COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.099  -3.132  -0.718  1.00  0.00           N  
HETATM    2  N   UNL     1       3.974  -1.931  -0.798  1.00  0.00           N  
HETATM    3  C   UNL     1       0.470  -1.971  -0.186  1.00  0.00           C  
HETATM    4  C   UNL     1       0.981  -3.932  -1.289  1.00  0.00           C  
HETATM    5  C   UNL     1       2.732  -2.499  -0.866  1.00  0.00           C  
HETATM    6  C   UNL     1       3.900  -0.712  -0.156  1.00  0.00           C  
HETATM    7  C   UNL     1       5.041   0.187   0.102  1.00  0.00           C  
HETATM    8  C   UNL     1       6.497   1.275   1.663  1.00  0.00           C  
HETATM    9  C   UNL     1       5.717   0.779  -0.952  1.00  0.00           C  
HETATM   10  C   UNL     1       1.828  -1.613  -0.246  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.336   0.761   1.373  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.709   0.924  -0.038  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.911  -0.207  -0.133  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.095   2.396  -0.313  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.129   3.228   0.965  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.768   1.221  -2.313  1.00  0.00           O  
HETATM   17  S   UNL     1      -6.199   0.964  -0.984  1.00  0.00           S  
HETATM   18  O   UNL     1      -6.864  -0.246  -0.647  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.077   3.539  -0.179  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.333   1.972   0.771  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.130   1.883   1.469  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.727  -0.294   0.570  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.868  -1.527   0.464  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.105  -2.421   1.683  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.578  -2.829   1.738  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.232  -3.673   1.575  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.457  -1.137   0.412  1.00  0.00           N  
HETATM   28  N   UNL     1       2.261  -3.639  -1.369  1.00  0.00           N  
HETATM   29  C   UNL     1       2.612  -0.469   0.202  1.00  0.00           C  
HETATM   30  C   UNL     1       6.799   1.630  -0.674  1.00  0.00           C  
HETATM   31  N   UNL     1       7.626   2.328  -1.438  1.00  0.00           N  
HETATM   32  N   UNL     1       8.464   2.962  -0.696  1.00  0.00           N  
HETATM   33  C   UNL     1       8.231   2.714   0.567  1.00  0.00           C  
HETATM   34  N   UNL     1       7.170   1.862   0.629  1.00  0.00           N  
HETATM   35  C   UNL     1       5.453   0.459   1.431  1.00  0.00           C  
HETATM   36  H   UNL     1       4.787  -2.327  -1.149  1.00  0.00           H  
HETATM   37  H   UNL     1       0.637  -4.865  -1.709  1.00  0.00           H  
HETATM   38  H   UNL     1       6.806   1.471   2.679  1.00  0.00           H  
HETATM   39  H   UNL     1       5.417   0.589  -1.972  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.406   0.708   1.921  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.218  -1.027  -0.766  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.894   2.688  -0.994  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.510   2.150   0.664  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.438   4.063   1.080  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.710   3.133   1.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.511   3.634  -1.106  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.602   4.472   0.026  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.815   2.705   2.094  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.127  -2.074  -0.443  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.845  -1.875   2.590  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.838  -3.375   0.831  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.747  -3.465   2.606  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.200  -1.937   1.815  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.183  -3.382   1.536  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.401  -4.310   2.443  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.492  -4.220   0.668  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.173  -0.292   0.796  1.00  0.00           H  
HETATM   58  H   UNL     1       2.240   0.403   0.720  1.00  0.00           H  
HETATM   59  H   UNL     1       8.780   3.111   1.408  1.00  0.00           H  
HETATM   60  H   UNL     1       4.930   0.006   2.260  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   36                                            
CONECT    3   27    1    1   10                                       
CONECT    4    1   28   28   37                                       
CONECT    5   28    2   10   10                                       
CONECT    6    2    7   29   29                                       
CONECT    7    6   35    9    9                                       
CONECT    8   35   35   34   38                                       
CONECT    9   30    7    7   39                                       
CONECT   10   29    3    5    5                                       
CONECT   11   22   22   21   40                                       
CONECT   12   20   13   13   17                                       
CONECT   13   12   12   22   41                                       
CONECT   14   17   19   42   43                                       
CONECT   15   19   20   44   45                                       
CONECT   16   17   17                                                 
CONECT   17   12   18   18   16                                       
CONECT   17   16   14                                                 
CONECT   18   17   17                                                 
CONECT   19   14   15   46   47                                       
CONECT   20   21   21   12   15                                       
CONECT   21   11   20   20   48                                       
CONECT   22   23   11   11   13                                       
CONECT   23   24   27   22   49                                       
CONECT   24   26   25   23   50                                       
CONECT   25   24   51   52   53                                       
CONECT   26   24   54   55   56                                       
CONECT   27   23    3   57                                            
CONECT   28    4    4    5                                            
CONECT   29    6    6   10   58                                       
CONECT   30   31   31   34    9                                       
CONECT   31   32   30   30                                            
CONECT   32   33   33   31                                            
CONECT   33   34   32   32   59                                       
CONECT   34    8   33   30                                            
CONECT   35    7    8    8   60                                       
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   29                                                      
CONECT   59   33                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
