COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.789   1.915  -0.005  1.00  0.00           N  
HETATM    2  C   UNL     1       4.922  -0.199   0.029  1.00  0.00           C  
HETATM    3  C   UNL     1       5.842  -2.289  -1.074  1.00  0.00           C  
HETATM    4  C   UNL     1       5.057  -3.457  -0.490  1.00  0.00           C  
HETATM    5  C   UNL     1       4.024  -2.923   0.517  1.00  0.00           C  
HETATM    6  C   UNL     1       3.028  -1.975  -0.155  1.00  0.00           C  
HETATM    7  C   UNL     1       3.548  -0.564  -0.055  1.00  0.00           C  
HETATM    8  C   UNL     1       2.837   0.590   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       1.375   0.704  -0.073  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.607   2.016   0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.239   3.175  -0.404  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.216   5.370  -1.321  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.620   3.269  -0.357  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.369   2.214   0.130  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.743   1.062   0.571  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.171  -2.368  -0.472  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.014  -3.641  -0.607  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.022  -2.387  -1.004  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.282  -1.049  -0.890  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.365   0.959   0.522  1.00  0.00           C  
HETATM   21  N   UNL     1       3.723   1.641   0.142  1.00  0.00           N  
HETATM   22  C   UNL     1       4.981   1.165   0.165  1.00  0.00           C  
HETATM   23  O   UNL     1       6.945  -1.155   0.698  1.00  0.00           O  
HETATM   24  C   UNL     1       6.235   1.987   0.316  1.00  0.00           C  
HETATM   25  C   UNL     1       5.985  -1.200  -0.043  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.062  -1.260  -0.094  1.00  0.00           N  
HETATM   27  O   UNL     1       0.693  -0.296  -0.197  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.501   4.213  -0.883  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.117  -3.386  -1.480  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.846  -1.027   2.041  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.936   0.279   1.627  1.00  0.00           O  
HETATM   32  S   UNL     1      -3.703  -0.278   1.191  1.00  0.00           S  
HETATM   33  H   UNL     1       1.334   2.717   0.016  1.00  0.00           H  
HETATM   34  H   UNL     1       6.830  -2.634  -1.377  1.00  0.00           H  
HETATM   35  H   UNL     1       5.314  -1.897  -1.944  1.00  0.00           H  
HETATM   36  H   UNL     1       4.543  -3.987  -1.292  1.00  0.00           H  
HETATM   37  H   UNL     1       5.741  -4.137   0.016  1.00  0.00           H  
HETATM   38  H   UNL     1       3.481  -3.763   0.950  1.00  0.00           H  
HETATM   39  H   UNL     1       4.545  -2.388   1.311  1.00  0.00           H  
HETATM   40  H   UNL     1       2.915  -2.248  -1.204  1.00  0.00           H  
HETATM   41  H   UNL     1       2.062  -2.046   0.346  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.893   5.094  -2.130  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.791   5.778  -0.490  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.511   6.120  -1.678  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.112   4.167  -0.701  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.445   2.289   0.166  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.413  -2.509   0.298  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.691  -2.143  -1.425  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.401  -4.442  -1.019  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.387  -3.936   0.374  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.402  -2.677  -0.024  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.853  -2.285  -1.702  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.014  -0.692  -1.885  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.921  -0.317  -0.397  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.879   0.058   0.867  1.00  0.00           H  
HETATM   56  H   UNL     1       3.476   2.577   0.213  1.00  0.00           H  
HETATM   57  H   UNL     1       6.480   2.085   1.373  1.00  0.00           H  
HETATM   58  H   UNL     1       7.057   1.494  -0.204  1.00  0.00           H  
HETATM   59  H   UNL     1       6.075   2.976  -0.113  1.00  0.00           H  
CONECT    1    9   10   33                                            
CONECT    2   22   22   25    7                                       
CONECT    3   25    4   34   35                                       
CONECT    4    3    5   36   37                                       
CONECT    5    6    4   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    2    8    8    6                                       
CONECT    8   21    9    7    7                                       
CONECT    9   27   27    8    1                                       
CONECT   10   20    1   11   11                                       
CONECT   11   10   10   28   13                                       
CONECT   12   28   42   43   44                                       
CONECT   13   14   14   11   45                                       
CONECT   14   15   13   13   46                                       
CONECT   15   32   20   20   14                                       
CONECT   16   17   26   47   48                                       
CONECT   17   16   29   49   50                                       
CONECT   18   29   19   51   52                                       
CONECT   19   26   18   53   54                                       
CONECT   20   15   15   10   55                                       
CONECT   21   22    8   56                                            
CONECT   22   24   21    2    2                                       
CONECT   23   25   25                                                 
CONECT   24   22   57   58   59                                       
CONECT   25   23   23    2    3                                       
CONECT   26   16   32   19                                            
CONECT   27    9    9                                                 
CONECT   28   11   12                                                 
CONECT   29   17   18                                                 
CONECT   30   32   32                                                 
CONECT   31   32   32                                                 
CONECT   32   30   30   26   31                                       
CONECT   32   31   15                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
