COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.832   0.628   0.796  1.00  0.00           C  
HETATM    2  C   UNL     1       3.197   0.796   0.684  1.00  0.00           C  
HETATM    3  C   UNL     1       3.713   1.691  -0.236  1.00  0.00           C  
HETATM    4  C   UNL     1       0.973   1.358  -0.023  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.354   1.907  -0.730  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.495   1.178   0.089  1.00  0.00           C  
HETATM    7  C   UNL     1       1.499   2.258  -0.948  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.388   0.114   1.114  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.719   1.735  -0.622  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.519   1.860  -0.022  1.00  0.00           O  
HETATM   11  S   UNL     1      -4.979   0.626   0.431  1.00  0.00           S  
HETATM   12  O   UNL     1      -5.177   0.187   1.768  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.362  -0.705  -0.739  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.865  -0.988  -0.716  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.167  -2.037  -1.638  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.235   0.841   0.298  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.021   0.278   1.014  1.00  0.00           C  
HETATM   18  C   UNL     1       5.205   1.870  -0.354  1.00  0.00           C  
HETATM   19  C   UNL     1       5.774   0.802  -1.291  1.00  0.00           C  
HETATM   20  C   UNL     1       7.288   0.984  -1.411  1.00  0.00           C  
HETATM   21  C   UNL     1       2.865   2.422  -1.048  1.00  0.00           C  
HETATM   22  C   UNL     1       4.128   0.004   1.566  1.00  0.00           C  
HETATM   23  C   UNL     1       3.502  -0.814   2.697  1.00  0.00           C  
HETATM   24  C   UNL     1       4.069  -1.521   1.465  1.00  0.00           C  
HETATM   25  C   UNL     1       3.086  -2.117   0.490  1.00  0.00           C  
HETATM   26  N   UNL     1       3.487  -2.447  -0.722  1.00  0.00           N  
HETATM   27  C   UNL     1       2.662  -2.970  -1.607  1.00  0.00           C  
HETATM   28  C   UNL     1       1.335  -3.193  -1.292  1.00  0.00           C  
HETATM   29  C   UNL     1       0.876  -2.859  -0.027  1.00  0.00           C  
HETATM   30  C   UNL     1       1.774  -2.315   0.879  1.00  0.00           C  
HETATM   31  H   UNL     1       1.430  -0.071   1.515  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.952   2.609  -1.446  1.00  0.00           H  
HETATM   33  H   UNL     1       0.837   2.826  -1.586  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.796  -0.583   1.831  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.386   2.301  -1.256  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.065  -0.403  -1.744  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.819  -1.606  -0.455  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.163  -1.291   0.288  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.409  -0.087  -1.000  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.105  -2.270  -1.676  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.360  -0.291   1.652  1.00  0.00           H  
HETATM   42  H   UNL     1       5.422   2.859  -0.756  1.00  0.00           H  
HETATM   43  H   UNL     1       5.662   1.770   0.631  1.00  0.00           H  
HETATM   44  H   UNL     1       5.557  -0.187  -0.888  1.00  0.00           H  
HETATM   45  H   UNL     1       5.317   0.902  -2.275  1.00  0.00           H  
HETATM   46  H   UNL     1       7.694   0.223  -2.078  1.00  0.00           H  
HETATM   47  H   UNL     1       7.505   1.973  -1.813  1.00  0.00           H  
HETATM   48  H   UNL     1       7.745   0.884  -0.426  1.00  0.00           H  
HETATM   49  H   UNL     1       3.273   3.119  -1.765  1.00  0.00           H  
HETATM   50  H   UNL     1       5.101   0.459   1.752  1.00  0.00           H  
HETATM   51  H   UNL     1       4.064  -0.898   3.628  1.00  0.00           H  
HETATM   52  H   UNL     1       2.418  -0.780   2.804  1.00  0.00           H  
HETATM   53  H   UNL     1       5.003  -2.070   1.584  1.00  0.00           H  
HETATM   54  H   UNL     1       3.028  -3.228  -2.590  1.00  0.00           H  
HETATM   55  H   UNL     1       0.664  -3.622  -2.022  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.156  -3.021   0.247  1.00  0.00           H  
HETATM   57  H   UNL     1       1.452  -2.047   1.874  1.00  0.00           H  
CONECT    1    4    4    2   31                                       
CONECT    2    3    3    1   22                                       
CONECT    3   21   18    2    2                                       
CONECT    4    7    6    1    1                                       
CONECT    5    9    9    6   32                                       
CONECT    6    5    4   17   17                                       
CONECT    7   21   21    4   33                                       
CONECT    8   16   16   17   34                                       
CONECT    9    5    5   16   35                                       
CONECT   10   11   11                                                 
CONECT   11   12   12   13   16                                       
CONECT   11   10   10                                                 
CONECT   12   11   11                                                 
CONECT   13   14   11   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   14   40                                                 
CONECT   16    9   11    8    8                                       
CONECT   17    6    6    8   41                                       
CONECT   18   19    3   42   43                                       
CONECT   19   20   18   44   45                                       
CONECT   20   19   46   47   48                                       
CONECT   21    7    7    3   49                                       
CONECT   22    2   23   24   50                                       
CONECT   23   22   24   51   52                                       
CONECT   24   23   22   25   53                                       
CONECT   25   26   24   30   30                                       
CONECT   26   27   27   25                                            
CONECT   27   26   26   28   54                                       
CONECT   28   27   29   29   55                                       
CONECT   29   28   28   30   56                                       
CONECT   30   25   25   29   57                                       
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
