COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.001  -2.587  -1.161  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.643  -2.798  -1.303  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.232  -0.752  -0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.864   1.626   2.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.033   2.265   1.633  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.789   1.777   0.583  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.378   0.650  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.063   2.477   0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       1.054  -0.091   0.056  1.00  0.00           C  
HETATM   10  C   UNL     1       1.964   0.923  -0.210  1.00  0.00           C  
HETATM   11  C   UNL     1       3.322   0.637  -0.258  1.00  0.00           C  
HETATM   12  C   UNL     1       3.765  -0.662  -0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       2.857  -1.668   0.224  1.00  0.00           C  
HETATM   14  C   UNL     1       5.244   1.752   0.544  1.00  0.00           C  
HETATM   15  C   UNL     1       6.276   2.821   0.176  1.00  0.00           C  
HETATM   16  C   UNL     1       4.591   4.010  -1.091  1.00  0.00           C  
HETATM   17  C   UNL     1       3.559   2.941  -0.723  1.00  0.00           C  
HETATM   18  O   UNL     1       2.323  -4.131   0.123  1.00  0.00           O  
HETATM   19  S   UNL     1       3.423  -3.314   0.499  1.00  0.00           S  
HETATM   20  O   UNL     1       4.658  -3.381  -0.200  1.00  0.00           O  
HETATM   21  C   UNL     1       3.700  -3.404   2.290  1.00  0.00           C  
HETATM   22  N   UNL     1       4.241   1.654  -0.525  1.00  0.00           N  
HETATM   23  N   UNL     1       5.595   4.108  -0.022  1.00  0.00           N  
HETATM   24  C   UNL     1       6.561   5.177  -0.303  1.00  0.00           C  
HETATM   25  C   UNL     1       1.505  -1.387   0.278  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.314   0.192   0.105  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.795  -1.872  -0.880  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.526  -0.508  -0.175  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.432  -1.394  -0.578  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.994  -3.618  -1.631  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.785  -1.136  -0.421  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.204   0.006   0.269  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.772   3.471  -0.800  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.447   0.498   1.325  1.00  0.00           C  
HETATM   35  H   UNL     1      -1.276  -3.709  -1.754  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.274   2.012   2.822  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.357   3.147   2.166  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.969   0.269  -0.920  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.762   1.750  -0.229  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.506   2.951   1.059  1.00  0.00           H  
HETATM   41  H   UNL     1       1.617   1.931  -0.379  1.00  0.00           H  
HETATM   42  H   UNL     1       4.821  -0.885  -0.078  1.00  0.00           H  
HETATM   43  H   UNL     1       5.744   0.790   0.663  1.00  0.00           H  
HETATM   44  H   UNL     1       4.755   2.025   1.479  1.00  0.00           H  
HETATM   45  H   UNL     1       7.005   2.915   0.980  1.00  0.00           H  
HETATM   46  H   UNL     1       6.785   2.533  -0.744  1.00  0.00           H  
HETATM   47  H   UNL     1       5.081   3.737  -2.026  1.00  0.00           H  
HETATM   48  H   UNL     1       4.092   4.972  -1.210  1.00  0.00           H  
HETATM   49  H   UNL     1       3.051   3.228   0.197  1.00  0.00           H  
HETATM   50  H   UNL     1       2.830   2.847  -1.528  1.00  0.00           H  
HETATM   51  H   UNL     1       4.056  -4.400   2.553  1.00  0.00           H  
HETATM   52  H   UNL     1       4.445  -2.663   2.580  1.00  0.00           H  
HETATM   53  H   UNL     1       2.765  -3.203   2.812  1.00  0.00           H  
HETATM   54  H   UNL     1       6.037   6.130  -0.378  1.00  0.00           H  
HETATM   55  H   UNL     1       7.293   5.228   0.504  1.00  0.00           H  
HETATM   56  H   UNL     1       7.071   4.968  -1.243  1.00  0.00           H  
HETATM   57  H   UNL     1       0.797  -2.176   0.485  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.620   1.049   0.441  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.207  -4.314  -0.819  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.916  -3.122  -1.935  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.579  -4.164  -2.478  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.441  -1.748  -0.789  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.547   3.962  -1.105  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.534  -0.001   1.614  1.00  0.00           H  
CONECT    1    2   29   29   30                                       
CONECT    2   27   27    1   35                                       
CONECT    3   26   28   28   27                                       
CONECT    4   34   34    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    5    5    7    8                                       
CONECT    7   32   32    6   38                                       
CONECT    8    6   33   39   40                                       
CONECT    9   25   25   10   26                                       
CONECT   10   11   11    9   41                                       
CONECT   11   12   10   10   22                                       
CONECT   12   13   13   11   42                                       
CONECT   13   19   12   12   25                                       
CONECT   14   22   15   43   44                                       
CONECT   15   23   14   45   46                                       
CONECT   16   17   23   47   48                                       
CONECT   17   16   22   49   50                                       
CONECT   18   19   19                                                 
CONECT   19   20   20   18   18                                       
CONECT   19   21   13                                                 
CONECT   20   19   19                                                 
CONECT   21   19   51   52   53                                       
CONECT   22   17   11   14                                            
CONECT   23   16   24   15                                            
CONECT   24   23   54   55   56                                       
CONECT   25   13    9    9   57                                       
CONECT   26    9    3   58                                            
CONECT   27    3    2    2                                            
CONECT   28    3    3   29                                            
CONECT   29   28   31    1    1                                       
CONECT   30    1   59   60   61                                       
CONECT   31   29   32   62                                            
CONECT   32   34   31    7    7                                       
CONECT   33    8   63                                                 
CONECT   34    4    4   32   64                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
