      -5.826   3.664  -1.079  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.362   1.694   0.270  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.670   2.073  -0.163  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.828   0.501  -0.563  1.00  0.00           C  
HETATM   29  N   UNL     1      -6.276  -0.770   0.011  1.00  0.00           N  
HETATM   30  C   UNL     1      -5.617  -1.510   0.947  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.300  -2.580   1.230  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.438  -2.596   0.496  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.528  -3.475   0.382  1.00  0.00           C  
HETATM   34  N   UNL     1      -8.586  -4.634   1.136  1.00  0.00           N  
HETATM   35  N   UNL     1      -9.504  -3.167  -0.467  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.458  -2.064  -1.191  1.00  0.00           C  
HETATM   37  N   UNL     1      -8.457  -1.212  -1.117  1.00  0.00           N  
HETATM   38  C   UNL     1      -7.439  -1.432  -0.292  1.00  0.00           C  
HETATM   39  H   UNL     1       3.011  -0.519  -0.898  1.00  0.00           H  
HETATM   40  H   UNL     1       3.178   0.953  -1.886  1.00  0.00           H  
HETATM   41  H   UNL     1       4.732   1.906  -0.205  1.00  0.00           H  
HETATM   42  H   UNL     1       4.565   0.434   0.783  1.00  0.00           H  
HETATM   43  H   UNL     1       5.470  -0.923  -1.085  1.00  0.00           H  
HETATM   44  H   UNL     1       5.636   0.549  -2.073  1.00  0.00           H  
HETATM   45  H   UNL     1       7.190   1.502  -0.392  1.00  0.00           H  
HETATM   46  H   UNL     1       7.023   0.031   0.596  1.00  0.00           H  
HETATM   47  H   UNL     1       8.076   0.090  -2.279  1.00  0.00           H  
HETATM   48  H   UNL     1      10.039  -3.349  -1.002  1.00  0.00           H  
HETATM   49  H   UNL     1       9.960  -2.393  -2.519  1.00  0.00           H  
HETATM   50  H   UNL     1      11.342  -0.950  -1.253  1.00  0.00           H  
HETATM   51  H   UNL     1      11.258  -2.327   0.941  1.00  0.00           H  
HETATM   52  H   UNL     1       8.820   0.894   1.251  1.00  0.00           H  
HETATM   53  H   UNL     1       9.960   0.873  -1.081  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.517   0.225   1.933  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.070   2.007   1.350  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.733   3.442   0.352  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.875   2.298  -1.582  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.091   3.376   0.843  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.607   4.173  -0.822  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.360   1.458   1.334  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.011   2.870   0.266  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.144   0.587  -1.603  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.667  -1.246   1.389  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.868  -4.847   1.752  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.344  -5.233   1.048  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.272  -1.852  -1.868  1.00  0.00           H  
CONECT    1    2    3    3    4                                       
CONECT    2    1   17                                                 
CONECT    3    1    1                                                 
CONECT    4    1    5   39   40                                       
CONECT    5    4    6   41   42                                       
CONECT    6    5    7   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   16   47                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   16   50                                       
CONECT   12   11   13   51                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   52                                            
CONECT   16    8   11   15   53                                       
CONECT   17    2   18   18   19                                       
CONECT   17   20                                                      
CONECT   18   17   17                                                 
CONECT   19   17   54                                                 
CONECT   20   17   21                                                 
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   24   57                                       
CONECT   23   22   28                                                 
CONECT   24   22   25   26   58                                       
CONECT   25   24   59                                                 
CONECT   26   24   27   28   60                                       
CONECT   27   26   61                                                 
CONECT   28   23   26   29   62                                       
CONECT   29   28   30   38                                            
CONECT   30   29   31   31   63                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   38                                       
CONECT   33   32   32   34   35                                       
CONECT   34   33   64   65                                            
CONECT   35   33   36   36                                            
CONECT   36   35   35   37   66                                       
CONECT   37   36   38   38                                            
CONECT   38   29   32   37   37                                       
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   30                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
