COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.970   0.247   0.886  1.00  0.00           O  
HETATM    2  S   UNL     1       6.571  -0.652  -0.140  1.00  0.00           S  
HETATM    3  O   UNL     1       7.364  -0.922  -1.288  1.00  0.00           O  
HETATM    4  N   UNL     1       6.303  -2.112   0.596  1.00  0.00           N  
HETATM    5  O   UNL     1       5.228  -0.152  -0.652  1.00  0.00           O  
HETATM    6  C   UNL     1       4.367   0.351   0.371  1.00  0.00           C  
HETATM    7  C   UNL     1       4.489   1.893   0.465  1.00  0.00           C  
HETATM    8  C   UNL     1       3.060   2.459   0.242  1.00  0.00           C  
HETATM    9  C   UNL     1       2.909   0.083   0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       2.159   1.288   0.647  1.00  0.00           C  
HETATM   11  C   UNL     1       2.740   0.116  -1.507  1.00  0.00           C  
HETATM   12  C   UNL     1       2.296  -1.191   0.555  1.00  0.00           C  
HETATM   13  C   UNL     1       0.830  -1.241   0.083  1.00  0.00           C  
HETATM   14  C   UNL     1       0.077   0.001   0.539  1.00  0.00           C  
HETATM   15  C   UNL     1       0.765   1.284   0.054  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.063   2.473   0.540  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.375   2.494  -0.245  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.026   1.136  -0.257  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.357   1.064  -0.644  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.357  -0.018   0.097  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.015  -1.239   0.053  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.336  -1.312  -0.335  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.040  -2.644  -0.380  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.586  -2.979   1.010  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.014  -0.154  -0.685  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.318  -0.213  -1.064  1.00  0.00           O  
HETATM   27  S   UNL     1      -6.302   0.120   0.048  1.00  0.00           S  
HETATM   28  O   UNL     1      -7.582  -0.294  -0.412  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.719  -0.352   1.255  1.00  0.00           O  
HETATM   30  N   UNL     1      -6.361   1.770   0.172  1.00  0.00           N  
HETATM   31  H   UNL     1       5.406  -2.479   0.631  1.00  0.00           H  
HETATM   32  H   UNL     1       7.043  -2.599   0.992  1.00  0.00           H  
HETATM   33  H   UNL     1       4.612  -0.107   1.329  1.00  0.00           H  
HETATM   34  H   UNL     1       4.855   2.180   1.451  1.00  0.00           H  
HETATM   35  H   UNL     1       5.163   2.263  -0.307  1.00  0.00           H  
HETATM   36  H   UNL     1       2.882   3.322   0.883  1.00  0.00           H  
HETATM   37  H   UNL     1       2.907   2.718  -0.806  1.00  0.00           H  
HETATM   38  H   UNL     1       2.125   1.191   1.732  1.00  0.00           H  
HETATM   39  H   UNL     1       3.351  -0.667  -1.957  1.00  0.00           H  
HETATM   40  H   UNL     1       1.693  -0.050  -1.759  1.00  0.00           H  
HETATM   41  H   UNL     1       3.056   1.087  -1.887  1.00  0.00           H  
HETATM   42  H   UNL     1       2.837  -2.055   0.169  1.00  0.00           H  
HETATM   43  H   UNL     1       2.333  -1.185   1.644  1.00  0.00           H  
HETATM   44  H   UNL     1       0.828   1.279  -1.035  1.00  0.00           H  
HETATM   45  H   UNL     1       0.804  -1.297  -1.005  1.00  0.00           H  
HETATM   46  H   UNL     1       0.348  -2.126   0.499  1.00  0.00           H  
HETATM   47  H   UNL     1       0.079   0.012   1.629  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.273   2.365   1.604  1.00  0.00           H  
HETATM   49  H   UNL     1       0.485   3.399   0.364  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.054   3.212   0.215  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.172   2.802  -1.271  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.885   1.967  -0.916  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.487  -2.141   0.325  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.864  -2.596  -1.092  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.337  -3.417  -0.689  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.095  -3.942   0.978  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.763  -3.027   1.722  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.290  -2.206   1.319  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.882   2.322  -0.466  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.876   2.185   0.882  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   31   32                                            
CONECT    5    2    6                                                 
CONECT    6    5    7    9   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7   10   36   37                                       
CONECT    9    6   10   11   12                                       
CONECT   10    8    9   15   38                                       
CONECT   11    9   39   40   41                                       
CONECT   12    9   13   42   43                                       
CONECT   13   12   14   45   46                                       
CONECT   14   13   15   20   47                                       
CONECT   15   10   14   16   44                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   25   52                                       
CONECT   20   14   18   21   21                                       
CONECT   21   20   20   22   53                                       
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   56   57   58                                       
CONECT   25   19   22   22   26                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   28   29                                       
CONECT   27   29   30                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   27   59   60                                            
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
