COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.001  -0.010  -3.027  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.096   0.920  -2.520  1.00  0.00           C  
HETATM    3  C   UNL     1       1.351   0.476  -2.520  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.257  -1.421  -2.514  1.00  0.00           C  
HETATM    5  C   UNL     1       0.002   0.010   3.027  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.349  -0.478   2.520  1.00  0.00           C  
HETATM    7  C   UNL     1       0.259   1.421   2.513  1.00  0.00           C  
HETATM    8  C   UNL     1       1.098  -0.920   2.521  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.002  -0.014  -4.496  1.00  0.00           N  
HETATM   10  N   UNL     1       0.003   0.015   4.496  1.00  0.00           N  
HETATM   11  O   UNL     1       0.261   1.428   1.077  1.00  0.00           O2+
HETATM   12  O   UNL     1       3.077   1.105   1.145  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.183   3.619  -1.194  1.00  0.00           O1-
HETATM   14  O   UNL     1      -3.930   1.560  -1.184  1.00  0.00           O1-
HETATM   15  O   UNL     1       2.047   3.705   1.170  1.00  0.00           O1-
HETATM   16  O   UNL     1      -0.611   4.188   1.171  1.00  0.00           O1-
HETATM   17  O   UNL     1       1.106  -0.934   1.084  1.00  0.00           O2+
HETATM   18  O   UNL     1      -0.259  -1.429  -1.077  1.00  0.00           O2+
HETATM   19  O   UNL     1      -3.319  -2.618   1.192  1.00  0.00           O1-
HETATM   20  O   UNL     1      -0.587  -3.211   1.161  1.00  0.00           O  
HETATM   21  O   UNL     1       4.228   0.073  -1.188  1.00  0.00           O1-
HETATM   22  O   UNL     1      -1.363  -0.486   1.084  1.00  0.00           O2+
HETATM   23  O   UNL     1       2.490  -2.119  -1.144  1.00  0.00           O  
HETATM   24  O   UNL     1       0.611  -4.189  -1.170  1.00  0.00           O1-
HETATM   25  O   UNL     1      -2.049  -3.704  -1.174  1.00  0.00           O1-
HETATM   26  O   UNL     1       3.931  -1.558   1.188  1.00  0.00           O1-
HETATM   27  O   UNL     1       2.180  -3.620   1.197  1.00  0.00           O1-
HETATM   28  O   UNL     1      -1.105   0.933  -1.084  1.00  0.00           O2+
HETATM   29  O   UNL     1       1.364   0.484  -1.084  1.00  0.00           O2+
HETATM   30  O   UNL     1      -4.227  -0.074   1.188  1.00  0.00           O1-
HETATM   31  O   UNL     1      -2.489   2.117   1.148  1.00  0.00           O  
HETATM   32  O   UNL     1       3.317   2.619  -1.196  1.00  0.00           O1-
HETATM   33  O   UNL     1       0.584   3.210  -1.162  1.00  0.00           O  
HETATM   34  O   UNL     1      -3.077  -1.102  -1.147  1.00  0.00           O  
HETATM   35 MN   UNL     1       0.001   0.000   0.000  1.00  0.00          Mn  
HETATM   36 MO   UNL     1      -2.724   0.496   0.001  1.00  0.00          Mo  
HETATM   37 MO   UNL     1       1.792   2.112  -0.009  1.00  0.00          Mo  
HETATM   38 MO   UNL     1      -0.933   2.608  -0.008  1.00  0.00          Mo  
HETATM   39 MO   UNL     1      -1.793  -2.112   0.006  1.00  0.00          Mo  
HETATM   40 MO   UNL     1       2.725  -0.496   0.000  1.00  0.00          Mo  
HETATM   41 MO   UNL     1       0.932  -2.608   0.009  1.00  0.00          Mo  
HETATM   42  H   UNL     1      -0.915   1.930  -2.890  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.064   0.572  -2.884  1.00  0.00           H  
HETATM   44  H   UNL     1       2.135  -0.190  -2.885  1.00  0.00           H  
HETATM   45  H   UNL     1       1.536   1.485  -2.890  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.223  -1.771  -2.880  1.00  0.00           H  
HETATM   47  H   UNL     1       0.528  -2.086  -2.878  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.530  -1.489   2.889  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.134   0.184   2.886  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.524   2.087   2.878  1.00  0.00           H  
HETATM   51  H   UNL     1       1.226   1.769   2.878  1.00  0.00           H  
HETATM   52  H   UNL     1       2.066  -0.572   2.885  1.00  0.00           H  
HETATM   53  H   UNL     1       0.917  -1.930   2.892  1.00  0.00           H  
HETATM   54  H   UNL     1       0.716  -0.624  -4.857  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.909  -0.271  -4.856  1.00  0.00           H  
HETATM   56  H   UNL     1       0.889   0.335   4.856  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.757   0.573   4.856  1.00  0.00           H  
CONECT    1    2    3    4    9                                       
CONECT    2    1   28   42   43                                       
CONECT    3    1   29   44   45                                       
CONECT    4    1   18   46   47                                       
CONECT    5    6    7    8   10                                       
CONECT    6    5   22   48   49                                       
CONECT    7    5   11   50   51                                       
CONECT    8    5   17   52   53                                       
CONECT    9    1   54   55                                            
CONECT   10    5   56   57                                            
CONECT   11    7   35   37   38                                       
CONECT   12   37   40                                                 
CONECT   13   38                                                      
CONECT   14   36                                                      
CONECT   15   37                                                      
CONECT   16   38                                                      
CONECT   17    8   35   41   40                                       
CONECT   18    4   35   39   41                                       
CONECT   19   39                                                      
CONECT   20   39   41                                                 
CONECT   21   40                                                      
CONECT   22    6   35   36   39                                       
CONECT   23   40   41                                                 
CONECT   24   41                                                      
CONECT   25   39                                                      
CONECT   26   40                                                      
CONECT   27   41                                                      
CONECT   28    2   35   36   38                                       
CONECT   29    3   35   37   40                                       
CONECT   30   36                                                      
CONECT   31   36   38                                                 
CONECT   32   37                                                      
CONECT   33   37   38                                                 
CONECT   34   36   39                                                 
CONECT   35   11   17   18   22                                       
CONECT   35   28   29                                                 
CONECT   36   14   22   28   30                                       
CONECT   36   31   34                                                 
CONECT   37   11   12   15   29                                       
CONECT   37   32   33                                                 
CONECT   38   11   13   16   28                                       
CONECT   38   31   33                                                 
CONECT   39   18   19   20   22                                       
CONECT   39   25   34                                                 
CONECT   40   12   21   23   26                                       
CONECT   40   29   17                                                 
CONECT   41   17   18   20   23                                       
CONECT   41   24   27                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
