COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.399  -3.053  -0.692  1.00  0.00           N  
HETATM    2  N   UNL     1       4.228  -1.715  -0.790  1.00  0.00           N  
HETATM    3  C   UNL     1       0.729  -1.875  -0.172  1.00  0.00           C  
HETATM    4  C   UNL     1       1.308  -3.826  -1.259  1.00  0.00           C  
HETATM    5  C   UNL     1       3.006  -2.328  -0.852  1.00  0.00           C  
HETATM    6  C   UNL     1       4.111  -0.495  -0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       5.222   0.449   0.089  1.00  0.00           C  
HETATM    8  C   UNL     1       6.651   1.612   1.615  1.00  0.00           C  
HETATM    9  C   UNL     1       5.870   1.050  -0.967  1.00  0.00           C  
HETATM   10  C   UNL     1       2.073  -1.470  -0.238  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.169   0.770   1.369  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.549   0.835  -0.039  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.712  -0.268  -0.124  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.987   2.219  -0.321  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.049   3.132   0.945  1.00  0.00           C  
HETATM   16  O   UNL     1      -6.663  -0.416  -0.631  1.00  0.00           O  
HETATM   17  S   UNL     1      -6.042   0.813  -0.981  1.00  0.00           S  
HETATM   18  O   UNL     1      -5.623   1.074  -2.314  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.010   3.399  -0.200  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.210   1.903   0.760  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.003   1.863   1.456  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.524  -0.306   0.577  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.622  -1.509   0.479  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.825  -2.399   1.707  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.283  -2.858   1.769  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.909  -3.620   1.608  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.226  -1.068   0.420  1.00  0.00           N  
HETATM   28  N   UNL     1       2.576  -3.489  -1.344  1.00  0.00           N  
HETATM   29  C   UNL     1       2.817  -0.294   0.199  1.00  0.00           C  
HETATM   30  N   UNL     1       6.890   1.916  -0.743  1.00  0.00           N  
HETATM   31  C   UNL     1       7.566   2.545  -1.879  1.00  0.00           C  
HETATM   32  C   UNL     1       7.287   2.205   0.510  1.00  0.00           C  
HETATM   33  O   UNL     1       8.210   2.984   0.688  1.00  0.00           O  
HETATM   34  C   UNL     1       5.622   0.745   1.412  1.00  0.00           C  
HETATM   35  H   UNL     1       5.055  -2.084  -1.138  1.00  0.00           H  
HETATM   36  H   UNL     1       0.996  -4.776  -1.669  1.00  0.00           H  
HETATM   37  H   UNL     1       6.974   1.847   2.618  1.00  0.00           H  
HETATM   38  H   UNL     1       5.565   0.831  -1.979  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.238   0.755   1.915  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.991  -1.103  -0.749  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.798   2.476  -1.003  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.392   1.968   0.659  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.388   3.992   1.051  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.625   3.025   1.864  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.450   3.505  -1.129  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.568   4.315  -0.002  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.717   2.702   2.073  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.864  -2.072  -0.422  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.583  -1.835   2.608  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.524  -3.422   0.868  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.427  -3.493   2.644  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.935  -1.988   1.839  1.00  0.00           H  
HETATM   53  H   UNL     1       0.130  -3.293   1.564  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.053  -4.254   2.483  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.150  -4.184   0.707  1.00  0.00           H  
HETATM   56  H   UNL     1       0.029  -0.211   0.796  1.00  0.00           H  
HETATM   57  H   UNL     1       2.417   0.569   0.709  1.00  0.00           H  
HETATM   58  H   UNL     1       7.065   3.480  -2.128  1.00  0.00           H  
HETATM   59  H   UNL     1       8.605   2.748  -1.617  1.00  0.00           H  
HETATM   60  H   UNL     1       7.533   1.875  -2.738  1.00  0.00           H  
HETATM   61  H   UNL     1       5.121   0.285   2.251  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   35                                            
CONECT    3   27    1    1   10                                       
CONECT    4    1   28   28   36                                       
CONECT    5   28    2   10   10                                       
CONECT    6    2    7   29   29                                       
CONECT    7    6   34    9    9                                       
CONECT    8   34   34   32   37                                       
CONECT    9   30    7    7   38                                       
CONECT   10   29    3    5    5                                       
CONECT   11   22   22   21   39                                       
CONECT   12   20   13   13   17                                       
CONECT   13   12   12   22   40                                       
CONECT   14   17   19   41   42                                       
CONECT   15   19   20   43   44                                       
CONECT   16   17   17                                                 
CONECT   17   12   18   18   16                                       
CONECT   17   16   14                                                 
CONECT   18   17   17                                                 
CONECT   19   14   15   45   46                                       
CONECT   20   21   21   12   15                                       
CONECT   21   11   20   20   47                                       
CONECT   22   23   11   11   13                                       
CONECT   23   24   27   22   48                                       
CONECT   24   26   25   23   49                                       
CONECT   25   24   50   51   52                                       
CONECT   26   24   53   54   55                                       
CONECT   27   23    3   56                                            
CONECT   28    4    4    5                                            
CONECT   29    6    6   10   57                                       
CONECT   30   32   31    9                                            
CONECT   31   30   58   59   60                                       
CONECT   32    8   33   33   30                                       
CONECT   33   32   32                                                 
CONECT   34    7    8    8   61                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
