COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.534  -1.437  -0.708  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.707  -1.304   0.265  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.101   0.109   0.363  1.00  0.00           N  
HETATM    4  C   UNL     1      -9.275   0.270   1.231  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.980   0.934   0.835  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.806   0.800  -0.139  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.413  -0.613  -0.236  1.00  0.00           N  
HETATM    8  C   UNL     1      -4.239  -0.773  -1.105  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.027  -0.105  -0.452  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.856  -0.266  -1.319  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.629   0.262  -0.933  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.520   0.942   0.276  1.00  0.00           C  
HETATM   13  C   UNL     1       0.707   1.462   0.646  1.00  0.00           C  
HETATM   14  N   UNL     1       0.426   0.109  -1.718  1.00  0.00           N  
HETATM   15  C   UNL     1       1.609   0.595  -1.390  1.00  0.00           C  
HETATM   16  C   UNL     1       1.787   1.285  -0.208  1.00  0.00           C  
HETATM   17  S   UNL     1       3.372   1.928   0.216  1.00  0.00           S  
HETATM   18  O   UNL     1       4.126   1.964  -0.988  1.00  0.00           O  
HETATM   19  O   UNL     1       3.137   3.075   1.021  1.00  0.00           O  
HETATM   20  N   UNL     1       4.108   0.813   1.195  1.00  0.00           N  
HETATM   21  C   UNL     1       4.477  -0.444   0.677  1.00  0.00           C  
HETATM   22  C   UNL     1       3.896  -1.633   0.976  1.00  0.00           C  
HETATM   23  C   UNL     1       2.742  -1.848   1.921  1.00  0.00           C  
HETATM   24  N   UNL     1       4.544  -2.596   0.268  1.00  0.00           N  
HETATM   25  C   UNL     1       4.245  -4.030   0.288  1.00  0.00           C  
HETATM   26  N   UNL     1       5.549  -1.973  -0.483  1.00  0.00           N  
HETATM   27  C   UNL     1       5.506  -0.687  -0.243  1.00  0.00           C  
HETATM   28  C   UNL     1       6.410   0.354  -0.851  1.00  0.00           C  
HETATM   29  H   UNL     1      -6.222  -2.480  -0.760  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.842  -1.100  -1.698  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.550  -1.891  -0.098  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.407  -1.666   1.248  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.041  -0.098   2.230  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.545   1.324   1.286  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.110  -0.298   0.822  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.292   1.977   0.887  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.672   0.596   1.824  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.106   1.163  -1.122  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.964   1.388   0.225  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.036  -1.834  -1.248  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.435  -0.307  -2.070  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.230   0.956  -0.309  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.831  -0.572   0.513  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.937  -0.740  -2.161  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.382   1.062   0.916  1.00  0.00           H  
HETATM   46  H   UNL     1       0.822   1.994   1.579  1.00  0.00           H  
HETATM   47  H   UNL     1       2.447   0.451  -2.055  1.00  0.00           H  
HETATM   48  H   UNL     1       4.284   1.025   2.125  1.00  0.00           H  
HETATM   49  H   UNL     1       1.803  -1.773   1.372  1.00  0.00           H  
HETATM   50  H   UNL     1       2.820  -2.837   2.372  1.00  0.00           H  
HETATM   51  H   UNL     1       2.766  -1.089   2.703  1.00  0.00           H  
HETATM   52  H   UNL     1       3.511  -4.258  -0.485  1.00  0.00           H  
HETATM   53  H   UNL     1       5.159  -4.594   0.099  1.00  0.00           H  
HETATM   54  H   UNL     1       3.844  -4.304   1.263  1.00  0.00           H  
HETATM   55  H   UNL     1       7.342   0.400  -0.287  1.00  0.00           H  
HETATM   56  H   UNL     1       6.624   0.090  -1.887  1.00  0.00           H  
HETATM   57  H   UNL     1       5.918   1.326  -0.818  1.00  0.00           H  
CONECT    1    2    7   29   30                                       
CONECT    2    1    3   31   32                                       
CONECT    3    2    4    5                                            
CONECT    4    3   33   34   35                                       
CONECT    5    3    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    1    6    8                                            
CONECT    8    7    9   40   41                                       
CONECT    9    8   10   42   43                                       
CONECT   10    9   11   44                                            
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   13   45                                       
CONECT   13   12   12   16   46                                       
CONECT   14   11   11   15                                            
CONECT   15   14   16   16   47                                       
CONECT   16   13   15   15   17                                       
CONECT   17   16   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   48                                            
CONECT   21   20   22   22   27                                       
CONECT   22   21   21   23   24                                       
CONECT   23   22   49   50   51                                       
CONECT   24   22   25   26                                            
CONECT   25   24   52   53   54                                       
CONECT   26   24   27   27                                            
CONECT   27   21   26   26   28                                       
CONECT   28   27   55   56   57                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   15                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
