COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.337   5.570   0.000  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.276  -1.717  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.813   2.212  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.398   0.314  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.643  -6.273   0.006  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.537  -2.172  -0.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.922  -3.599   0.001  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.939  -4.590  -0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.305  -5.920  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.622  -5.295   0.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.270  -3.961   0.004  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.571   1.689  -0.005  1.00  0.00           N  
HETATM   13  N   UNL     1       2.257  -0.296   0.002  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.067   3.536   1.253  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.075   3.534  -1.246  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.346   4.040   0.001  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.981   3.547  -0.002  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.781   1.478   0.002  1.00  0.00           O  
HETATM   19  S   UNL     1      -2.666  -0.826   0.000  1.00  0.00           S  
HETATM   20  C   UNL     1      -0.181  -0.323  -0.001  1.00  0.00           C  
HETATM   21  C   UNL     1       1.099   0.394  -0.002  1.00  0.00           C  
HETATM   22  O   UNL     1       1.115   1.610  -0.007  1.00  0.00           O  
HETATM   23  C   UNL     1       3.536   0.419   0.000  1.00  0.00           C  
HETATM   24  C   UNL     1       4.685  -0.590   0.005  1.00  0.00           C  
HETATM   25  C   UNL     1       6.000   0.146   0.003  1.00  0.00           C  
HETATM   26  C   UNL     1       6.602   0.488   1.199  1.00  0.00           C  
HETATM   27  C   UNL     1       7.808   1.163   1.198  1.00  0.00           C  
HETATM   28  C   UNL     1       8.412   1.496   0.000  1.00  0.00           C  
HETATM   29  C   UNL     1       7.810   1.154  -1.197  1.00  0.00           C  
HETATM   30  C   UNL     1       6.607   0.473  -1.195  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.818   5.931   0.888  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.823   5.930  -0.892  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.362   5.940   0.002  1.00  0.00           H  
HETATM   34  H   UNL     1       0.586  -2.368  -0.007  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.924  -7.315   0.008  1.00  0.00           H  
HETATM   36  H   UNL     1       0.106  -4.316  -0.014  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.545  -6.688  -0.009  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.665  -5.577   0.009  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.036  -3.200   0.010  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.798   2.274  -0.007  1.00  0.00           H  
HETATM   41  H   UNL     1       2.244  -1.266   0.005  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.074   2.446   1.254  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.549   3.897   2.141  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.093   3.906   1.255  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.100   3.904  -1.243  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.561   3.893  -2.138  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.082   2.444  -1.245  1.00  0.00           H  
HETATM   48  H   UNL     1       3.602   1.042  -0.893  1.00  0.00           H  
HETATM   49  H   UNL     1       3.601   1.049   0.887  1.00  0.00           H  
HETATM   50  H   UNL     1       4.618  -1.213   0.897  1.00  0.00           H  
HETATM   51  H   UNL     1       4.620  -1.220  -0.883  1.00  0.00           H  
HETATM   52  H   UNL     1       6.130   0.228   2.135  1.00  0.00           H  
HETATM   53  H   UNL     1       8.279   1.431   2.132  1.00  0.00           H  
HETATM   54  H   UNL     1       9.352   2.028  -0.002  1.00  0.00           H  
HETATM   55  H   UNL     1       8.282   1.414  -2.132  1.00  0.00           H  
HETATM   56  H   UNL     1       6.137   0.206  -2.130  1.00  0.00           H  
CONECT    1   16   31   32   33                                       
CONECT    2   20    6    6   34                                       
CONECT    3   17   18   18   12                                       
CONECT    4   12   19   20   20                                       
CONECT    5   10   10    9   35                                       
CONECT    6   19    2    2    7                                       
CONECT    7    6   11   11    8                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8    5   37                                       
CONECT   10   11    5    5   38                                       
CONECT   11    7    7   10   39                                       
CONECT   12    3    4   40                                            
CONECT   13   21   23   41                                            
CONECT   14   16   42   43   44                                       
CONECT   15   16   45   46   47                                       
CONECT   16   14   15   17    1                                       
CONECT   17   16    3                                                 
CONECT   18    3    3                                                 
CONECT   19    4    6                                                 
CONECT   20    4    4   21    2                                       
CONECT   21   22   22   20   13                                       
CONECT   22   21   21                                                 
CONECT   23   13   24   48   49                                       
CONECT   24   25   23   50   51                                       
CONECT   25   30   30   26   24                                       
CONECT   26   27   27   25   52                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   28   28   30   55                                       
CONECT   30   29   25   25   56                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
