COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.002   2.773   2.842  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.762   1.988   1.734  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.865   1.637   0.831  1.00  0.00           C  
HETATM    4  S   UNL     1      -5.770   0.486  -0.495  1.00  0.00           S  
HETATM    5  C   UNL     1      -7.406   0.748  -0.901  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.965   1.644  -0.081  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.130   2.147   0.891  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.545   1.555   1.485  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.275   0.911   0.310  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.323   1.608  -0.900  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.049   0.952  -2.082  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.729  -0.395  -2.071  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.946  -0.447   0.313  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.680  -1.092  -0.877  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.331  -2.558  -0.876  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.916  -2.710  -0.747  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.476  -4.070  -0.736  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.453  -4.586   0.704  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.822  -4.615   1.236  1.00  0.00           N  
HETATM   20  C   UNL     1       0.930  -4.156  -1.331  1.00  0.00           C  
HETATM   21  O   UNL     1       1.848  -3.455  -0.489  1.00  0.00           O  
HETATM   22  C   UNL     1       3.198  -3.475  -0.958  1.00  0.00           C  
HETATM   23  C   UNL     1       4.073  -2.710   0.001  1.00  0.00           C  
HETATM   24  C   UNL     1       4.675  -3.365   1.060  1.00  0.00           C  
HETATM   25  C   UNL     1       5.479  -2.667   1.942  1.00  0.00           C  
HETATM   26  C   UNL     1       5.684  -1.312   1.768  1.00  0.00           C  
HETATM   27  C   UNL     1       4.279  -1.357  -0.182  1.00  0.00           C  
HETATM   28  C   UNL     1       5.082  -0.651   0.705  1.00  0.00           C  
HETATM   29  N   UNL     1       5.287   0.720   0.526  1.00  0.00           N  
HETATM   30  C   UNL     1       4.264   1.515   0.049  1.00  0.00           C  
HETATM   31  N   UNL     1       3.065   1.016  -0.103  1.00  0.00           N  
HETATM   32  C   UNL     1       4.522   2.923  -0.289  1.00  0.00           C  
HETATM   33  S   UNL     1       6.073   3.738  -0.143  1.00  0.00           S  
HETATM   34  C   UNL     1       5.412   5.200  -0.722  1.00  0.00           C  
HETATM   35  C   UNL     1       4.113   5.060  -1.001  1.00  0.00           C  
HETATM   36  C   UNL     1       3.599   3.802  -0.772  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.899   3.092   3.026  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.274   3.002   3.441  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.444   2.873   1.626  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.922   0.256  -1.712  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.998   1.948  -0.172  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.573   2.659  -0.910  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.903  -0.991   1.245  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.086   1.489  -3.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.517  -0.904  -3.000  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.827  -3.049  -0.038  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.662  -3.011  -1.810  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.160  -4.678  -1.329  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.034  -5.592   0.723  1.00  0.00           H  
HETATM   50  H   UNL     1       0.160  -3.926   1.317  1.00  0.00           H  
HETATM   51  H   UNL     1       1.230  -5.202  -1.404  1.00  0.00           H  
HETATM   52  H   UNL     1       0.933  -3.707  -2.325  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.427  -5.170   0.648  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.834  -4.953   2.187  1.00  0.00           H  
HETATM   55  H   UNL     1       3.545  -4.506  -1.023  1.00  0.00           H  
HETATM   56  H   UNL     1       3.247  -3.012  -1.943  1.00  0.00           H  
HETATM   57  H   UNL     1       4.516  -4.424   1.198  1.00  0.00           H  
HETATM   58  H   UNL     1       3.812  -0.846  -1.011  1.00  0.00           H  
HETATM   59  H   UNL     1       5.947  -3.182   2.768  1.00  0.00           H  
HETATM   60  H   UNL     1       6.312  -0.768   2.457  1.00  0.00           H  
HETATM   61  H   UNL     1       6.148   1.113   0.738  1.00  0.00           H  
HETATM   62  H   UNL     1       2.346   1.574  -0.438  1.00  0.00           H  
HETATM   63  H   UNL     1       2.568   3.540  -0.955  1.00  0.00           H  
HETATM   64  H   UNL     1       5.969   6.117  -0.847  1.00  0.00           H  
HETATM   65  H   UNL     1       3.510   5.872  -1.380  1.00  0.00           H  
CONECT    1    2   37   38                                            
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5                                                 
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7   41                                       
CONECT    7    3    3    6   39                                       
CONECT    8    2    2    9                                            
CONECT    9    8   10   13   13                                       
CONECT   10    9   11   11   42                                       
CONECT   11   10   10   12   44                                       
CONECT   12   11   14   14   45                                       
CONECT   13    9    9   14   43                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   20   48                                       
CONECT   18   17   19   49   50                                       
CONECT   19   18   53   54                                            
CONECT   20   17   21   51   52                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   55   56                                       
CONECT   23   22   24   27   27                                       
CONECT   24   23   25   25   57                                       
CONECT   25   24   24   26   59                                       
CONECT   26   25   28   28   60                                       
CONECT   27   23   23   28   58                                       
CONECT   28   26   26   27   29                                       
CONECT   29   28   30   61                                            
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   62                                            
CONECT   32   30   33   36   36                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   64                                       
CONECT   35   34   34   36   65                                       
CONECT   36   32   32   35   63                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    7                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   27                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   36                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
