COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -5.037  -2.135   0.691  1.00  0.00           S  
HETATM    2  C   UNL     1      -6.596  -1.290   0.507  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.221  -0.109  -0.115  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.877   0.096  -0.413  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.977  -0.902  -0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.886  -1.715   0.897  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.049  -2.913   1.498  1.00  0.00           O  
HETATM    8  O   UNL     1      -8.850  -1.001   0.692  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.149   0.828  -0.435  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.257   1.703   0.690  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.278   2.773   0.399  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.854   2.785  -0.663  1.00  0.00           O  
HETATM   13  O   UNL     1      -8.547   3.712   1.320  1.00  0.00           O  
HETATM   14  S   UNL     1      -3.828   1.337  -1.161  1.00  0.00           S  
HETATM   15  C   UNL     1      -2.258   0.532  -0.991  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.561  -0.690  -0.360  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.969   0.877  -1.339  1.00  0.00           C  
HETATM   18  C   UNL     1       0.072   0.001  -1.060  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.206  -1.213  -0.432  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.475  -1.557  -0.088  1.00  0.00           C  
HETATM   21  N   UNL     1       1.383   0.333  -1.404  1.00  0.00           N  
HETATM   22  C   UNL     1       2.476  -0.597  -1.106  1.00  0.00           C  
HETATM   23  C   UNL     1       3.636  -0.346  -2.073  1.00  0.00           C  
HETATM   24  C   UNL     1       4.762  -1.343  -1.781  1.00  0.00           C  
HETATM   25  N   UNL     1       5.127  -1.242  -0.361  1.00  0.00           N  
HETATM   26  C   UNL     1       4.071  -1.377   0.651  1.00  0.00           C  
HETATM   27  C   UNL     1       2.952  -0.380   0.332  1.00  0.00           C  
HETATM   28  S   UNL     1       6.699  -0.981   0.089  1.00  0.00           S  
HETATM   29  C   UNL     1       6.818   0.828   0.148  1.00  0.00           C  
HETATM   30  C   UNL     1       8.214   1.227   0.551  1.00  0.00           C  
HETATM   31  C   UNL     1       9.182   1.426  -0.416  1.00  0.00           C  
HETATM   32  C   UNL     1      10.463   1.792  -0.047  1.00  0.00           C  
HETATM   33  C   UNL     1      10.776   1.959   1.289  1.00  0.00           C  
HETATM   34  C   UNL     1       9.808   1.761   2.256  1.00  0.00           C  
HETATM   35  C   UNL     1       8.526   1.399   1.887  1.00  0.00           C  
HETATM   36  O   UNL     1       6.753  -1.552   1.390  1.00  0.00           O  
HETATM   37  O   UNL     1       7.433  -1.519  -1.002  1.00  0.00           O  
HETATM   38  H   UNL     1      -8.994  -3.008   1.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.290   2.167   0.884  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.568   1.133   1.566  1.00  0.00           H  
HETATM   41  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.770   1.821  -1.825  1.00  0.00           H  
HETATM   43  H   UNL     1       0.604  -1.894  -0.216  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.658  -2.504   0.396  1.00  0.00           H  
HETATM   45  H   UNL     1       1.571   1.178  -1.840  1.00  0.00           H  
HETATM   46  H   UNL     1       2.123  -1.622  -1.221  1.00  0.00           H  
HETATM   47  H   UNL     1       3.290  -0.478  -3.098  1.00  0.00           H  
HETATM   48  H   UNL     1       4.006   0.670  -1.941  1.00  0.00           H  
HETATM   49  H   UNL     1       4.421  -2.355  -1.999  1.00  0.00           H  
HETATM   50  H   UNL     1       5.629  -1.106  -2.399  1.00  0.00           H  
HETATM   51  H   UNL     1       3.673  -2.391   0.631  1.00  0.00           H  
HETATM   52  H   UNL     1       4.481  -1.162   1.638  1.00  0.00           H  
HETATM   53  H   UNL     1       3.329   0.637   0.441  1.00  0.00           H  
HETATM   54  H   UNL     1       2.120  -0.536   1.018  1.00  0.00           H  
HETATM   55  H   UNL     1       6.592   1.239  -0.836  1.00  0.00           H  
HETATM   56  H   UNL     1       6.105   1.215   0.876  1.00  0.00           H  
HETATM   57  H   UNL     1       8.938   1.295  -1.460  1.00  0.00           H  
HETATM   58  H   UNL     1      11.219   1.946  -0.802  1.00  0.00           H  
HETATM   59  H   UNL     1      11.777   2.244   1.578  1.00  0.00           H  
HETATM   60  H   UNL     1      10.052   1.892   3.300  1.00  0.00           H  
HETATM   61  H   UNL     1       7.770   1.245   2.642  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3    5    5   14                                       
CONECT    5    1    4    4   16                                       
CONECT    6    2    7    8    8                                       
CONECT    7    6   38                                                 
CONECT    8    6    6                                                 
CONECT    9    3   10                                                 
CONECT   10    9   11   39   40                                       
CONECT   11   10   12   13   13                                       
CONECT   12   11   41                                                 
CONECT   13   11   11                                                 
CONECT   14    4   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   16    5   15   15   20                                       
CONECT   17   15   18   18   42                                       
CONECT   18   17   17   19   21                                       
CONECT   19   18   20   20   43                                       
CONECT   20   16   19   19   44                                       
CONECT   21   18   22   45                                            
CONECT   22   21   23   27   46                                       
CONECT   23   22   24   47   48                                       
CONECT   24   23   25   49   50                                       
CONECT   25   24   26   28                                            
CONECT   26   25   27   51   52                                       
CONECT   27   22   26   53   54                                       
CONECT   28   25   29   36   36                                       
CONECT   28   37   37                                                 
CONECT   29   28   30   55   56                                       
CONECT   30   29   31   31   35                                       
CONECT   31   30   30   32   57                                       
CONECT   32   31   33   33   58                                       
CONECT   33   32   32   34   59                                       
CONECT   34   33   35   35   60                                       
CONECT   35   30   34   34   61                                       
CONECT   36   28   28                                                 
CONECT   37   28   28                                                 
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
