COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.091   0.896  -0.932  1.00  0.00           C  
HETATM    2  C   UNL     1       4.297   0.961   0.007  1.00  0.00           C  
HETATM    3  C   UNL     1       3.978   1.886   1.183  1.00  0.00           C  
HETATM    4  C   UNL     1       3.785   3.340   0.692  1.00  0.00           C  
HETATM    5  C   UNL     1       4.411   4.149   1.849  1.00  0.00           C  
HETATM    6  C   UNL     1       5.156   1.964   2.130  1.00  0.00           C  
HETATM    7  C   UNL     1       3.455   0.082  -2.175  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.457  -2.303   0.763  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.541  -4.484   1.321  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.295  -4.226   2.809  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.310  -2.720   3.074  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.714   0.366  -0.464  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.841   0.343   0.275  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.174   0.728   0.602  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.367   1.255  -0.152  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.674   2.603  -0.105  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.766   3.088  -0.800  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.153   0.393  -0.894  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.453  -0.111   0.108  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.358  -1.629  -0.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.442  -3.810   0.497  1.00  0.00           C  
HETATM   22  C   UNL     1       0.702   0.546  -0.602  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.211  -2.046   2.251  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.551   2.225  -1.543  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.247   0.877  -1.585  1.00  0.00           C  
HETATM   26  N   UNL     1       1.968   0.257  -0.241  1.00  0.00           N  
HETATM   27  N   UNL     1       5.380   3.245   2.480  1.00  0.00           N  
HETATM   28  O   UNL     1       0.492   1.336  -1.498  1.00  0.00           O  
HETATM   29  O   UNL     1       5.802   1.013   2.514  1.00  0.00           O  
HETATM   30  O   UNL     1       4.622   0.638  -2.784  1.00  0.00           O  
HETATM   31  O   UNL     1      -4.000   0.782  -0.251  1.00  0.00           O  
HETATM   32  O   UNL     1      -2.811  -0.073   1.416  1.00  0.00           O  
HETATM   33  H   UNL     1       2.807   1.906  -1.230  1.00  0.00           H  
HETATM   34  H   UNL     1       4.520  -0.038   0.381  1.00  0.00           H  
HETATM   35  H   UNL     1       5.159   1.348  -0.536  1.00  0.00           H  
HETATM   36  H   UNL     1       3.088   1.540   1.709  1.00  0.00           H  
HETATM   37  H   UNL     1       4.324   3.511  -0.240  1.00  0.00           H  
HETATM   38  H   UNL     1       2.727   3.576   0.578  1.00  0.00           H  
HETATM   39  H   UNL     1       4.917   5.033   1.461  1.00  0.00           H  
HETATM   40  H   UNL     1       2.627   0.109  -2.883  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.427  -1.894   0.479  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.530  -5.558   1.131  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.511  -4.075   1.037  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.078  -4.707   3.395  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.326  -4.636   3.093  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.280  -2.311   2.790  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.135  -2.536   4.134  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.738   0.698  -1.375  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.006   1.338   1.490  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.359  -0.304   0.900  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.060   3.276   0.475  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.005   4.140  -0.764  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.911  -0.659  -0.934  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.418   0.139   1.169  1.00  0.00           H  
HETATM   55  H   UNL     1       0.617  -1.973   0.285  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.483  -1.886  -1.112  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.618  -3.994  -0.563  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.473  -4.219   0.781  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.242  -2.455   2.535  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.222  -0.972   2.440  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.404   2.604  -2.086  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.861   0.204  -2.165  1.00  0.00           H  
HETATM   63  H   UNL     1       2.135  -0.375   0.476  1.00  0.00           H  
HETATM   64  S   UNL     1       3.784  -1.637  -1.696  1.00  0.00           S  
HETATM   65  O   UNL     1       4.254  -2.306  -2.980  1.00  0.00           O  
HETATM   66  O   UNL     1       4.910  -1.707  -0.832  1.00  0.00           O  
HETATM   67  O   UNL     1       2.572  -2.306  -1.376  1.00  0.00           O  
HETATM   68  H   UNL     1       3.643   4.439   2.565  1.00  0.00           H  
HETATM   69  H   UNL     1       6.090   3.533   3.075  1.00  0.00           H  
HETATM   70  H   UNL     1       5.400   0.646  -2.209  1.00  0.00           H  
HETATM   71  H   UNL     1       4.470  -3.243  -2.880  1.00  0.00           H  
CONECT    1    2    7   26   33                                       
CONECT    2    3    1   34   35                                       
CONECT    3    6    2    4   36                                       
CONECT    4    5    3   37   38                                       
CONECT    5   27    4   39   68                                       
CONECT    6   27   29   29    3                                       
CONECT    7   30    1   40   64                                       
CONECT    8   20   23   21   41                                       
CONECT    9   21   10   42   43                                       
CONECT   10   11    9   44   45                                       
CONECT   11   23   10   46   47                                       
CONECT   12   13   19   48                                            
CONECT   13   32   32   31   12                                       
CONECT   14   15   31   49   50                                       
CONECT   15   16   16   18   14                                       
CONECT   16   17   15   15   51                                       
CONECT   17   24   24   16   52                                       
CONECT   18   25   25   15   53                                       
CONECT   19   22   12   20   54                                       
CONECT   20   19    8   55   56                                       
CONECT   21    8    9   57   58                                       
CONECT   22   26   28   28   19                                       
CONECT   23    8   11   59   60                                       
CONECT   24   17   17   25   61                                       
CONECT   25   24   18   18   62                                       
CONECT   26    1   22   63                                            
CONECT   27    6    5   69                                            
CONECT   28   22   22                                                 
CONECT   29    6    6                                                 
CONECT   30    7   70                                                 
CONECT   31   14   13                                                 
CONECT   32   13   13                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64    7   65   66   66                                       
CONECT   64   67   67                                                 
CONECT   65   64   71                                                 
CONECT   66   64   64                                                 
CONECT   67   64   64                                                 
CONECT   68    5                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   65                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
