COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.036   3.444   1.067  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.696  -2.235  -0.488  1.00  0.00           N  
HETATM    3  O   UNL     1      -6.400   2.282   0.318  1.00  0.00           O  
HETATM    4  S   UNL     1      -2.828  -2.381   0.713  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.575   1.206   0.409  1.00  0.00           C  
HETATM    6  N   UNL     1       1.684   2.229  -0.554  1.00  0.00           N  
HETATM    7  O   UNL     1       6.381  -2.259   0.429  1.00  0.00           O  
HETATM    8  S   UNL     1       2.809   2.415   0.647  1.00  0.00           S  
HETATM    9  C   UNL     1      -5.868   0.045  -0.292  1.00  0.00           C  
HETATM   10  O   UNL     1       3.598   3.541   0.286  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.028  -1.048  -0.197  1.00  0.00           C  
HETATM   12  O   UNL     1       2.102   2.324   1.877  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.897  -0.985   0.595  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.615  -3.518   0.386  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.852  -1.121  -0.521  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.128  -2.247   1.942  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.400  -0.612  -1.756  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.783  -1.204  -2.971  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.329  -0.686  -4.145  1.00  0.00           C  
HETATM   20  C   UNL     1       0.513   0.424  -4.161  1.00  0.00           C  
HETATM   21  C   UNL     1       0.905   1.023  -3.003  1.00  0.00           C  
HETATM   22  C   UNL     1       0.455   0.518  -1.773  1.00  0.00           C  
HETATM   23  C   UNL     1       0.840   1.114  -0.554  1.00  0.00           C  
HETATM   24  C   UNL     1       3.878   1.016   0.582  1.00  0.00           C  
HETATM   25  C   UNL     1       5.014   1.052  -0.206  1.00  0.00           C  
HETATM   26  C   UNL     1       5.853  -0.044  -0.259  1.00  0.00           C  
HETATM   27  C   UNL     1       5.557  -1.180   0.479  1.00  0.00           C  
HETATM   28  C   UNL     1       6.013  -3.395   1.215  1.00  0.00           C  
HETATM   29  C   UNL     1       4.417  -1.213   1.270  1.00  0.00           C  
HETATM   30  C   UNL     1       3.583  -0.113   1.323  1.00  0.00           C  
HETATM   31  C   UNL     1       0.382   0.593   0.636  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.463  -0.513   0.652  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.603   0.170   1.294  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.436   1.268   1.199  1.00  0.00           C  
HETATM   35  H   UNL     1      -5.058   3.795   0.739  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.777   4.227   0.905  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.996   3.194   2.127  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.619  -2.922  -1.168  1.00  0.00           H  
HETATM   39  H   UNL     1       1.610   2.893  -1.257  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.752  -0.005  -0.910  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.256  -1.952  -0.743  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.434  -2.065  -2.973  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.625  -1.143  -5.078  1.00  0.00           H  
HETATM   44  H   UNL     1       0.860   0.815  -5.107  1.00  0.00           H  
HETATM   45  H   UNL     1       1.558   1.883  -3.031  1.00  0.00           H  
HETATM   46  H   UNL     1       5.245   1.937  -0.780  1.00  0.00           H  
HETATM   47  H   UNL     1       6.740  -0.016  -0.875  1.00  0.00           H  
HETATM   48  H   UNL     1       6.753  -4.183   1.084  1.00  0.00           H  
HETATM   49  H   UNL     1       5.968  -3.109   2.266  1.00  0.00           H  
HETATM   50  H   UNL     1       5.036  -3.757   0.895  1.00  0.00           H  
HETATM   51  H   UNL     1       4.183  -2.096   1.845  1.00  0.00           H  
HETATM   52  H   UNL     1       2.698  -0.136   1.942  1.00  0.00           H  
HETATM   53  H   UNL     1       0.678   1.051   1.568  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.814  -0.902   1.597  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.719   0.217   1.913  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.204   2.172   1.742  1.00  0.00           H  
CONECT    1    3   35   36   37                                       
CONECT    2    4   15   38                                            
CONECT    3    1    5                                                 
CONECT    4    2   13   14   14                                       
CONECT    4   16   16                                                 
CONECT    5    3    9    9   34                                       
CONECT    6    8   23   39                                            
CONECT    7   27   28                                                 
CONECT    8    6   10   10   12                                       
CONECT    8   12   24                                                 
CONECT    9    5    5   11   40                                       
CONECT   10    8    8                                                 
CONECT   11    9   13   13   41                                       
CONECT   12    8    8                                                 
CONECT   13    4   11   11   33                                       
CONECT   14    4    4                                                 
CONECT   15    2   17   17   32                                       
CONECT   16    4    4                                                 
CONECT   17   15   15   18   22                                       
CONECT   18   17   19   19   42                                       
CONECT   19   18   18   20   43                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   17   21   23   23                                       
CONECT   23    6   22   22   31                                       
CONECT   24    8   25   25   30                                       
CONECT   25   24   24   26   46                                       
CONECT   26   25   27   27   47                                       
CONECT   27    7   26   26   29                                       
CONECT   28    7   48   49   50                                       
CONECT   29   27   30   30   51                                       
CONECT   30   24   29   29   52                                       
CONECT   31   23   32   32   53                                       
CONECT   32   15   31   31   54                                       
CONECT   33   13   34   34   55                                       
CONECT   34    5   33   33   56                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
