COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.757   1.503  -1.958  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.812   0.127  -2.340  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.479  -0.790  -1.392  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.109  -0.375  -0.123  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.516  -2.148  -1.693  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.883  -2.561  -2.936  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.898  -3.970  -3.173  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.176  -3.079  -0.725  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.803  -2.657   0.538  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.772  -1.308   0.839  1.00  0.00           C  
HETATM   11  S   UNL     1      -2.294  -0.778   2.450  1.00  0.00           S  
HETATM   12  O   UNL     1      -2.868   0.509   2.635  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.541  -1.872   3.322  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.653  -0.559   2.427  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.083   0.379   1.556  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.748   1.563   1.283  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.182   2.491   0.421  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.594   3.741  -0.041  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.841   4.419   0.320  1.00  0.00           C  
HETATM   20  C   UNL     1       0.350   4.218  -0.874  1.00  0.00           C  
HETATM   21  O   UNL     1       0.299   5.288  -1.451  1.00  0.00           O  
HETATM   22  N   UNL     1       1.357   3.330  -0.974  1.00  0.00           N  
HETATM   23  C   UNL     1       2.566   3.493  -1.786  1.00  0.00           C  
HETATM   24  C   UNL     1       1.055   2.230  -0.170  1.00  0.00           C  
HETATM   25  C   UNL     1       1.720   1.044   0.104  1.00  0.00           C  
HETATM   26  C   UNL     1       1.156   0.122   0.969  1.00  0.00           C  
HETATM   27  O   UNL     1       1.810  -1.039   1.244  1.00  0.00           O  
HETATM   28  C   UNL     1       3.067  -1.196   0.750  1.00  0.00           C  
HETATM   29  C   UNL     1       4.103  -0.407   1.227  1.00  0.00           C  
HETATM   30  C   UNL     1       5.380  -0.567   0.726  1.00  0.00           C  
HETATM   31  C   UNL     1       5.627  -1.516  -0.254  1.00  0.00           C  
HETATM   32  O   UNL     1       6.884  -1.674  -0.747  1.00  0.00           O  
HETATM   33  C   UNL     1       7.065  -2.671  -1.755  1.00  0.00           C  
HETATM   34  C   UNL     1       4.591  -2.306  -0.731  1.00  0.00           C  
HETATM   35  C   UNL     1       3.315  -2.150  -0.226  1.00  0.00           C  
HETATM   36  H   UNL     1      -4.443   1.677  -1.128  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.743   1.755  -1.650  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.045   2.127  -2.804  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.084   0.679   0.114  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.598  -4.447  -2.487  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.208  -4.162  -4.201  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.899  -4.376  -3.013  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.204  -4.134  -0.956  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.538  -3.384   1.292  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.086  -1.081   3.016  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.706   1.764   1.741  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.676   5.037   1.203  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.165   5.049  -0.509  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.610   3.677   0.534  1.00  0.00           H  
HETATM   50  H   UNL     1       2.528   4.450  -2.306  1.00  0.00           H  
HETATM   51  H   UNL     1       3.444   3.464  -1.141  1.00  0.00           H  
HETATM   52  H   UNL     1       2.624   2.685  -2.516  1.00  0.00           H  
HETATM   53  H   UNL     1       2.677   0.842  -0.353  1.00  0.00           H  
HETATM   54  H   UNL     1       3.911   0.333   1.990  1.00  0.00           H  
HETATM   55  H   UNL     1       6.187   0.048   1.097  1.00  0.00           H  
HETATM   56  H   UNL     1       6.782  -3.646  -1.357  1.00  0.00           H  
HETATM   57  H   UNL     1       6.440  -2.435  -2.616  1.00  0.00           H  
HETATM   58  H   UNL     1       8.111  -2.693  -2.060  1.00  0.00           H  
HETATM   59  H   UNL     1       4.783  -3.048  -1.492  1.00  0.00           H  
HETATM   60  H   UNL     1       2.508  -2.764  -0.598  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1                                                 
CONECT    3    5    5    4    2                                       
CONECT    4   10   10    3   39                                       
CONECT    5    8    6    3    3                                       
CONECT    6    7    5                                                 
CONECT    7    6   40   41   42                                       
CONECT    8    9    9    5   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10    9   11    4    4                                       
CONECT   11   12   12   10   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   45                                            
CONECT   15   14   16   16   26                                       
CONECT   16   15   15   17   46                                       
CONECT   17   16   24   24   18                                       
CONECT   18   17   19   20                                            
CONECT   19   18   47   48   49                                       
CONECT   20   18   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   24   20   23                                            
CONECT   23   22   50   51   52                                       
CONECT   24   17   17   25   22                                       
CONECT   25   26   26   24   53                                       
CONECT   26   15   27   25   25                                       
CONECT   27   28   26                                                 
CONECT   28   35   27   29   29                                       
CONECT   29   28   28   30   54                                       
CONECT   30   31   31   29   55                                       
CONECT   31   34   32   30   30                                       
CONECT   32   31   33                                                 
CONECT   33   32   56   57   58                                       
CONECT   34   35   35   31   59                                       
CONECT   35   34   34   28   60                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
