COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.281  -0.216   0.071  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.812   0.696  -0.526  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.056  -1.473   0.371  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.420  -1.346  -0.160  1.00  0.00           N  
HETATM    5  O   UNL     1      -7.224  -1.428  -0.027  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.131  -2.631  -0.099  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.168  -0.302   0.556  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.523  -2.467  -0.715  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.560  -0.162  -0.066  1.00  0.00           C  
HETATM   10  C   UNL     1       1.016   1.267   0.552  1.00  0.00           C  
HETATM   11  O   UNL     1       1.838   0.294   2.500  1.00  0.00           O  
HETATM   12  S   UNL     1      -0.910   2.400  -0.638  1.00  0.00           S  
HETATM   13  C   UNL     1       1.823   0.284   1.283  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.997  -0.106   0.466  1.00  0.00           N  
HETATM   15  C   UNL     1       1.522   2.563   0.137  1.00  0.00           C  
HETATM   16  C   UNL     1       0.602   3.284  -0.514  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.284   1.051   0.190  1.00  0.00           C  
HETATM   18  C   UNL     1       2.935   3.053   0.407  1.00  0.00           C  
HETATM   19  C   UNL     1       3.233   4.233  -0.520  1.00  0.00           C  
HETATM   20  C   UNL     1       2.098   5.256  -0.413  1.00  0.00           C  
HETATM   21  C   UNL     1       0.840   4.677  -1.063  1.00  0.00           C  
HETATM   22  N   UNL     1       2.547  -0.629   0.607  1.00  0.00           N  
HETATM   23  C   UNL     1       3.353  -1.611   1.337  1.00  0.00           C  
HETATM   24  C   UNL     1       4.060  -2.510   0.356  1.00  0.00           C  
HETATM   25  C   UNL     1       3.454  -3.677  -0.072  1.00  0.00           C  
HETATM   26  C   UNL     1       4.100  -4.499  -0.977  1.00  0.00           C  
HETATM   27  C   UNL     1       5.356  -4.160  -1.445  1.00  0.00           C  
HETATM   28  C   UNL     1       5.964  -2.996  -1.012  1.00  0.00           C  
HETATM   29  C   UNL     1       5.315  -2.171  -0.112  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.099  -1.625   1.449  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.562  -2.325  -0.097  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.573  -3.383  -0.656  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.227  -2.945   0.941  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.265  -0.579   1.606  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.637   0.646   0.477  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.075  -3.402  -0.620  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.427  -2.206  -1.768  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.464   0.167  -1.101  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.138   0.571   0.497  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.572  -0.835   0.944  1.00  0.00           H  
HETATM   41  H   UNL     1       3.019   3.374   1.446  1.00  0.00           H  
HETATM   42  H   UNL     1       3.644   2.247   0.216  1.00  0.00           H  
HETATM   43  H   UNL     1       4.173   4.700  -0.224  1.00  0.00           H  
HETATM   44  H   UNL     1       3.310   3.879  -1.547  1.00  0.00           H  
HETATM   45  H   UNL     1       1.897   5.470   0.636  1.00  0.00           H  
HETATM   46  H   UNL     1       2.385   6.174  -0.926  1.00  0.00           H  
HETATM   47  H   UNL     1       0.979   4.621  -2.143  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.015   5.315  -0.836  1.00  0.00           H  
HETATM   49  H   UNL     1       2.535  -0.637  -0.363  1.00  0.00           H  
HETATM   50  H   UNL     1       4.090  -1.093   1.950  1.00  0.00           H  
HETATM   51  H   UNL     1       2.704  -2.210   1.977  1.00  0.00           H  
HETATM   52  H   UNL     1       2.475  -3.944   0.296  1.00  0.00           H  
HETATM   53  H   UNL     1       3.625  -5.408  -1.315  1.00  0.00           H  
HETATM   54  H   UNL     1       5.862  -4.804  -2.148  1.00  0.00           H  
HETATM   55  H   UNL     1       6.945  -2.731  -1.378  1.00  0.00           H  
HETATM   56  H   UNL     1       5.790  -1.262   0.225  1.00  0.00           H  
CONECT    1    2    2   14    3                                       
CONECT    2    1    1                                                 
CONECT    3    4    1   30   31                                       
CONECT    4    7    6    3                                            
CONECT    5    9    8                                                 
CONECT    6    4    8   32   33                                       
CONECT    7    4    9   34   35                                       
CONECT    8    5    6   36   37                                       
CONECT    9    5    7   38   39                                       
CONECT   10   15   17   17   13                                       
CONECT   11   13   13                                                 
CONECT   12   16   17                                                 
CONECT   13   10   11   11   22                                       
CONECT   14   17    1   40                                            
CONECT   15   10   16   16   18                                       
CONECT   16   12   15   15   21                                       
CONECT   17   10   10   12   14                                       
CONECT   18   15   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   16   20   47   48                                       
CONECT   22   13   23   49                                            
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   52                                       
CONECT   26   27   27   25   53                                       
CONECT   27   28   26   26   54                                       
CONECT   28   29   29   27   55                                       
CONECT   29   24   28   28   56                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
