COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.912   0.261   0.249  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.245  -0.436   1.187  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.795   1.355  -0.210  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.014   1.585   0.429  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.832   2.615  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.445   3.408  -1.075  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.240   3.177  -1.712  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.414   2.157  -1.287  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.018   2.847   0.621  1.00  0.00           O  
HETATM   10  N   UNL     1       2.905  -1.435   0.005  1.00  0.00           N  
HETATM   11  C   UNL     1       3.528  -1.813  -1.266  1.00  0.00           C  
HETATM   12  C   UNL     1       4.110  -3.223  -1.149  1.00  0.00           C  
HETATM   13  C   UNL     1       2.975  -4.229  -0.947  1.00  0.00           C  
HETATM   14  C   UNL     1       4.875  -3.568  -2.429  1.00  0.00           C  
HETATM   15  C   UNL     1       1.512  -1.799   0.274  1.00  0.00           C  
HETATM   16  C   UNL     1       0.584  -0.732  -0.308  1.00  0.00           C  
HETATM   17  O   UNL     1       0.703  -0.721  -1.732  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.863  -1.046   0.081  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.737   0.037  -0.373  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.293  -2.359  -0.577  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.786  -2.290  -0.786  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.051  -2.632  -0.346  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.202  -3.416   0.783  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.088  -3.859   1.471  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.823  -3.516   1.031  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.672  -2.732  -0.097  1.00  0.00           C  
HETATM   27  S   UNL     1       3.775  -0.595   1.136  1.00  0.00           S  
HETATM   28  O   UNL     1       5.145  -0.868   0.872  1.00  0.00           O  
HETATM   29  O   UNL     1       3.158  -0.854   2.390  1.00  0.00           O  
HETATM   30  C   UNL     1       3.537   1.120   0.810  1.00  0.00           C  
HETATM   31  C   UNL     1       2.492   1.798   1.409  1.00  0.00           C  
HETATM   32  C   UNL     1       4.397   1.785  -0.045  1.00  0.00           C  
HETATM   33  C   UNL     1       2.304   3.143   1.155  1.00  0.00           C  
HETATM   34  C   UNL     1       4.209   3.128  -0.308  1.00  0.00           C  
HETATM   35  C   UNL     1       3.164   3.812   0.297  1.00  0.00           C  
HETATM   36  O   UNL     1       2.981   5.135   0.045  1.00  0.00           O  
HETATM   37  C   UNL     1       3.905   5.760  -0.848  1.00  0.00           C  
HETATM   38  H   UNL     1      -5.316   0.965   1.259  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.088   4.208  -1.412  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.945   3.798  -2.545  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.473   1.980  -1.786  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.762   2.357   0.245  1.00  0.00           H  
HETATM   43  H   UNL     1       2.780  -1.794  -2.058  1.00  0.00           H  
HETATM   44  H   UNL     1       4.326  -1.110  -1.503  1.00  0.00           H  
HETATM   45  H   UNL     1       4.789  -3.267  -0.297  1.00  0.00           H  
HETATM   46  H   UNL     1       3.373  -5.242  -0.997  1.00  0.00           H  
HETATM   47  H   UNL     1       2.514  -4.066   0.027  1.00  0.00           H  
HETATM   48  H   UNL     1       2.227  -4.094  -1.729  1.00  0.00           H  
HETATM   49  H   UNL     1       5.684  -2.851  -2.572  1.00  0.00           H  
HETATM   50  H   UNL     1       5.290  -4.572  -2.345  1.00  0.00           H  
HETATM   51  H   UNL     1       4.196  -3.524  -3.280  1.00  0.00           H  
HETATM   52  H   UNL     1       1.292  -2.762  -0.187  1.00  0.00           H  
HETATM   53  H   UNL     1       1.356  -1.869   1.351  1.00  0.00           H  
HETATM   54  H   UNL     1       0.861   0.246   0.087  1.00  0.00           H  
HETATM   55  H   UNL     1       0.471  -1.561  -2.152  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.935  -1.142   1.164  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.471   0.594  -1.122  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.306  -2.236  -1.660  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.590  -3.148  -0.309  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.668  -1.682  -1.670  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.922  -2.287  -0.884  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.191  -3.683   1.127  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.206  -4.470   2.353  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.953  -3.862   1.569  1.00  0.00           H  
HETATM   65  H   UNL     1       1.823   1.276   2.077  1.00  0.00           H  
HETATM   66  H   UNL     1       5.213   1.253  -0.512  1.00  0.00           H  
HETATM   67  H   UNL     1       1.487   3.672   1.624  1.00  0.00           H  
HETATM   68  H   UNL     1       4.877   3.647  -0.979  1.00  0.00           H  
HETATM   69  H   UNL     1       4.914   5.676  -0.444  1.00  0.00           H  
HETATM   70  H   UNL     1       3.860   5.268  -1.819  1.00  0.00           H  
HETATM   71  H   UNL     1       3.646   6.812  -0.961  1.00  0.00           H  
CONECT    1   19    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    8    8    4                                       
CONECT    4    3    5    5   38                                       
CONECT    5    6    4    4    9                                       
CONECT    6    7    7    5   39                                       
CONECT    7    8    6    6   40                                       
CONECT    8    3    3    7   41                                       
CONECT    9    5   42                                                 
CONECT   10   27   11   15                                            
CONECT   11   10   12   43   44                                       
CONECT   12   11   13   14   45                                       
CONECT   13   12   46   47   48                                       
CONECT   14   12   49   50   51                                       
CONECT   15   10   16   52   53                                       
CONECT   16   15   17   18   54                                       
CONECT   17   16   55                                                 
CONECT   18   16   19   20   56                                       
CONECT   19   18    1   57                                            
CONECT   20   18   26   58   59                                       
CONECT   21   22   22   26   60                                       
CONECT   22   21   21   23   61                                       
CONECT   23   22   24   24   62                                       
CONECT   24   23   23   25   63                                       
CONECT   25   24   26   26   64                                       
CONECT   26   20   21   25   25                                       
CONECT   27   30   28   28   29                                       
CONECT   27   29   10                                                 
CONECT   28   27   27                                                 
CONECT   29   27   27                                                 
CONECT   30   31   31   32   27                                       
CONECT   31   33   30   30   65                                       
CONECT   32   30   34   34   66                                       
CONECT   33   35   35   31   67                                       
CONECT   34   35   32   32   68                                       
CONECT   35   36   33   33   34                                       
CONECT   36   37   35                                                 
CONECT   37   36   69   70   71                                       
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
