COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.112   2.411   1.162  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.496   1.037   1.086  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.197   0.761   0.765  1.00  0.00           N  
HETATM    4  C   UNL     1       0.788   1.707   0.453  1.00  0.00           C  
HETATM    5  C   UNL     1       1.859   1.907   1.313  1.00  0.00           C  
HETATM    6  C   UNL     1       2.828   2.841   1.003  1.00  0.00           C  
HETATM    7  C   UNL     1       2.733   3.576  -0.165  1.00  0.00           C  
HETATM    8  C   UNL     1       3.792   4.594  -0.501  1.00  0.00           C  
HETATM    9  C   UNL     1       4.902   3.925  -1.314  1.00  0.00           C  
HETATM   10  C   UNL     1       1.667   3.379  -1.024  1.00  0.00           C  
HETATM   11  C   UNL     1       0.698   2.443  -0.721  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.134  -0.128   1.328  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.581  -0.284   1.720  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.427  -0.179   0.523  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.810  -0.558   0.823  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.742  -0.033  -0.274  1.00  0.00           C  
HETATM   17  S   UNL     1      -6.273  -0.808  -1.851  1.00  0.00           S  
HETATM   18  C   UNL     1      -4.484  -0.485  -1.910  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.862  -0.947  -0.588  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.208  -1.169   1.148  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.019  -0.601   0.802  1.00  0.00           C  
HETATM   22  C   UNL     1       1.241  -1.321   0.519  1.00  0.00           C  
HETATM   23  C   UNL     1       1.418  -2.627   0.980  1.00  0.00           C  
HETATM   24  C   UNL     1       2.593  -3.296   0.715  1.00  0.00           C  
HETATM   25  C   UNL     1       2.253  -0.699  -0.215  1.00  0.00           C  
HETATM   26  C   UNL     1       3.425  -1.373  -0.478  1.00  0.00           C  
HETATM   27  C   UNL     1       3.602  -2.672  -0.011  1.00  0.00           C  
HETATM   28  S   UNL     1       5.104  -3.530  -0.347  1.00  0.00           S  
HETATM   29  C   UNL     1       6.063  -2.318  -1.296  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.517   2.682   0.188  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.912   2.409   1.902  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.350   3.134   1.453  1.00  0.00           H  
HETATM   33  H   UNL     1       1.934   1.333   2.225  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.132   2.286  -1.395  1.00  0.00           H  
HETATM   35  H   UNL     1       3.661   2.997   1.672  1.00  0.00           H  
HETATM   36  H   UNL     1       3.348   5.400  -1.085  1.00  0.00           H  
HETATM   37  H   UNL     1       4.211   5.000   0.420  1.00  0.00           H  
HETATM   38  H   UNL     1       1.596   3.954  -1.935  1.00  0.00           H  
HETATM   39  H   UNL     1       5.345   3.119  -0.730  1.00  0.00           H  
HETATM   40  H   UNL     1       4.483   3.519  -2.235  1.00  0.00           H  
HETATM   41  H   UNL     1       5.668   4.661  -1.558  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.728  -1.259   2.184  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.852   0.500   2.427  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.401  -2.225   1.266  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.885  -1.644   0.873  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.102  -0.131   1.782  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.783  -0.795  -0.623  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.072  -2.007  -0.440  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.773  -0.291  -0.032  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.642   1.049  -0.353  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.039  -1.038  -2.737  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.309   0.583  -2.043  1.00  0.00           H  
HETATM   53  H   UNL     1       0.636  -3.112   1.545  1.00  0.00           H  
HETATM   54  H   UNL     1       2.116   0.309  -0.578  1.00  0.00           H  
HETATM   55  H   UNL     1       2.731  -4.306   1.072  1.00  0.00           H  
HETATM   56  H   UNL     1       4.208  -0.893  -1.046  1.00  0.00           H  
HETATM   57  H   UNL     1       5.519  -2.054  -2.203  1.00  0.00           H  
HETATM   58  H   UNL     1       6.218  -1.424  -0.692  1.00  0.00           H  
HETATM   59  H   UNL     1       7.029  -2.747  -1.564  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3   12   12                                       
CONECT    3    2    4   21                                            
CONECT    4    3    5   11   11                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8   10   10                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   39   40   41                                       
CONECT   10    7    7   11   38                                       
CONECT   11    4    4   10   34                                       
CONECT   12    2    2   13   20                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   19                                            
CONECT   15   14   16   45   46                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   51   52                                       
CONECT   19   14   18   47   48                                       
CONECT   20   12   21   21   44                                       
CONECT   21    3   20   20   22                                       
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   24   53                                       
CONECT   24   23   23   27   55                                       
CONECT   25   22   22   26   54                                       
CONECT   26   25   27   27   56                                       
CONECT   27   24   26   26   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   57   58   59                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34   11                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   20                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
