COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.650  -0.489  -4.872  1.00  0.00           C  
HETATM    2  C   UNL     1       4.195  -0.832  -5.198  1.00  0.00           C  
HETATM    3  C   UNL     1       3.265   0.127  -4.453  1.00  0.00           C  
HETATM    4  C   UNL     1       1.811  -0.215  -4.780  1.00  0.00           C  
HETATM    5  S   UNL     1       0.708   0.923  -3.897  1.00  0.00           S  
HETATM    6  O   UNL     1       0.711   0.674  -2.498  1.00  0.00           O  
HETATM    7  O   UNL     1       0.777   2.238  -4.431  1.00  0.00           O  
HETATM    8  N   UNL     1      -0.800   0.418  -4.356  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.236  -0.948  -4.064  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.484  -0.908  -3.179  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.163  -0.196  -1.890  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.334   1.172  -1.796  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.040   1.827  -0.616  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.574   1.109   0.475  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.284   1.751   1.638  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.403  -0.263   0.379  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.703  -0.914  -0.802  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.557  -1.660  -5.353  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.408  -2.856  -5.436  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.008  -0.965  -6.409  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.833   0.755   2.558  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.489   1.415   3.895  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.006   0.349   4.880  1.00  0.00           C  
HETATM   24  C   UNL     1       0.337   1.008   6.217  1.00  0.00           C  
HETATM   25  C   UNL     1       0.820  -0.057   7.202  1.00  0.00           C  
HETATM   26  C   UNL     1       1.165   0.600   8.542  1.00  0.00           C  
HETATM   27  C   UNL     1       1.537  -0.484   9.554  1.00  0.00           C  
HETATM   28  N   UNL     1       0.396  -1.381   9.762  1.00  0.00           N  
HETATM   29  C   UNL     1       0.158  -2.085   8.498  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.289  -1.088   7.427  1.00  0.00           C  
HETATM   31  H   UNL     1       6.312  -1.173  -5.402  1.00  0.00           H  
HETATM   32  H   UNL     1       5.861   0.533  -5.182  1.00  0.00           H  
HETATM   33  H   UNL     1       5.814  -0.585  -3.798  1.00  0.00           H  
HETATM   34  H   UNL     1       3.985  -1.856  -4.888  1.00  0.00           H  
HETATM   35  H   UNL     1       4.032  -0.737  -6.272  1.00  0.00           H  
HETATM   36  H   UNL     1       3.429   0.032  -3.380  1.00  0.00           H  
HETATM   37  H   UNL     1       3.476   1.151  -4.764  1.00  0.00           H  
HETATM   38  H   UNL     1       1.647  -0.119  -5.854  1.00  0.00           H  
HETATM   39  H   UNL     1       1.600  -1.238  -4.470  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.395   1.029  -4.819  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.439  -1.480  -3.544  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.281  -0.376  -3.699  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.808  -1.925  -2.962  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.697   1.730  -2.647  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.173   2.896  -0.544  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.040  -0.824   1.227  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.571  -1.983  -0.877  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.214  -1.421  -7.236  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.621   0.017   2.709  1.00  0.00           H  
HETATM   50  H   UNL     1       0.052   0.264   2.156  1.00  0.00           H  
HETATM   51  H   UNL     1       0.298   2.153   3.744  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.375   1.906   4.296  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.794  -0.389   5.031  1.00  0.00           H  
HETATM   54  H   UNL     1       0.879  -0.142   4.479  1.00  0.00           H  
HETATM   55  H   UNL     1       1.125   1.746   6.066  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.548   1.500   6.619  1.00  0.00           H  
HETATM   57  H   UNL     1       1.704  -0.552   6.800  1.00  0.00           H  
HETATM   58  H   UNL     1       2.009   1.278   8.408  1.00  0.00           H  
HETATM   59  H   UNL     1       0.303   1.158   8.906  1.00  0.00           H  
HETATM   60  H   UNL     1       2.385  -1.056   9.177  1.00  0.00           H  
HETATM   61  H   UNL     1       1.809  -0.018  10.502  1.00  0.00           H  
HETATM   62  H   UNL     1       0.692  -2.077  10.430  1.00  0.00           H  
HETATM   63  H   UNL     1       1.078  -2.573   8.176  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.618  -2.836   8.642  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.196  -0.581   7.758  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.487  -1.619   6.496  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3    5   38   39                                       
CONECT    5    4    6    6    7                                       
CONECT    5    7    8                                                 
CONECT    6    5    5                                                 
CONECT    7    5    5                                                 
CONECT    8    5    9   40                                            
CONECT    9    8   10   18   41                                       
CONECT   10    9   11   42   43                                       
CONECT   11   10   12   12   17                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   21                                                 
CONECT   16   14   17   17   46                                       
CONECT   17   11   16   16   47                                       
CONECT   18    9   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   48                                                 
CONECT   21   15   22   49   50                                       
CONECT   22   21   23   51   52                                       
CONECT   23   22   24   53   54                                       
CONECT   24   23   25   55   56                                       
CONECT   25   24   26   30   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   28   60   61                                       
CONECT   28   27   29   62                                            
CONECT   29   28   30   63   64                                       
CONECT   30   25   29   65   66                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
