COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      47.781 -40.137 -59.535  1.00  0.00           O  
HETATM    2  O   UNL     1      45.283 -39.549 -58.549  1.00  0.00           O  
HETATM    3  O   UNL     1      48.244 -37.475 -59.715  1.00  0.00           O  
HETATM    4  O   UNL     1      45.610 -36.853 -59.531  1.00  0.00           O1+
HETATM    5  O   UNL     1      43.015 -37.710 -60.679  1.00  0.00           O  
HETATM    6  O   UNL     1      44.618 -37.711 -62.949  1.00  0.00           O  
HETATM    7  O   UNL     1      46.320 -36.716 -61.880  1.00  0.00           O  
HETATM    8  O   UNL     1      44.355 -35.214 -62.081  1.00  0.00           O  
HETATM    9  O   UNL     1      45.442 -38.738 -60.807  1.00  0.00           O  
HETATM   10  O   UNL     1      42.679 -32.613 -60.976  1.00  0.00           O  
HETATM   11  O   UNL     1      45.032 -31.505 -60.627  1.00  0.00           O  
HETATM   12  O   UNL     1      45.019 -33.216 -59.432  1.00  0.00           O1+
HETATM   13  O   UNL     1      44.196 -32.609 -63.152  1.00  0.00           O  
HETATM   14  O   UNL     1      44.553 -35.323 -57.550  1.00  0.00           O  
HETATM   15  O   UNL     1      46.415 -29.665 -59.065  1.00  0.00           O  
HETATM   16  O   UNL     1      44.237 -30.607 -58.381  1.00  0.00           O  
HETATM   17  O   UNL     1      47.442 -31.827 -59.647  1.00  0.00           O  
HETATM   18  O   UNL     1      46.882 -31.917 -57.194  1.00  0.00           O  
HETATM   19  O   UNL     1      47.287 -33.151 -54.716  1.00  0.00           O  
HETATM   20  O   UNL     1      48.916 -31.531 -55.796  1.00  0.00           O  
HETATM   21  O   UNL     1      49.031 -34.913 -55.893  1.00  0.00           O  
HETATM   22  O   UNL     1      49.685 -37.887 -56.280  1.00  0.00           O  
HETATM   23  O   UNL     1      47.638 -37.192 -55.033  1.00  0.00           O  
HETATM   24  O   UNL     1      47.161 -38.012 -57.432  1.00  0.00           O  
HETATM   25  O   UNL     1      47.185 -34.934 -56.854  1.00  0.00           O1+
HETATM   26  O   UNL     1      47.516 -35.267 -63.372  1.00  0.00           O  
HETATM   27  O   UNL     1      45.913 -34.095 -61.880  1.00  0.00           O  
HETATM   28  O   UNL     1      49.215 -36.011 -61.783  1.00  0.00           O  
HETATM   29  O   UNL     1      50.048 -34.375 -59.792  1.00  0.00           O  
HETATM   30  O   UNL     1      47.229 -34.694 -59.606  1.00  0.00           O2+
HETATM   31  O   UNL     1      50.703 -36.741 -59.672  1.00  0.00           O  
HETATM   32  O   UNL     1      49.914 -32.313 -60.255  1.00  0.00           O  
HETATM   33 MO   UNL     1      46.739 -38.568 -59.276  1.00  0.00          Mo  
HETATM   34 MO   UNL     1      48.481 -33.368 -59.983  1.00  0.00          Mo  
HETATM   35 MO   UNL     1      44.586 -37.013 -61.290  1.00  0.00          Mo  
HETATM   36 MO   UNL     1      44.339 -33.133 -61.435  1.00  0.00          Mo  
HETATM   37 MO   UNL     1      45.994 -35.057 -58.596  1.00  0.00          Mo  
HETATM   38 MO   UNL     1      45.833 -31.353 -58.833  1.00  0.00          Mo  
HETATM   39 MO   UNL     1      48.211 -33.125 -56.260  1.00  0.00          Mo  
HETATM   40 MO   UNL     1      48.384 -36.702 -56.596  1.00  0.00          Mo  
HETATM   41 MO   UNL     1      47.356 -35.136 -61.587  1.00  0.00          Mo  
HETATM   42 MO   UNL     1      49.068 -35.785 -59.821  1.00  0.00          Mo  
HETATM   43  O   UNL     1      48.095 -33.317 -61.960  1.00  0.00           O  
HETATM   44  O   UNL     1      49.030 -35.983 -58.049  1.00  0.00           O  
HETATM   45  O   UNL     1      48.845 -33.124 -58.196  1.00  0.00           O  
HETATM   46  H   UNL     1      48.619 -39.902 -59.916  1.00  0.00           H  
HETATM   47  H   UNL     1      44.580 -38.952 -58.321  1.00  0.00           H  
HETATM   48  H   UNL     1      42.422 -37.842 -61.409  1.00  0.00           H  
HETATM   49  H   UNL     1      43.825 -37.466 -63.411  1.00  0.00           H  
HETATM   50  H   UNL     1      42.697 -31.705 -60.698  1.00  0.00           H  
HETATM   51  H   UNL     1      44.164 -31.660 -63.192  1.00  0.00           H  
HETATM   52  H   UNL     1      44.456 -34.591 -56.952  1.00  0.00           H  
HETATM   53  H   UNL     1      46.858 -29.371 -58.278  1.00  0.00           H  
HETATM   54  H   UNL     1      44.246 -30.371 -57.461  1.00  0.00           H  
HETATM   55  H   UNL     1      47.744 -33.690 -54.082  1.00  0.00           H  
HETATM   56  H   UNL     1      49.689 -31.670 -55.261  1.00  0.00           H  
HETATM   57  H   UNL     1      49.419 -38.742 -56.597  1.00  0.00           H  
HETATM   58  H   UNL     1      47.247 -38.053 -55.125  1.00  0.00           H  
HETATM   59  H   UNL     1      48.049 -34.551 -63.696  1.00  0.00           H  
HETATM   60  H   UNL     1      51.430 -36.130 -59.692  1.00  0.00           H  
HETATM   61  H   UNL     1      50.669 -32.851 -60.464  1.00  0.00           H  
CONECT    1   33   46                                                 
CONECT    2   33   47                                                 
CONECT    3   33   42                                                 
CONECT    4   33   35   37                                            
CONECT    5   35   48                                                 
CONECT    6   35   49                                                 
CONECT    7   35   41                                                 
CONECT    8   35   36                                                 
CONECT    9   33   35                                                 
CONECT   10   36   50                                                 
CONECT   11   36   38                                                 
CONECT   12   36   37   38                                            
CONECT   13   36   51                                                 
CONECT   14   37   52                                                 
CONECT   15   38   53                                                 
CONECT   16   38   54                                                 
CONECT   17   34   38                                                 
CONECT   18   38   39                                                 
CONECT   19   39   55                                                 
CONECT   20   39   56                                                 
CONECT   21   39   40                                                 
CONECT   22   40   57                                                 
CONECT   23   40   58                                                 
CONECT   24   33   40                                                 
CONECT   25   37   39   40                                            
CONECT   26   41   59                                                 
CONECT   27   36   41                                                 
CONECT   28   41   42                                                 
CONECT   29   34   42                                                 
CONECT   30   34   37   41   42                                       
CONECT   31   42   60                                                 
CONECT   32   34   61                                                 
CONECT   33    1    2    3    4                                       
CONECT   33    9   24                                                 
CONECT   34   17   29   30   32                                       
CONECT   34   43   45                                                 
CONECT   35    4    5    6    7                                       
CONECT   35    8    9                                                 
CONECT   36    8   10   11   12                                       
CONECT   36   13   27                                                 
CONECT   37    4   12   14   25                                       
CONECT   37   30                                                      
CONECT   38   11   12   15   16                                       
CONECT   38   17   18                                                 
CONECT   39   18   19   20   21                                       
CONECT   39   25   45                                                 
CONECT   40   21   22   23   24                                       
CONECT   40   25   44                                                 
CONECT   41    7   26   27   28                                       
CONECT   41   30   43                                                 
CONECT   42    3   28   29   30                                       
CONECT   42   31   44                                                 
CONECT   43   34   41                                                 
CONECT   44   40   42                                                 
CONECT   45   34   39                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
