COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.808  -1.558  -0.082  1.00  0.00           C  
HETATM    2  C   UNL     1     -10.869   0.029  -0.607  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.982   0.976  -1.059  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.238   0.777  -0.208  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.184  -1.049   0.264  1.00  0.00           C  
HETATM    6  C   UNL     1       4.107   3.635  -0.007  1.00  0.00           C  
HETATM    7  C   UNL     1       4.459   2.240   0.443  1.00  0.00           C  
HETATM    8  C   UNL     1       5.788   1.820  -0.190  1.00  0.00           C  
HETATM    9  C   UNL     1       6.109   0.380   0.224  1.00  0.00           C  
HETATM   10  C   UNL     1       4.951  -0.530  -0.196  1.00  0.00           C  
HETATM   11  C   UNL     1       3.655  -0.019   0.437  1.00  0.00           C  
HETATM   12  C   UNL     1       5.966  -2.726  -0.490  1.00  0.00           C  
HETATM   13  C   UNL     1       6.236  -4.132  -0.021  1.00  0.00           C  
HETATM   14  C   UNL     1       2.484  -0.888  -0.026  1.00  0.00           C  
HETATM   15  C   UNL     1       1.173  -0.304   0.506  1.00  0.00           C  
HETATM   16  C   UNL     1       0.002  -1.173   0.042  1.00  0.00           C  
HETATM   17  N   UNL     1       5.214  -1.898   0.260  1.00  0.00           N  
HETATM   18  O   UNL     1       6.427  -2.339  -1.544  1.00  0.00           O  
HETATM   19  O   UNL     1       3.128   3.819  -0.690  1.00  0.00           O  
HETATM   20  O   UNL     1       4.881   4.671   0.352  1.00  0.00           O  
HETATM   21  O   UNL     1       7.311  -0.046  -0.421  1.00  0.00           O  
HETATM   22  O   UNL     1       3.432   1.334   0.036  1.00  0.00           O  
HETATM   23  O   UNL     1       2.448  -0.917  -1.454  1.00  0.00           O  
HETATM   24  O   UNL     1       1.210  -0.275   1.934  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.560  -0.401   0.547  1.00  0.00           S  
HETATM   26  C   UNL     1      -4.956  -0.230  -0.488  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.512  -0.070  -0.184  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.884  -1.321   1.370  1.00  0.00           N  
HETATM   29  N   UNL     1      -6.013  -0.708   1.310  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.098  -0.042   0.212  1.00  0.00           N  
HETATM   31  O   UNL     1      -9.623   0.729  -0.594  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.658  -2.537   0.374  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.713  -1.643  -1.164  1.00  0.00           H  
HETATM   34  H   UNL     1     -11.089  -0.339   0.395  1.00  0.00           H  
HETATM   35  H   UNL     1     -10.806  -0.813  -1.297  1.00  0.00           H  
HETATM   36  H   UNL     1     -12.045   1.818  -0.369  1.00  0.00           H  
HETATM   37  H   UNL     1     -11.761   1.344  -2.061  1.00  0.00           H  
HETATM   38  H   UNL     1     -12.932   0.442  -1.069  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.067   1.147  -1.219  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.350   1.621   0.473  1.00  0.00           H  
HETATM   41  H   UNL     1       4.552   2.221   1.529  1.00  0.00           H  
HETATM   42  H   UNL     1       5.709   1.878  -1.275  1.00  0.00           H  
HETATM   43  H   UNL     1       6.582   2.483   0.155  1.00  0.00           H  
HETATM   44  H   UNL     1       6.237   0.332   1.306  1.00  0.00           H  
HETATM   45  H   UNL     1       4.856  -0.520  -1.282  1.00  0.00           H  
HETATM   46  H   UNL     1       3.737  -0.068   1.523  1.00  0.00           H  
HETATM   47  H   UNL     1       5.292  -4.665   0.092  1.00  0.00           H  
HETATM   48  H   UNL     1       6.858  -4.647  -0.753  1.00  0.00           H  
HETATM   49  H   UNL     1       6.753  -4.102   0.938  1.00  0.00           H  
HETATM   50  H   UNL     1       2.610  -1.902   0.354  1.00  0.00           H  
HETATM   51  H   UNL     1       1.047   0.710   0.125  1.00  0.00           H  
HETATM   52  H   UNL     1       0.027  -1.267  -1.043  1.00  0.00           H  
HETATM   53  H   UNL     1       0.082  -2.161   0.495  1.00  0.00           H  
HETATM   54  H   UNL     1       4.845  -2.207   1.103  1.00  0.00           H  
HETATM   55  H   UNL     1       4.615   5.546   0.039  1.00  0.00           H  
HETATM   56  H   UNL     1       8.085   0.492  -0.205  1.00  0.00           H  
HETATM   57  H   UNL     1       2.337  -0.047  -1.863  1.00  0.00           H  
HETATM   58  H   UNL     1       1.321  -1.145   2.342  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.711   0.188  -1.453  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.400  -0.914  -0.865  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.683  -0.440   0.827  1.00  0.00           H  
CONECT    1    5   25   32   33                                       
CONECT    2    3   31   34   35                                       
CONECT    3    2   36   37   38                                       
CONECT    4   27   30   39   40                                       
CONECT    5    1   26   26   28                                       
CONECT    6    7   19   19   20                                       
CONECT    7    6    8   22   41                                       
CONECT    8    7    9   42   43                                       
CONECT    9    8   10   21   44                                       
CONECT   10    9   11   17   45                                       
CONECT   11   10   14   22   46                                       
CONECT   12   13   17   18   18                                       
CONECT   13   12   47   48   49                                       
CONECT   14   11   15   23   50                                       
CONECT   15   14   16   24   51                                       
CONECT   16   15   25   52   53                                       
CONECT   17   10   12   54                                            
CONECT   18   12   12                                                 
CONECT   19    6    6                                                 
CONECT   20    6   55                                                 
CONECT   21    9   56                                                 
CONECT   22    7   11                                                 
CONECT   23   14   57                                                 
CONECT   24   15   58                                                 
CONECT   25    1   16                                                 
CONECT   26    5    5   30   59                                       
CONECT   27    4   31   60   61                                       
CONECT   28    5   29   29                                            
CONECT   29   28   28   30                                            
CONECT   30    4   26   29                                            
CONECT   31    2   27                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
