COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.344   1.533   0.370  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.452   0.416   0.592  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.137   0.734   0.372  1.00  0.00           C  
HETATM    4  S   UNL     1       0.018   2.365  -0.097  1.00  0.00           S  
HETATM    5  C   UNL     1      -1.713   2.638   0.000  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.390   3.951  -0.298  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.141   4.432   0.945  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.337   4.990  -0.692  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.378   3.765  -1.451  1.00  0.00           C  
HETATM   10  N   UNL     1       0.922  -0.150   0.513  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.907  -0.914   1.007  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.433  -1.437   1.999  1.00  0.00           O  
HETATM   13  N   UNL     1      -2.850  -1.558   0.291  1.00  0.00           N  
HETATM   14  C   UNL     1       2.182   0.264   0.272  1.00  0.00           C  
HETATM   15  N   UNL     1       3.211  -0.595   0.409  1.00  0.00           N  
HETATM   16  O   UNL     1       2.390   1.413  -0.068  1.00  0.00           O  
HETATM   17  C   UNL     1       4.524  -0.138   0.279  1.00  0.00           C  
HETATM   18  C   UNL     1       4.826   1.185   0.519  1.00  0.00           C  
HETATM   19  C   UNL     1       6.132   1.651   0.392  1.00  0.00           C  
HETATM   20  C   UNL     1       7.144   0.816   0.028  1.00  0.00           C  
HETATM   21  C   UNL     1       6.878  -0.540  -0.226  1.00  0.00           C  
HETATM   22  C   UNL     1       5.554  -1.028  -0.094  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.385  -2.832   0.776  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.334  -0.975  -0.961  1.00  0.00           C  
HETATM   25  C   UNL     1       7.903  -1.426  -0.602  1.00  0.00           C  
HETATM   26  C   UNL     1       7.609  -2.734  -0.840  1.00  0.00           C  
HETATM   27  C   UNL     1       6.306  -3.210  -0.715  1.00  0.00           C  
HETATM   28  C   UNL     1       5.290  -2.384  -0.342  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.874  -2.673   1.094  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.818  -0.624  -0.822  1.00  0.00           C  
HETATM   31  S   UNL     1      -5.743  -2.125  -0.405  1.00  0.00           S  
HETATM   32  O   UNL     1      -7.069  -1.755  -0.052  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.538  -3.091  -1.427  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.415   1.472   0.489  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.437   4.565   1.766  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.630   5.381   0.729  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.891   3.692   1.225  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.802   4.648  -1.577  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.827   5.940  -0.907  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.633   5.123   0.130  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.128   3.025  -1.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.868   4.715  -1.667  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.843   3.423  -2.337  1.00  0.00           H  
HETATM   44  H   UNL     1       0.756  -1.066   0.785  1.00  0.00           H  
HETATM   45  H   UNL     1       3.040  -1.531   0.598  1.00  0.00           H  
HETATM   46  H   UNL     1       4.042   1.868   0.809  1.00  0.00           H  
HETATM   47  H   UNL     1       6.346   2.692   0.584  1.00  0.00           H  
HETATM   48  H   UNL     1       8.151   1.196  -0.066  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.257  -3.595   0.008  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.850  -3.131   1.678  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.766  -0.072  -1.184  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.204  -1.694  -1.770  1.00  0.00           H  
HETATM   53  H   UNL     1       8.917  -1.070  -0.703  1.00  0.00           H  
HETATM   54  H   UNL     1       8.399  -3.411  -1.129  1.00  0.00           H  
HETATM   55  H   UNL     1       6.100  -4.253  -0.909  1.00  0.00           H  
HETATM   56  H   UNL     1       4.285  -2.767  -0.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.281  -3.629   1.423  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.002  -1.930   1.882  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.946   0.116  -0.032  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.188  -0.221  -1.765  1.00  0.00           H  
CONECT    1    2    5    5   34                                       
CONECT    2    1    3    3   11                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5                                                 
CONECT    5    1    1    4    6                                       
CONECT    6    5    7    8    9                                       
CONECT    7    6   35   36   37                                       
CONECT    8    6   38   39   40                                       
CONECT    9    6   41   42   43                                       
CONECT   10    3   14   44                                            
CONECT   11    2   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   23   24                                            
CONECT   14   10   15   16   16                                       
CONECT   15   14   17   45                                            
CONECT   16   14   14                                                 
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   46                                       
CONECT   19   18   20   20   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   22   25                                       
CONECT   22   17   21   21   28                                       
CONECT   23   13   29   49   50                                       
CONECT   24   13   30   51   52                                       
CONECT   25   21   26   26   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   22   27   27   56                                       
CONECT   29   23   31   57   58                                       
CONECT   30   24   31   59   60                                       
CONECT   31   29   30   32   32                                       
CONECT   31   33   33                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   15                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
