COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.808  -0.513   0.668  1.00  0.00           C  
HETATM    2  C   UNL     1       4.812  -5.808   1.431  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.593  -1.496  -0.237  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.575  -2.646  -0.427  1.00  0.00           C  
HETATM    5  C   UNL     1       6.061  -4.347   0.079  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.212  -2.000  -0.109  1.00  0.00           C  
HETATM    7  C   UNL     1       5.523  -3.274   0.796  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.281  -2.128  -1.316  1.00  0.00           C  
HETATM    9  C   UNL     1       5.495  -0.868   1.421  1.00  0.00           C  
HETATM   10  C   UNL     1       4.071  -1.129   1.899  1.00  0.00           C  
HETATM   11  C   UNL     1       4.602  -3.534   1.801  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.521   3.530   1.212  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.494   2.722   0.694  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.813   1.807  -0.326  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.383   1.404   1.169  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.194   1.765   2.538  1.00  0.00           C  
HETATM   17  C   UNL     1       2.270   0.399  -0.961  1.00  0.00           C  
HETATM   18  C   UNL     1       3.054   0.359   0.352  1.00  0.00           C  
HETATM   19  C   UNL     1       4.442   0.988   0.138  1.00  0.00           C  
HETATM   20  C   UNL     1       5.531   0.444   0.615  1.00  0.00           C  
HETATM   21  N   UNL     1       4.297  -4.801   2.106  1.00  0.00           N  
HETATM   22  N   UNL     1       4.466  -7.094   1.772  1.00  0.00           N  
HETATM   23  N   UNL     1       5.682  -5.600   0.403  1.00  0.00           N  
HETATM   24  N   UNL     1       5.916  -1.948   0.521  1.00  0.00           N  
HETATM   25  N   UNL     1       3.967  -2.485   2.443  1.00  0.00           N  
HETATM   26  N   UNL     1     -10.679   4.836   0.782  1.00  0.00           N  
HETATM   27  N   UNL     1      -8.506   2.903  -0.215  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.315   0.852   0.508  1.00  0.00           N  
HETATM   29  N   UNL     1     -10.247   0.972   2.082  1.00  0.00           N  
HETATM   30  N   UNL     1     -11.340   3.008   2.119  1.00  0.00           N  
HETATM   31  O   UNL     1      -9.773  -1.963   0.420  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.848  -3.712   0.485  1.00  0.00           O  
HETATM   33  O   UNL     1       6.858  -4.153  -0.823  1.00  0.00           O  
HETATM   34  O   UNL     1      -6.454  -0.613   0.178  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.986  -1.632  -0.973  1.00  0.00           O  
HETATM   36  O   UNL     1      -1.494  -0.871  -1.329  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.149  -0.887  -3.235  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.344  -3.124  -2.385  1.00  0.00           O  
HETATM   39  O   UNL     1       0.371  -0.979  -3.026  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.518   1.307  -2.431  1.00  0.00           O  
HETATM   41  O   UNL     1       0.942  -0.078  -0.739  1.00  0.00           O  
HETATM   42  O   UNL     1       3.193  -0.991   0.779  1.00  0.00           O  
HETATM   43  O   UNL     1       8.086   3.872  -1.071  1.00  0.00           O  
HETATM   44  O   UNL     1       5.861   5.131  -0.158  1.00  0.00           O  
HETATM   45  O   UNL     1       6.670   3.831   2.084  1.00  0.00           O  
HETATM   46  P   UNL     1      -2.752  -1.613  -2.007  1.00  0.00           P  
HETATM   47  P   UNL     1      -0.163  -0.173  -1.906  1.00  0.00           P  
HETATM   48  S   UNL     1       4.555   2.487  -0.779  1.00  0.00           S  
HETATM   49  S   UNL     1       7.083   1.225   0.340  1.00  0.00           S  
HETATM   50 MO   UNL     1       6.513   3.541   0.114  1.00  0.00          Mo  
HETATM   51  H   UNL     1      -7.865  -0.823   1.711  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.840  -1.033  -1.193  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.595  -3.008  -1.455  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.764  -2.487   0.757  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.204  -3.176  -1.606  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.683  -1.550  -2.148  1.00  0.00           H  
HETATM   57  H   UNL     1       6.171  -0.801   2.270  1.00  0.00           H  
HETATM   58  H   UNL     1       3.800  -0.404   2.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.965   1.673  -0.981  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.879   1.382   3.280  1.00  0.00           H  
HETATM   61  H   UNL     1       2.231   1.424  -1.330  1.00  0.00           H  
HETATM   62  H   UNL     1       2.764  -0.234  -1.699  1.00  0.00           H  
HETATM   63  H   UNL     1       2.515   0.925   1.112  1.00  0.00           H  
HETATM   64  H   UNL     1       3.849  -7.253   2.504  1.00  0.00           H  
HETATM   65  H   UNL     1       4.839  -7.843   1.281  1.00  0.00           H  
HETATM   66  H   UNL     1       6.028  -6.358  -0.095  1.00  0.00           H  
HETATM   67  H   UNL     1       6.458  -1.754  -0.259  1.00  0.00           H  
HETATM   68  H   UNL     1       3.455  -2.648   3.251  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.077   5.203   0.116  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.392   5.383   1.147  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.298  -2.581  -0.106  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.718  -4.117   0.367  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.073  -3.659  -1.627  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.874   1.892  -1.748  1.00  0.00           H  
HETATM   75  H   UNL     1       6.446   4.728   2.369  1.00  0.00           H  
HETATM   76  H   UNL     1       8.100   4.753  -1.470  1.00  0.00           H  
CONECT    1    3   28   34   51                                       
CONECT    2   21   21   22   23                                       
CONECT    3    1    4   31   52                                       
CONECT    4    3    6   32   53                                       
CONECT    5    7   23   33   33                                       
CONECT    6    4    8   34   54                                       
CONECT    7    5   11   11   24                                       
CONECT    8    6   35   55   56                                       
CONECT    9   10   20   24   57                                       
CONECT   10    9   25   42   58                                       
CONECT   11    7    7   21   25                                       
CONECT   12   13   13   26   30                                       
CONECT   13   12   12   15   27                                       
CONECT   14   27   27   28   59                                       
CONECT   15   13   28   29   29                                       
CONECT   16   29   30   30   60                                       
CONECT   17   18   41   61   62                                       
CONECT   18   17   19   42   63                                       
CONECT   19   18   20   20   48                                       
CONECT   20    9   19   19   49                                       
CONECT   21    2    2   11                                            
CONECT   22    2   64   65                                            
CONECT   23    2    5   66                                            
CONECT   24    7    9   67                                            
CONECT   25   10   11   68                                            
CONECT   26   12   69   70                                            
CONECT   27   13   14   14                                            
CONECT   28    1   14   15                                            
CONECT   29   15   15   16                                            
CONECT   30   12   16   16                                            
CONECT   31    3   71                                                 
CONECT   32    4   72                                                 
CONECT   33    5    5                                                 
CONECT   34    1    6                                                 
CONECT   35    8   46                                                 
CONECT   36   46   47                                                 
CONECT   37   46   46                                                 
CONECT   38   46   73                                                 
CONECT   39   47   47                                                 
CONECT   40   47   74                                                 
CONECT   41   17   47                                                 
CONECT   42   10   18                                                 
CONECT   43   50   76                                                 
CONECT   44   50   50                                                 
CONECT   45   50   75                                                 
CONECT   46   35   36   37   37                                       
CONECT   46   38                                                      
CONECT   47   36   39   39   40                                       
CONECT   47   41                                                      
CONECT   48   19   50                                                 
CONECT   49   20   50                                                 
CONECT   50   43   44   44   45                                       
CONECT   50   48   49                                                 
CONECT   51    1                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   45                                                      
CONECT   76   43                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
