COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.054   2.058   3.214  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.197   0.132   0.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.434   1.204   1.515  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.740   0.909   2.254  1.00  0.00           C  
HETATM    5  C   UNL     1       4.526  -0.795   0.673  1.00  0.00           C  
HETATM    6  C   UNL     1       6.969  -1.250   0.651  1.00  0.00           C  
HETATM    7  C   UNL     1       8.361  -0.763   0.276  1.00  0.00           C  
HETATM    8  C   UNL     1       7.501   1.520  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.223   0.277  -0.646  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.595  -0.392   3.046  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.044   1.354  -1.668  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.473  -0.057  -1.518  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.056  -2.464  -1.189  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.108  -2.644  -0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.106  -3.638   0.620  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.608  -1.037  -1.215  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.191  -3.478  -0.914  1.00  0.00           C  
HETATM   18  C   UNL     1       2.196  -0.324   0.461  1.00  0.00           C  
HETATM   19  C   UNL     1       5.867  -0.412   0.016  1.00  0.00           C  
HETATM   20  C   UNL     1       8.522   0.709   0.658  1.00  0.00           C  
HETATM   21  C   UNL     1       6.088   1.082   0.215  1.00  0.00           C  
HETATM   22  C   UNL     1       7.779   1.389  -1.630  1.00  0.00           C  
HETATM   23  C   UNL     1       7.836  -0.052  -2.105  1.00  0.00           C  
HETATM   24  C   UNL     1       8.656  -0.958  -1.203  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.720  -3.309   0.971  1.00  0.00           N  
HETATM   26  N   UNL     1      -2.503  -0.078  -0.421  1.00  0.00           N  
HETATM   27  N   UNL     1       1.145   0.293  -0.115  1.00  0.00           N  
HETATM   28  O   UNL     1      -1.962  -2.247   0.007  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.073   1.349  -2.660  1.00  0.00           O  
HETATM   30  O   UNL     1       3.443  -0.097   0.005  1.00  0.00           O  
HETATM   31  O   UNL     1       2.019  -1.085   1.391  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.896   0.713  -1.729  1.00  0.00           O  
HETATM   33  H   UNL     1      -2.157   2.985   2.650  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.985   1.847   3.741  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.243   2.160   3.936  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.285  -0.855   0.901  1.00  0.00           H  
HETATM   37  H   UNL     1       0.394   1.201   2.224  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.499   2.182   1.038  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.551   0.807   1.533  1.00  0.00           H  
HETATM   40  H   UNL     1       4.374  -1.871   0.585  1.00  0.00           H  
HETATM   41  H   UNL     1       4.544  -0.516   1.726  1.00  0.00           H  
HETATM   42  H   UNL     1       6.854  -2.293   0.332  1.00  0.00           H  
HETATM   43  H   UNL     1       6.858  -1.220   1.741  1.00  0.00           H  
HETATM   44  H   UNL     1       9.097  -1.344   0.856  1.00  0.00           H  
HETATM   45  H   UNL     1       7.616   2.579   0.142  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.547  -0.639   3.517  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.305  -1.198   2.371  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.831  -0.268   3.813  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.250   2.037  -1.971  1.00  0.00           H  
HETATM   50  S   UNL     1      -4.736   1.898  -0.082  1.00  0.00           S  
HETATM   51  H   UNL     1      -2.979  -0.349  -2.445  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.555  -2.695  -2.129  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.793  -2.949   1.110  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.044  -0.799  -0.245  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.373  -0.957  -1.987  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.158  -3.071  -1.211  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.997  -4.426  -1.417  1.00  0.00           H  
HETATM   58  H   UNL     1       5.780  -0.643  -1.045  1.00  0.00           H  
HETATM   59  H   UNL     1       8.338   0.834   1.724  1.00  0.00           H  
HETATM   60  H   UNL     1       9.529   1.044   0.415  1.00  0.00           H  
HETATM   61  H   UNL     1       5.885   1.337   1.262  1.00  0.00           H  
HETATM   62  H   UNL     1       5.373   1.636  -0.405  1.00  0.00           H  
HETATM   63  H   UNL     1       6.995   1.920  -2.187  1.00  0.00           H  
HETATM   64  H   UNL     1       8.732   1.883  -1.861  1.00  0.00           H  
HETATM   65  H   UNL     1       6.838  -0.454  -2.261  1.00  0.00           H  
HETATM   66  H   UNL     1       8.315  -0.056  -3.106  1.00  0.00           H  
HETATM   67  H   UNL     1       9.724  -0.772  -1.382  1.00  0.00           H  
HETATM   68  H   UNL     1       8.461  -2.005  -1.471  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.783  -0.347   0.468  1.00  0.00           H  
HETATM   70  H   UNL     1       1.278   0.843  -0.903  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.813   0.762  -2.455  1.00  0.00           H  
HETATM   72  O   UNL     1      -5.825   1.068   0.298  1.00  0.00           O  
HETATM   73  O   UNL     1      -3.696   2.207   0.836  1.00  0.00           O  
HETATM   74  O   UNL     1      -5.378   3.243  -0.388  1.00  0.00           O  
HETATM   75  H   UNL     1      -5.333  -4.665   0.905  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.299  -3.540   1.814  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.796   3.663   0.376  1.00  0.00           H  
CONECT    1    4   33   34   35                                       
CONECT    2   27    9    3   36                                       
CONECT    3    2    4   37   38                                       
CONECT    4    3    1   10   39                                       
CONECT    5   19   30   40   41                                       
CONECT    6    7   19   42   43                                       
CONECT    7   20   24    6   44                                       
CONECT    8   20   22   21   45                                       
CONECT    9   32   32    2   26                                       
CONECT   10    4   46   47   48                                       
CONECT   11   12   29   49   50                                       
CONECT   12   26   16   11   51                                       
CONECT   13   17   14   16   52                                       
CONECT   14   25   13   28   28                                       
CONECT   15   17   25   53   75                                       
CONECT   16   13   12   54   55                                       
CONECT   17   15   13   56   57                                       
CONECT   18   30   27   31   31                                       
CONECT   19    6   21    5   58                                       
CONECT   20    7    8   59   60                                       
CONECT   21    8   19   61   62                                       
CONECT   22    8   23   63   64                                       
CONECT   23   24   22   65   66                                       
CONECT   24    7   23   67   68                                       
CONECT   25   15   14   76                                            
CONECT   26    9   12   69                                            
CONECT   27   18    2   70                                            
CONECT   28   14   14                                                 
CONECT   29   11   71                                                 
CONECT   30    5   18                                                 
CONECT   31   18   18                                                 
CONECT   32    9    9                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11   72   72   73                                       
CONECT   50   73   74                                                 
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   29                                                      
CONECT   72   50   50                                                 
CONECT   73   50   50                                                 
CONECT   74   50   77                                                 
CONECT   75   15                                                      
CONECT   76   25                                                      
CONECT   77   74                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
