COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.257   4.007  -1.934  1.00  0.00           O  
HETATM    2  N   UNL     1       0.846   3.277  -1.429  1.00  0.00           N  
HETATM    3  N   UNL     1       1.346  -0.034   0.075  1.00  0.00           N  
HETATM    4  C   UNL     1       1.813   1.307  -0.288  1.00  0.00           C  
HETATM    5  C   UNL     1       0.640   2.145  -0.727  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.489   1.801  -0.449  1.00  0.00           O  
HETATM    7  C   UNL     1       2.481   1.960   0.924  1.00  0.00           C  
HETATM    8  C   UNL     1       3.580   1.039   1.458  1.00  0.00           C  
HETATM    9  C   UNL     1       3.095   3.298   0.508  1.00  0.00           C  
HETATM   10  S   UNL     1       0.360  -0.240   1.390  1.00  0.00           S  
HETATM   11  O   UNL     1       0.864  -1.364   2.098  1.00  0.00           O  
HETATM   12  O   UNL     1       0.205   1.044   1.980  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.227  -0.704   0.784  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.474  -2.035   0.453  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.689  -2.427  -0.018  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.197   0.242   0.651  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.465  -0.125   0.168  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.713  -1.477  -0.174  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.981  -1.844  -0.658  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.949  -0.898  -0.796  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.703   0.434  -0.464  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.491   0.823   0.018  1.00  0.00           C  
HETATM   23  C   UNL     1       3.124  -1.680  -0.256  1.00  0.00           C  
HETATM   24  C   UNL     1       3.570  -2.858  -1.124  1.00  0.00           C  
HETATM   25  C   UNL     1       1.752  -1.192  -0.724  1.00  0.00           C  
HETATM   26  C   UNL     1       3.779  -2.382  -2.563  1.00  0.00           C  
HETATM   27  C   UNL     1       4.883  -3.425  -0.579  1.00  0.00           C  
HETATM   28  H   UNL     1       1.749   3.592  -1.587  1.00  0.00           H  
HETATM   29  H   UNL     1       2.532   1.233  -1.103  1.00  0.00           H  
HETATM   30  H   UNL     1       1.021  -1.992  -0.602  1.00  0.00           H  
HETATM   31  H   UNL     1       1.806  -0.907  -1.775  1.00  0.00           H  
HETATM   32  H   UNL     1       1.737   2.127   1.703  1.00  0.00           H  
HETATM   33  H   UNL     1       4.349   0.911   0.696  1.00  0.00           H  
HETATM   34  H   UNL     1       4.023   1.481   2.350  1.00  0.00           H  
HETATM   35  H   UNL     1       3.151   0.069   1.708  1.00  0.00           H  
HETATM   36  H   UNL     1       2.302   3.986   0.214  1.00  0.00           H  
HETATM   37  H   UNL     1       3.649   3.720   1.346  1.00  0.00           H  
HETATM   38  H   UNL     1       3.770   3.142  -0.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.688  -2.767   0.572  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.993   1.269   0.916  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.865  -3.462  -0.271  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.316   1.858   0.274  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.186  -2.872  -0.919  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.922  -1.182  -1.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.488   1.165  -0.583  1.00  0.00           H  
HETATM   46  H   UNL     1       3.061  -1.998   0.785  1.00  0.00           H  
HETATM   47  H   UNL     1       3.848  -0.869  -0.345  1.00  0.00           H  
HETATM   48  H   UNL     1       2.804  -3.633  -1.105  1.00  0.00           H  
HETATM   49  H   UNL     1       2.844  -1.978  -2.951  1.00  0.00           H  
HETATM   50  H   UNL     1       4.545  -1.607  -2.581  1.00  0.00           H  
HETATM   51  H   UNL     1       4.097  -3.221  -3.181  1.00  0.00           H  
HETATM   52  H   UNL     1       4.734  -3.765   0.446  1.00  0.00           H  
HETATM   53  H   UNL     1       5.200  -4.265  -1.197  1.00  0.00           H  
HETATM   54  H   UNL     1       5.649  -2.650  -0.597  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.011   4.804  -2.424  1.00  0.00           H  
CONECT    1    2   55                                                 
CONECT    2    1    5   28                                            
CONECT    3    4   10   25                                            
CONECT    4    3    5    7   29                                       
CONECT    5    2    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    4    8    9   32                                       
CONECT    8    7   33   34   35                                       
CONECT    9    7   36   37   38                                       
CONECT   10    3   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   14   16   16                                       
CONECT   14   13   15   15   39                                       
CONECT   15   14   14   18   41                                       
CONECT   16   13   13   17   40                                       
CONECT   17   16   18   18   22                                       
CONECT   18   15   17   17   19                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   45                                       
CONECT   22   17   21   21   42                                       
CONECT   23   24   25   46   47                                       
CONECT   24   23   26   27   48                                       
CONECT   25    3   23   30   31                                       
CONECT   26   24   49   50   51                                       
CONECT   27   24   52   53   54                                       
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30   25                                                      
CONECT   31   25                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   15                                                      
CONECT   42   22                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55    1                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
