COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.207   1.607   0.456  1.00  0.00           O  
HETATM    2  C   UNL     1       2.829   0.567  -0.040  1.00  0.00           C  
HETATM    3  N   UNL     1       3.712  -0.418  -0.297  1.00  0.00           N  
HETATM    4  C   UNL     1       5.130  -0.232   0.022  1.00  0.00           C  
HETATM    5  C   UNL     1       5.799   0.562  -1.119  1.00  0.00           C  
HETATM    6  C   UNL     1       7.062   1.185  -0.591  1.00  0.00           C  
HETATM    7  C   UNL     1       8.305   0.313  -0.855  1.00  0.00           C  
HETATM    8  C   UNL     1       8.046  -1.186  -0.607  1.00  0.00           C  
HETATM    9  C   UNL     1       7.227  -1.432   0.631  1.00  0.00           C  
HETATM   10  C   UNL     1       5.743  -1.536   0.224  1.00  0.00           C  
HETATM   11  C   UNL     1       1.369   0.373  -0.362  1.00  0.00           C  
HETATM   12  C   UNL     1       0.590   1.632   0.025  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.887   1.445  -0.336  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.376   0.213   0.299  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.646  -1.040   0.066  1.00  0.00           C  
HETATM   16  C   UNL     1       0.829  -0.824   0.423  1.00  0.00           C  
HETATM   17  S   UNL     1      -2.725   0.238   1.259  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.622  -0.883   2.125  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.860   1.573   1.728  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.113  -0.065   0.216  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.543  -1.360  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.826  -2.513   0.651  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.632  -1.598  -0.820  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.290  -0.541  -1.420  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.477  -0.800  -2.312  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.860   0.755  -1.201  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.775   0.993  -0.379  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.306   2.405  -0.140  1.00  0.00           C  
HETATM   29  H   UNL     1       3.409  -1.250  -0.693  1.00  0.00           H  
HETATM   30  H   UNL     1       5.211   0.343   0.945  1.00  0.00           H  
HETATM   31  H   UNL     1       6.039  -0.112  -1.942  1.00  0.00           H  
HETATM   32  H   UNL     1       5.123   1.343  -1.467  1.00  0.00           H  
HETATM   33  H   UNL     1       7.204   2.155  -1.069  1.00  0.00           H  
HETATM   34  H   UNL     1       6.959   1.336   0.484  1.00  0.00           H  
HETATM   35  H   UNL     1       8.616   0.450  -1.890  1.00  0.00           H  
HETATM   36  H   UNL     1       9.111   0.642  -0.199  1.00  0.00           H  
HETATM   37  H   UNL     1       7.519  -1.599  -1.467  1.00  0.00           H  
HETATM   38  H   UNL     1       9.003  -1.696  -0.502  1.00  0.00           H  
HETATM   39  H   UNL     1       7.544  -2.363   1.100  1.00  0.00           H  
HETATM   40  H   UNL     1       7.361  -0.606   1.329  1.00  0.00           H  
HETATM   41  H   UNL     1       5.199  -2.065   1.006  1.00  0.00           H  
HETATM   42  H   UNL     1       5.670  -2.108  -0.702  1.00  0.00           H  
HETATM   43  H   UNL     1       1.255   0.189  -1.430  1.00  0.00           H  
HETATM   44  H   UNL     1       0.684   1.803   1.097  1.00  0.00           H  
HETATM   45  H   UNL     1       0.992   2.489  -0.516  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.462   2.296   0.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.991   1.367  -1.418  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.062  -1.827   0.694  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.730  -1.323  -0.983  1.00  0.00           H  
HETATM   50  H   UNL     1       1.399  -1.716   0.164  1.00  0.00           H  
HETATM   51  H   UNL     1       0.920  -0.631   1.492  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.278  -2.720   1.620  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.904  -3.397   0.017  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.775  -2.257   0.788  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.969  -2.610  -0.991  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.389  -0.791  -1.715  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.535  -0.024  -3.075  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.366  -1.773  -2.791  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.374   1.581  -1.670  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.822   2.818   0.726  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.231   2.405   0.043  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.524   3.014  -1.018  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   11    3    1    1                                       
CONECT    3    2    4   29                                            
CONECT    4    3   10    5   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    5    7   33   34                                       
CONECT    7    6    8   35   36                                       
CONECT    8    9    7   37   38                                       
CONECT    9   10    8   39   40                                       
CONECT   10    4    9   41   42                                       
CONECT   11   16   12    2   43                                       
CONECT   12   13   11   44   45                                       
CONECT   13   14   12   46   47                                       
CONECT   14   17   15   13                                            
CONECT   15   14   16   48   49                                       
CONECT   16   15   11   50   51                                       
CONECT   17   20   18   18   19                                       
CONECT   17   19   14                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   27   27   21   17                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   52   53   54                                       
CONECT   23   24   21   21   55                                       
CONECT   24   25   26   26   23                                       
CONECT   25   24   56   57   58                                       
CONECT   26   24   24   27   59                                       
CONECT   27   26   28   20   20                                       
CONECT   28   27   60   61   62                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
