COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.114  -1.119  -0.799  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.116  -1.104   0.159  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.475  -0.580  -0.231  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.519  -1.021   0.796  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.023  -0.685   2.140  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.911  -1.567   2.507  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.854  -1.556   1.434  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.586  -2.020   1.752  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.588  -2.032   0.798  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.853  -1.582  -0.481  1.00  0.00           C  
HETATM   11  S   UNL     1       0.416  -1.598  -1.704  1.00  0.00           S  
HETATM   12  O   UNL     1       1.355  -2.582  -1.294  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.241  -1.627  -2.963  1.00  0.00           O  
HETATM   14  N   UNL     1       1.198  -0.141  -1.618  1.00  0.00           N  
HETATM   15  C   UNL     1       1.953   0.216  -0.414  1.00  0.00           C  
HETATM   16  C   UNL     1       3.404  -0.144  -0.605  1.00  0.00           C  
HETATM   17  O   UNL     1       3.771  -0.649  -1.645  1.00  0.00           O  
HETATM   18  N   UNL     1       4.293   0.095   0.379  1.00  0.00           N  
HETATM   19  C   UNL     1       5.731  -0.205   0.326  1.00  0.00           C  
HETATM   20  C   UNL     1       6.337   0.214   1.682  1.00  0.00           C  
HETATM   21  C   UNL     1       5.109   0.204   2.630  1.00  0.00           C  
HETATM   22  C   UNL     1       3.985   0.706   1.685  1.00  0.00           C  
HETATM   23  C   UNL     1       1.830   1.720  -0.162  1.00  0.00           C  
HETATM   24  C   UNL     1       0.396   2.061   0.151  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.472   2.389  -0.870  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.049   2.039   1.461  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.365   2.350   1.757  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.242   2.685   0.746  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.801   2.704  -0.579  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.707   3.046  -1.633  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.426   3.317  -2.470  1.00  0.00           N  
HETATM   32  H   UNL     1      -2.322  -0.771  -1.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.445   0.509  -0.271  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.745  -0.969  -1.212  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.458  -0.500   0.610  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.673  -2.097   0.721  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.748   0.284   2.192  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.475  -1.227   3.446  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.284  -2.584   2.631  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.378  -2.372   2.752  1.00  0.00           H  
HETATM   41  H   UNL     1       0.398  -2.394   1.052  1.00  0.00           H  
HETATM   42  H   UNL     1       1.157   0.477  -2.365  1.00  0.00           H  
HETATM   43  H   UNL     1       1.553  -0.330   0.441  1.00  0.00           H  
HETATM   44  H   UNL     1       5.881  -1.273   0.168  1.00  0.00           H  
HETATM   45  H   UNL     1       6.198   0.361  -0.480  1.00  0.00           H  
HETATM   46  H   UNL     1       7.084  -0.508   2.011  1.00  0.00           H  
HETATM   47  H   UNL     1       6.767   1.214   1.619  1.00  0.00           H  
HETATM   48  H   UNL     1       4.900  -0.804   2.989  1.00  0.00           H  
HETATM   49  H   UNL     1       5.253   0.891   3.464  1.00  0.00           H  
HETATM   50  H   UNL     1       4.008   1.793   1.610  1.00  0.00           H  
HETATM   51  H   UNL     1       3.012   0.370   2.042  1.00  0.00           H  
HETATM   52  H   UNL     1       2.462   2.000   0.681  1.00  0.00           H  
HETATM   53  H   UNL     1       2.147   2.265  -1.051  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.125   2.402  -1.893  1.00  0.00           H  
HETATM   55  H   UNL     1       0.633   1.777   2.256  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.706   2.331   2.781  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.268   2.928   0.979  1.00  0.00           H  
CONECT    1    2    2   10   32                                       
CONECT    2    3    1    1    7                                       
CONECT    3    4    2   33   34                                       
CONECT    4    3    5   35   36                                       
CONECT    5    4    6   37                                            
CONECT    6    5    7   38   39                                       
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   40                                       
CONECT    9   10   10    8   41                                       
CONECT   10    1   11    9    9                                       
CONECT   11   13   13   14   10                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   42                                            
CONECT   15   14   23   16   43                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   22                                            
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21   22   20   48   49                                       
CONECT   22   18   21   50   51                                       
CONECT   23   24   15   52   53                                       
CONECT   24   25   23   26   26                                       
CONECT   25   29   29   24   54                                       
CONECT   26   24   24   27   55                                       
CONECT   27   28   28   26   56                                       
CONECT   28   29   27   27   57                                       
CONECT   29   30   25   25   28                                       
CONECT   30   31   31   31   29                                       
CONECT   31   30   30   30                                            
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
