COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.414   0.653  -0.783  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.712   0.994  -0.410  1.00  0.00           C  
HETATM    3  S   UNL     1      -5.623   2.492  -0.571  1.00  0.00           S  
HETATM    4  C   UNL     1      -6.979   1.778   0.180  1.00  0.00           C  
HETATM    5  N   UNL     1      -6.749   0.561   0.504  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.536   0.052   0.218  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.021  -1.237   0.459  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.749  -1.553   0.087  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.938  -0.615  -0.535  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.298  -1.048  -1.014  1.00  0.00           S  
HETATM   11  O   UNL     1      -1.282  -2.463  -1.152  1.00  0.00           O  
HETATM   12  O   UNL     1      -0.939  -0.161  -2.064  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.304  -0.691   0.262  1.00  0.00           N  
HETATM   14  C   UNL     1       0.310   0.629   0.375  1.00  0.00           C  
HETATM   15  C   UNL     1       1.716   0.543  -0.177  1.00  0.00           C  
HETATM   16  O   UNL     1       2.006   1.178  -1.176  1.00  0.00           O  
HETATM   17  C   UNL     1       0.405   1.070   1.831  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.468   0.307   2.791  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.522  -1.201   2.635  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.035  -1.689   1.286  1.00  0.00           C  
HETATM   21  C   UNL     1       1.403  -2.174   1.288  1.00  0.00           C  
HETATM   22  C   UNL     1       1.729  -2.834  -0.054  1.00  0.00           C  
HETATM   23  O   UNL     1       3.044  -3.391  -0.004  1.00  0.00           O  
HETATM   24  C   UNL     1       3.449  -4.035  -1.213  1.00  0.00           C  
HETATM   25  C   UNL     1       2.394  -1.056   1.582  1.00  0.00           C  
HETATM   26  N   UNL     1       2.646  -0.214   0.416  1.00  0.00           N  
HETATM   27  C   UNL     1       4.014  -0.173  -0.137  1.00  0.00           C  
HETATM   28  C   UNL     1       3.993  -0.656  -1.588  1.00  0.00           C  
HETATM   29  C   UNL     1       4.535   1.240  -0.086  1.00  0.00           C  
HETATM   30  N   UNL     1       3.684   2.248  -0.080  1.00  0.00           N  
HETATM   31  C   UNL     1       4.093   3.501  -0.036  1.00  0.00           C  
HETATM   32  C   UNL     1       5.442   3.803   0.007  1.00  0.00           C  
HETATM   33  C   UNL     1       6.366   2.770   0.003  1.00  0.00           C  
HETATM   34  C   UNL     1       5.897   1.465  -0.039  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.783   1.382  -1.271  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.913   2.288   0.361  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.638  -1.980   0.942  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.367  -2.545   0.279  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.265   1.360  -0.204  1.00  0.00           H  
HETATM   40  H   UNL     1       1.446   1.058   2.160  1.00  0.00           H  
HETATM   41  H   UNL     1       0.102   2.136   1.873  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.139   0.530   3.819  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.497   0.694   2.713  1.00  0.00           H  
HETATM   44  H   UNL     1       0.087  -1.661   3.420  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.556  -1.536   2.780  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.658  -2.565   1.030  1.00  0.00           H  
HETATM   47  H   UNL     1       1.507  -2.941   2.072  1.00  0.00           H  
HETATM   48  H   UNL     1       1.007  -3.626  -0.253  1.00  0.00           H  
HETATM   49  H   UNL     1       1.679  -2.089  -0.847  1.00  0.00           H  
HETATM   50  H   UNL     1       4.458  -4.430  -1.094  1.00  0.00           H  
HETATM   51  H   UNL     1       2.763  -4.852  -1.437  1.00  0.00           H  
HETATM   52  H   UNL     1       3.435  -3.314  -2.031  1.00  0.00           H  
HETATM   53  H   UNL     1       2.052  -0.467   2.429  1.00  0.00           H  
HETATM   54  H   UNL     1       3.352  -1.516   1.883  1.00  0.00           H  
HETATM   55  H   UNL     1       4.664  -0.821   0.452  1.00  0.00           H  
HETATM   56  H   UNL     1       5.003  -0.626  -1.996  1.00  0.00           H  
HETATM   57  H   UNL     1       3.616  -1.679  -1.625  1.00  0.00           H  
HETATM   58  H   UNL     1       3.343  -0.009  -2.177  1.00  0.00           H  
HETATM   59  H   UNL     1       3.367   4.300  -0.033  1.00  0.00           H  
HETATM   60  H   UNL     1       5.771   4.831   0.040  1.00  0.00           H  
HETATM   61  H   UNL     1       7.425   2.976   0.036  1.00  0.00           H  
HETATM   62  H   UNL     1       6.589   0.636  -0.044  1.00  0.00           H  
CONECT    1    2    2    9   35                                       
CONECT    2    6    3    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    5    3   36                                       
CONECT    5    4    4    6                                            
CONECT    6    5    7    7    2                                       
CONECT    7    6    6    8   37                                       
CONECT    8    7    9    9   38                                       
CONECT    9    8    8    1   10                                       
CONECT   10    9   13   12   12                                       
CONECT   10   11   11                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   20   14                                            
CONECT   14   15   13   17   39                                       
CONECT   15   26   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   40   41                                       
CONECT   18   19   17   42   43                                       
CONECT   19   20   18   44   45                                       
CONECT   20   21   13   19   46                                       
CONECT   21   25   22   20   47                                       
CONECT   22   23   21   48   49                                       
CONECT   23   24   22                                                 
CONECT   24   23   50   51   52                                       
CONECT   25   26   21   53   54                                       
CONECT   26   27   25   15                                            
CONECT   27   29   28   26   55                                       
CONECT   28   27   56   57   58                                       
CONECT   29   34   34   30   27                                       
CONECT   30   31   31   29                                            
CONECT   31   32   30   30   59                                       
CONECT   32   33   33   31   60                                       
CONECT   33   32   32   34   61                                       
CONECT   34   33   29   29   62                                       
CONECT   35    1                                                      
CONECT   36    4                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
