COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.168  -0.011   0.642  1.00  0.00           C  
HETATM    2  O   UNL     1       4.947  -0.370  -1.253  1.00  0.00           O  
HETATM    3  O   UNL     1       6.748   0.107   0.414  1.00  0.00           O  
HETATM    4  C   UNL     1       2.589  -1.203   0.216  1.00  0.00           C  
HETATM    5  C   UNL     1       1.262  -1.215  -0.172  1.00  0.00           C  
HETATM    6  C   UNL     1       0.505  -0.052  -0.141  1.00  0.00           C  
HETATM    7  S   UNL     1       5.443   0.314  -0.110  1.00  0.00           S  
HETATM    8  N   UNL     1       5.325   1.931  -0.445  1.00  0.00           N  
HETATM    9  O   UNL     1       4.473   0.017   1.024  1.00  0.00           O  
HETATM   10  C   UNL     1       1.075   1.128   0.288  1.00  0.00           C  
HETATM   11  C   UNL     1       2.411   1.146   0.670  1.00  0.00           C  
HETATM   12  O   UNL     1       3.323  -2.347   0.183  1.00  0.00           O  
HETATM   13  C   UNL     1       2.660  -3.530  -0.266  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.924  -0.123  -0.596  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.718   1.057  -0.021  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.997   2.346  -0.416  1.00  0.00           C  
HETATM   17  C   UNL     1       0.310   2.423   0.373  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.567  -1.454  -0.234  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.034  -1.495  -0.701  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.751  -0.322  -0.066  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.111   0.985  -0.611  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.583  -0.380   1.454  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.229  -0.155  -0.399  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.483   1.373  -0.379  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.105   2.042  -0.119  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.092  -0.849   0.657  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.507  -0.781   0.257  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.599  -0.729  -0.052  1.00  0.00           N  
HETATM   29  H   UNL     1       0.810  -2.139  -0.504  1.00  0.00           H  
HETATM   30  H   UNL     1       4.711   2.487   0.059  1.00  0.00           H  
HETATM   31  H   UNL     1       5.870   2.322  -1.146  1.00  0.00           H  
HETATM   32  H   UNL     1       2.861   2.071   1.000  1.00  0.00           H  
HETATM   33  H   UNL     1       1.816  -3.744   0.389  1.00  0.00           H  
HETATM   34  H   UNL     1       2.302  -3.382  -1.285  1.00  0.00           H  
HETATM   35  H   UNL     1       3.358  -4.368  -0.245  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.937  -0.039  -1.683  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.760   0.978   1.066  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.781   2.334  -1.484  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.623   3.206  -0.176  1.00  0.00           H  
HETATM   40  H   UNL     1       0.084   2.636   1.418  1.00  0.00           H  
HETATM   41  H   UNL     1       0.923   3.228  -0.030  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.015  -2.262  -0.715  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.530  -1.589   0.847  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.079  -1.411  -1.787  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.498  -2.428  -0.382  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.062   0.964  -1.700  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.522  -0.408   1.701  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.037   0.503   1.903  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.070  -1.275   1.839  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.442  -0.561  -1.388  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.881   1.698  -1.340  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.179   1.627   0.420  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.966   2.237   0.944  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.008   2.962  -0.697  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.789  -1.893   0.745  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.962  -0.351   1.618  1.00  0.00           H  
CONECT    1    4    4    9   11                                       
CONECT    2    7    7                                                 
CONECT    3    7    7                                                 
CONECT    4    1    1    5   12                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5   10   14                                       
CONECT    7    2    2    3    3                                       
CONECT    7    8    9                                                 
CONECT    8    7   30   31                                            
CONECT    9    1    7                                                 
CONECT   10    6   11   11   17                                       
CONECT   11    1   10   10   32                                       
CONECT   12    4   13                                                 
CONECT   13   12   33   34   35                                       
CONECT   14    6   15   18   36                                       
CONECT   15   14   16   21   37                                       
CONECT   16   15   17   38   39                                       
CONECT   17   10   16   40   41                                       
CONECT   18   14   19   42   43                                       
CONECT   19   18   20   44   45                                       
CONECT   20   19   21   22   23                                       
CONECT   21   15   20   25   46                                       
CONECT   22   20   47   48   49                                       
CONECT   23   20   24   26   50                                       
CONECT   24   23   25   51   52                                       
CONECT   25   21   24   53   54                                       
CONECT   26   23   27   55   56                                       
CONECT   27   26   28   28   28                                       
CONECT   28   27   27   27                                            
CONECT   29    5                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
