COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.124  -3.035   0.171  1.00  0.00           O  
HETATM    2  C   UNL     1       3.073  -2.393   0.707  1.00  0.00           C  
HETATM    3  O   UNL     1       2.576  -2.798   1.732  1.00  0.00           O  
HETATM    4  C   UNL     1       2.513  -1.169   0.031  1.00  0.00           C  
HETATM    5  C   UNL     1       3.388   0.032   0.382  1.00  0.00           C  
HETATM    6  C   UNL     1       3.965   0.648  -0.867  1.00  0.00           C  
HETATM    7  C   UNL     1       5.335   0.718  -1.033  1.00  0.00           C  
HETATM    8  C   UNL     1       5.864   1.283  -2.179  1.00  0.00           C  
HETATM    9  C   UNL     1       5.022   1.778  -3.158  1.00  0.00           C  
HETATM   10  C   UNL     1       3.652   1.707  -2.991  1.00  0.00           C  
HETATM   11  C   UNL     1       3.123   1.138  -1.848  1.00  0.00           C  
HETATM   12  S   UNL     1       2.249   1.191   1.196  1.00  0.00           S  
HETATM   13  N   UNL     1       1.121  -0.996   0.444  1.00  0.00           N  
HETATM   14  C   UNL     1       0.131  -1.918   0.250  1.00  0.00           C  
HETATM   15  O   UNL     1       0.400  -2.972  -0.306  1.00  0.00           O  
HETATM   16  C   UNL     1       0.810   0.169   1.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.481   0.432   1.494  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.790   1.739   2.178  1.00  0.00           C  
HETATM   19  C   UNL     1       0.055   2.955   1.794  1.00  0.00           C  
HETATM   20  C   UNL     1       0.250   2.287   3.157  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.491  -0.502   1.300  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.175  -1.688   0.671  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.898  -0.226   1.766  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.647   0.515   0.689  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.700   1.875   0.705  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.388   2.578  -0.282  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.028   1.925  -1.291  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.995   0.521  -1.340  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.291  -0.193  -0.339  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.643  -0.188  -2.366  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.590  -1.548  -2.382  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.902  -2.251  -1.395  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.254  -1.597  -0.392  1.00  0.00           C  
HETATM   34  H   UNL     1       2.541  -1.320  -1.049  1.00  0.00           H  
HETATM   35  H   UNL     1       4.186  -0.264   1.064  1.00  0.00           H  
HETATM   36  H   UNL     1       5.993   0.332  -0.269  1.00  0.00           H  
HETATM   37  H   UNL     1       2.052   1.079  -1.719  1.00  0.00           H  
HETATM   38  H   UNL     1       6.935   1.339  -2.309  1.00  0.00           H  
HETATM   39  H   UNL     1       5.435   2.220  -4.052  1.00  0.00           H  
HETATM   40  H   UNL     1       2.994   2.093  -3.756  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.938  -2.435   0.505  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.841   1.910   2.412  1.00  0.00           H  
HETATM   43  H   UNL     1       0.835   2.810   1.047  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.440   3.926   1.776  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.116   2.819   4.035  1.00  0.00           H  
HETATM   46  H   UNL     1       1.158   1.703   3.306  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.402  -1.169   1.976  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.868   0.380   2.671  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.201   2.418   1.494  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.415   3.657  -0.246  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.557   2.483  -2.049  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.181   0.343  -3.138  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.725  -2.155   0.366  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.089  -2.090  -3.172  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.876  -3.330  -1.430  1.00  0.00           H  
HETATM   56  H   UNL     1       4.448  -3.815   0.641  1.00  0.00           H  
CONECT    1    2   56                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   13   34                                       
CONECT    5    4    6   12   35                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   38                                       
CONECT    9    8   10   10   39                                       
CONECT   10    9    9   11   40                                       
CONECT   11    6    6   10   37                                       
CONECT   12    5   16                                                 
CONECT   13    4   14   16                                            
CONECT   14   13   15   15   22                                       
CONECT   15   14   14                                                 
CONECT   16   12   13   17   17                                       
CONECT   17   16   16   18   21                                       
CONECT   18   17   19   20   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   18   19   45   46                                       
CONECT   21   17   22   22   23                                       
CONECT   22   14   21   21   41                                       
CONECT   23   21   24   47   48                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   27   50                                       
CONECT   27   26   28   28   51                                       
CONECT   28   27   27   29   30                                       
CONECT   29   24   24   28   33                                       
CONECT   30   28   31   31   52                                       
CONECT   31   30   30   32   54                                       
CONECT   32   31   33   33   55                                       
CONECT   33   29   32   32   53                                       
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   22                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56    1                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
