COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.838  -1.744   0.115  1.00  0.00           O  
HETATM    2  C   UNL     1       1.395  -1.435  -0.964  1.00  0.00           C  
HETATM    3  C   UNL     1       1.455  -0.001  -1.422  1.00  0.00           C  
HETATM    4  C   UNL     1       2.122   0.068  -2.797  1.00  0.00           C  
HETATM    5  C   UNL     1       2.302   1.532  -3.203  1.00  0.00           C  
HETATM    6  C   UNL     1       3.488  -0.616  -2.737  1.00  0.00           C  
HETATM    7  C   UNL     1       0.037   0.565  -1.513  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.748  -0.164  -2.622  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.778   0.636  -3.849  1.00  0.00           N  
HETATM   10  S   UNL     1      -0.679  -0.106  -5.325  1.00  0.00           S  
HETATM   11  O   UNL     1      -0.695   0.988  -6.231  1.00  0.00           O  
HETATM   12  O   UNL     1       0.456  -0.948  -5.179  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.215  -1.066  -5.409  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.169  -0.294  -2.013  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.846  -0.522  -0.515  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.674   0.336  -0.247  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.318   0.824   0.957  1.00  0.00           C  
HETATM   18  O   UNL     1       0.608   1.607   1.046  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.049   0.410   2.164  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.698   0.892   3.353  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.447   0.468   4.589  1.00  0.00           C  
HETATM   22  N   UNL     1      -0.521  -0.183   5.524  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.309  -0.569   6.699  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.406  -1.253   7.727  1.00  0.00           C  
HETATM   25  C   UNL     1       0.678  -0.269   8.178  1.00  0.00           C  
HETATM   26  C   UNL     1       1.432   0.237   6.944  1.00  0.00           C  
HETATM   27  C   UNL     1       0.433   0.842   5.957  1.00  0.00           C  
HETATM   28  H   UNL     1       0.955  -2.187  -1.603  1.00  0.00           H  
HETATM   29  H   UNL     1       2.035   0.583  -0.707  1.00  0.00           H  
HETATM   30  H   UNL     1       1.494  -0.437  -3.531  1.00  0.00           H  
HETATM   31  H   UNL     1       2.867   1.584  -4.134  1.00  0.00           H  
HETATM   32  H   UNL     1       1.325   1.993  -3.345  1.00  0.00           H  
HETATM   33  H   UNL     1       2.844   2.062  -2.419  1.00  0.00           H  
HETATM   34  H   UNL     1       4.116  -0.111  -2.003  1.00  0.00           H  
HETATM   35  H   UNL     1       3.359  -1.659  -2.448  1.00  0.00           H  
HETATM   36  H   UNL     1       3.963  -0.567  -3.717  1.00  0.00           H  
HETATM   37  H   UNL     1       0.077   1.633  -1.728  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.320  -1.147  -2.816  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.855   1.601  -3.796  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.256  -1.605  -6.356  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.244  -1.778  -4.584  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.069  -0.392  -5.337  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.741   0.622  -2.155  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.697  -1.151  -2.433  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.689  -0.216   0.104  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.600  -1.568  -0.335  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.872  -0.284   2.085  1.00  0.00           H  
HETATM   48  H   UNL     1       0.124   1.587   3.432  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.887   1.344   5.066  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.237  -0.230   4.314  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.756   0.319   7.144  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.098  -1.257   6.396  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.000  -1.558   8.588  1.00  0.00           H  
HETATM   54  H   UNL     1       0.060  -2.128   7.277  1.00  0.00           H  
HETATM   55  H   UNL     1       0.216   0.571   8.694  1.00  0.00           H  
HETATM   56  H   UNL     1       1.373  -0.774   8.848  1.00  0.00           H  
HETATM   57  H   UNL     1       2.153   0.997   7.245  1.00  0.00           H  
HETATM   58  H   UNL     1       1.955  -0.593   6.470  1.00  0.00           H  
HETATM   59  H   UNL     1       0.968   1.228   5.090  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.105   1.657   6.441  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   28                                       
CONECT    3    2    4    7   29                                       
CONECT    4    3    5    6   30                                       
CONECT    5    4   31   32   33                                       
CONECT    6    4   34   35   36                                       
CONECT    7    3    8   16   37                                       
CONECT    8    7    9   14   38                                       
CONECT    9    8   10   39                                            
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   40   41   42                                       
CONECT   14    8   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16    7   15   17                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   20   47                                       
CONECT   20   19   19   21   48                                       
CONECT   21   20   22   49   50                                       
CONECT   22   21   23   27                                            
CONECT   23   22   24   51   52                                       
CONECT   24   23   25   53   54                                       
CONECT   25   24   26   55   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   22   26   59   60                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
