COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.145  -2.522  -0.302  1.00  0.00           C  
HETATM    2  C   UNL     1       1.486  -1.906   1.098  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.127  -2.978  -1.314  1.00  0.00           C  
HETATM    4  C   UNL     1       0.160  -1.185   1.416  1.00  0.00           C  
HETATM    5  N   UNL     1       0.709  -2.632   3.246  1.00  0.00           N  
HETATM    6  C   UNL     1       1.565  -3.067   2.112  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.451  -1.972   2.595  1.00  0.00           C  
HETATM    8  N   UNL     1       2.617  -0.993   1.280  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.735  -1.231   0.256  1.00  0.00           N  
HETATM   10  S   UNL     1      -1.282   0.177  -0.423  1.00  0.00           S  
HETATM   11  C   UNL     1       0.834  -3.907  -0.958  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.156  -2.472  -2.600  1.00  0.00           C  
HETATM   13  C   UNL     1       1.768  -4.325  -1.887  1.00  0.00           C  
HETATM   14  C   UNL     1       0.779  -2.891  -3.529  1.00  0.00           C  
HETATM   15  C   UNL     1       1.742  -3.816  -3.172  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.978   1.364   1.355  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.865   0.511   0.273  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.221   1.627   1.902  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.995  -0.079  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.350   1.036   1.367  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.237   0.184   0.284  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.447  -0.448  -0.290  1.00  0.00           N1+
HETATM   23  O   UNL     1      -6.347  -1.198  -1.244  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.541  -0.216   0.191  1.00  0.00           O1-
HETATM   25  C   UNL     1       2.913  -0.449   2.608  1.00  0.00           C  
HETATM   26  S   UNL     1       3.562  -0.576  -0.015  1.00  0.00           S  
HETATM   27  C   UNL     1       2.096   0.796   2.834  1.00  0.00           C  
HETATM   28  C   UNL     1       0.905   0.725   3.533  1.00  0.00           C  
HETATM   29  C   UNL     1       2.540   2.012   2.348  1.00  0.00           C  
HETATM   30  C   UNL     1       0.156   1.867   3.740  1.00  0.00           C  
HETATM   31  C   UNL     1       1.790   3.155   2.555  1.00  0.00           C  
HETATM   32  C   UNL     1       0.597   3.082   3.249  1.00  0.00           C  
HETATM   33  C   UNL     1       2.741   0.735  -0.858  1.00  0.00           C  
HETATM   34  C   UNL     1       3.115   2.046  -0.628  1.00  0.00           C  
HETATM   35  C   UNL     1       1.726   0.453  -1.754  1.00  0.00           C  
HETATM   36  C   UNL     1       2.471   3.075  -1.290  1.00  0.00           C  
HETATM   37  C   UNL     1       1.082   1.482  -2.415  1.00  0.00           C  
HETATM   38  C   UNL     1       1.453   2.793  -2.182  1.00  0.00           C  
HETATM   39  O   UNL     1       4.756  -0.023   0.521  1.00  0.00           O  
HETATM   40  O   UNL     1       3.549  -1.690  -0.896  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.416   1.206   0.035  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.500  -0.100  -1.800  1.00  0.00           O  
HETATM   43  N   UNL     1       0.763   3.894  -2.890  1.00  0.00           N1+
HETATM   44  O   UNL     1       1.092   5.049  -2.687  1.00  0.00           O1-
HETATM   45  O   UNL     1      -0.134   3.646  -3.675  1.00  0.00           O  
HETATM   46  H   UNL     1      -2.116  -2.416  -0.786  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.217  -3.258   0.499  1.00  0.00           H  
HETATM   48  H   UNL     1       0.350  -0.153   1.707  1.00  0.00           H  
HETATM   49  H   UNL     1       0.413  -3.422   3.799  1.00  0.00           H  
HETATM   50  H   UNL     1       1.174  -3.984   1.671  1.00  0.00           H  
HETATM   51  H   UNL     1       2.593  -3.212   2.445  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.942  -1.292   3.292  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.157  -2.717   2.230  1.00  0.00           H  
HETATM   54  H   UNL     1       0.854  -4.305   0.045  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.909  -1.750  -2.880  1.00  0.00           H  
HETATM   56  H   UNL     1       2.519  -5.050  -1.609  1.00  0.00           H  
HETATM   57  H   UNL     1       0.756  -2.496  -4.534  1.00  0.00           H  
HETATM   58  H   UNL     1       2.472  -4.142  -3.897  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.309   2.293   2.747  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.907  -0.745  -1.108  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.320   1.241   1.793  1.00  0.00           H  
HETATM   62  H   UNL     1       2.664  -1.190   3.368  1.00  0.00           H  
HETATM   63  H   UNL     1       3.974  -0.205   2.672  1.00  0.00           H  
HETATM   64  H   UNL     1       0.561  -0.224   3.916  1.00  0.00           H  
HETATM   65  H   UNL     1       3.473   2.069   1.806  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.775   1.811   4.285  1.00  0.00           H  
HETATM   67  H   UNL     1       2.137   4.104   2.176  1.00  0.00           H  
HETATM   68  H   UNL     1       0.011   3.975   3.411  1.00  0.00           H  
HETATM   69  H   UNL     1       3.910   2.266   0.068  1.00  0.00           H  
HETATM   70  H   UNL     1       1.437  -0.572  -1.937  1.00  0.00           H  
HETATM   71  H   UNL     1       2.763   4.099  -1.110  1.00  0.00           H  
HETATM   72  H   UNL     1       0.290   1.261  -3.115  1.00  0.00           H  
HETATM   73  H   UNL     1       1.472  -2.293   0.079  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.095   1.822   1.776  1.00  0.00           H  
CONECT    1    3    9   46   47                                       
CONECT    2    4    6    8   73                                       
CONECT    3    1   11   11   12                                       
CONECT    4    2    7    9   48                                       
CONECT    5    6    7   49                                            
CONECT    6    2    5   50   51                                       
CONECT    7    4    5   52   53                                       
CONECT    8    2   25   26                                            
CONECT    9    1    4   10                                            
CONECT   10    9   17   41   41                                       
CONECT   10   42   42                                                 
CONECT   11    3    3   13   54                                       
CONECT   12    3   14   14   55                                       
CONECT   13   11   15   15   56                                       
CONECT   14   12   12   15   57                                       
CONECT   15   13   13   14   58                                       
CONECT   16   17   17   18   74                                       
CONECT   17   10   16   16   19                                       
CONECT   18   16   20   20   59                                       
CONECT   19   17   21   21   60                                       
CONECT   20   18   18   21   61                                       
CONECT   21   19   19   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22                                                      
CONECT   25    8   27   62   63                                       
CONECT   26    8   33   39   39                                       
CONECT   26   40   40                                                 
CONECT   27   25   28   28   29                                       
CONECT   28   27   27   30   64                                       
CONECT   29   27   31   31   65                                       
CONECT   30   28   32   32   66                                       
CONECT   31   29   29   32   67                                       
CONECT   32   30   30   31   68                                       
CONECT   33   26   34   34   35                                       
CONECT   34   33   33   36   69                                       
CONECT   35   33   37   37   70                                       
CONECT   36   34   38   38   71                                       
CONECT   37   35   35   38   72                                       
CONECT   38   36   36   37   43                                       
CONECT   39   26   26                                                 
CONECT   40   26   26                                                 
CONECT   41   10   10                                                 
CONECT   42   10   10                                                 
CONECT   43   38   44   45   45                                       
CONECT   44   43                                                      
CONECT   45   43   43                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73    2                                                      
CONECT   74   16                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
