COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.074   1.762  -0.469  1.00  0.00           N  
HETATM    2  C   UNL     1       2.158   2.171   0.605  1.00  0.00           C  
HETATM    3  C   UNL     1       1.050   1.159   0.736  1.00  0.00           C  
HETATM    4  O   UNL     1       1.294   0.041   1.139  1.00  0.00           O  
HETATM    5  C   UNL     1       2.941   2.249   1.919  1.00  0.00           C  
HETATM    6  C   UNL     1       4.147   3.173   1.736  1.00  0.00           C  
HETATM    7  C   UNL     1       5.070   2.602   0.657  1.00  0.00           C  
HETATM    8  C   UNL     1       4.311   2.529  -0.672  1.00  0.00           C  
HETATM    9  C   UNL     1       3.625  -0.915  -0.788  1.00  0.00           C  
HETATM   10  C   UNL     1       3.056  -1.728   0.175  1.00  0.00           C  
HETATM   11  C   UNL     1       3.761  -2.809   0.671  1.00  0.00           C  
HETATM   12  C   UNL     1       5.035  -3.076   0.205  1.00  0.00           C  
HETATM   13  C   UNL     1       5.803  -4.254   0.747  1.00  0.00           C  
HETATM   14  C   UNL     1       5.603  -2.264  -0.758  1.00  0.00           C  
HETATM   15  C   UNL     1       4.898  -1.183  -1.254  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.235   0.561   0.526  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.320  -0.238   0.417  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.771  -0.124   0.129  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.297   1.076  -0.347  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.646   1.178  -0.614  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.481   0.088  -0.408  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.611  -0.968  -0.436  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.960  -1.108   0.067  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.611  -1.219   0.330  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.766  -1.373   0.878  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.213   1.495   0.405  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.482   0.773   0.239  1.00  0.00           N  
HETATM   28  O   UNL     1       1.348   0.166  -1.219  1.00  0.00           O  
HETATM   29  O   UNL     1       3.274   0.739  -2.705  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.810   0.192  -0.671  1.00  0.00           O  
HETATM   31  S   UNL     1       2.723   0.458  -1.426  1.00  0.00           S  
HETATM   32  S   UNL     1      -1.038  -1.097   1.087  1.00  0.00           S  
HETATM   33  H   UNL     1       2.296   2.643   2.704  1.00  0.00           H  
HETATM   34  H   UNL     1       3.285   1.252   2.197  1.00  0.00           H  
HETATM   35  H   UNL     1       3.804   4.162   1.434  1.00  0.00           H  
HETATM   36  H   UNL     1       4.692   3.249   2.677  1.00  0.00           H  
HETATM   37  H   UNL     1       5.940   3.249   0.543  1.00  0.00           H  
HETATM   38  H   UNL     1       5.394   1.603   0.946  1.00  0.00           H  
HETATM   39  H   UNL     1       4.930   2.033  -1.420  1.00  0.00           H  
HETATM   40  H   UNL     1       2.061  -1.519   0.539  1.00  0.00           H  
HETATM   41  H   UNL     1       3.317  -3.444   1.424  1.00  0.00           H  
HETATM   42  H   UNL     1       5.593  -5.135   0.140  1.00  0.00           H  
HETATM   43  H   UNL     1       6.871  -4.037   0.715  1.00  0.00           H  
HETATM   44  H   UNL     1       5.501  -4.442   1.777  1.00  0.00           H  
HETATM   45  H   UNL     1       6.598  -2.473  -1.122  1.00  0.00           H  
HETATM   46  H   UNL     1       5.343  -0.547  -2.006  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.648   1.924  -0.508  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.054   2.108  -0.983  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.252  -1.788  -1.058  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.542  -1.251   0.614  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.649  -0.749  -0.686  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.612  -1.954   0.227  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.206  -2.151   0.695  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.289  -2.295   1.084  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.408   2.389   0.083  1.00  0.00           H  
HETATM   56  H   UNL     1       1.735   3.148   0.371  1.00  0.00           H  
HETATM   57  H   UNL     1       4.065   3.536  -1.008  1.00  0.00           H  
CONECT    1    2    8   31                                            
CONECT    2    1    3    5   56                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   33   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   37   38                                       
CONECT    8    1    7   39   57                                       
CONECT    9   10   10   15   31                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12   42   43   44                                       
CONECT   14   12   15   15   45                                       
CONECT   15    9   14   14   46                                       
CONECT   16   26   27   27   32                                       
CONECT   17   18   25   25   27                                       
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   47                                       
CONECT   20   19   21   21   48                                       
CONECT   21   20   20   23   30                                       
CONECT   22   30   49   50   51                                       
CONECT   23   21   24   24   52                                       
CONECT   24   18   23   23   53                                       
CONECT   25   17   17   32   54                                       
CONECT   26    3   16   55                                            
CONECT   27   16   16   17                                            
CONECT   28   31   31                                                 
CONECT   29   31   31                                                 
CONECT   30   21   22                                                 
CONECT   31    1    9   28   28                                       
CONECT   31   29   29                                                 
CONECT   32   16   25                                                 
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56    2                                                      
CONECT   57    8                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
