COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.183   1.841  -0.947  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.539   0.486  -0.624  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.340   2.743  -0.475  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.885   3.474  -1.575  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.388   1.752   0.089  1.00  0.00           C  
HETATM    6  O   UNL     1      -8.710   2.138  -0.290  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.981   0.424  -0.598  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.433  -0.725   0.192  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.729  -1.357   1.172  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.431  -2.336   1.664  1.00  0.00           N  
HETATM   11  C   UNL     1      -8.628  -2.394   1.032  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.762  -3.217   1.135  1.00  0.00           C  
HETATM   13  N   UNL     1      -9.805  -4.251   2.055  1.00  0.00           N  
HETATM   14  N   UNL     1     -10.792  -2.981   0.330  1.00  0.00           N  
HETATM   15  C   UNL     1     -10.761  -1.997  -0.550  1.00  0.00           C  
HETATM   16  N   UNL     1      -9.721  -1.201  -0.683  1.00  0.00           N  
HETATM   17  C   UNL     1      -8.646  -1.357   0.084  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.891   2.226  -0.223  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.514   1.245  -0.881  1.00  0.00           S  
HETATM   20  C   UNL     1      -1.117   1.855   0.101  1.00  0.00           C  
HETATM   21  N   UNL     1       1.289   1.620   0.471  1.00  0.00           N  
HETATM   22  C   UNL     1       0.161   1.127  -0.322  1.00  0.00           C  
HETATM   23  C   UNL     1       2.524   1.118   0.270  1.00  0.00           C  
HETATM   24  C   UNL     1       3.685   1.625   1.086  1.00  0.00           C  
HETATM   25  N   UNL     1       4.908   0.928   0.680  1.00  0.00           N  
HETATM   26  C   UNL     1       6.080   1.220   1.278  1.00  0.00           C  
HETATM   27  O   UNL     1       6.123   2.063   2.155  1.00  0.00           O  
HETATM   28  N   UNL     1      10.533  -1.775  -0.065  1.00  0.00           N  
HETATM   29  C   UNL     1      10.554  -2.399  -1.228  1.00  0.00           C  
HETATM   30  N   UNL     1      11.673  -3.096  -1.586  1.00  0.00           N  
HETATM   31  N   UNL     1       9.494  -2.370  -2.082  1.00  0.00           N  
HETATM   32  C   UNL     1       8.375  -1.683  -1.763  1.00  0.00           C  
HETATM   33  O   UNL     1       7.421  -1.656  -2.520  1.00  0.00           O  
HETATM   34  N   UNL     1       7.267  -0.291  -0.144  1.00  0.00           N  
HETATM   35  C   UNL     1       7.303   0.523   0.873  1.00  0.00           C  
HETATM   36  C   UNL     1       8.578   0.760   1.641  1.00  0.00           C  
HETATM   37  C   UNL     1       8.249   1.030   3.111  1.00  0.00           C  
HETATM   38  C   UNL     1       9.314   1.965   1.051  1.00  0.00           C  
HETATM   39  N   UNL     1       9.427  -0.438   1.538  1.00  0.00           N  
HETATM   40  C   UNL     1       9.468  -1.081   0.321  1.00  0.00           C  
HETATM   41  C   UNL     1       8.340  -0.995  -0.524  1.00  0.00           C  
HETATM   42  O   UNL     1       2.701   0.259  -0.567  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.735  -0.121  -0.554  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.307   1.609  -2.238  1.00  0.00           O  
HETATM   45  H   UNL     1      -5.049   1.943  -2.023  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.999   3.425   0.304  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.617   4.058  -1.335  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.304   1.672   1.173  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.977   3.006   0.042  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.382   0.377  -1.610  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.734  -1.087   1.493  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.593  -4.812   2.117  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.046  -4.414   2.637  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.620  -1.839  -1.185  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.689   3.286  -0.379  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.000   2.030   0.844  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.996   2.926  -0.064  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.307   1.670   1.159  1.00  0.00           H  
HETATM   59  H   UNL     1       1.148   2.307   1.141  1.00  0.00           H  
HETATM   60  H   UNL     1       0.040   0.056  -0.156  1.00  0.00           H  
HETATM   61  H   UNL     1       0.351   1.311  -1.379  1.00  0.00           H  
HETATM   62  H   UNL     1       3.806   2.696   0.920  1.00  0.00           H  
HETATM   63  H   UNL     1       3.495   1.440   2.143  1.00  0.00           H  
HETATM   64  H   UNL     1       4.875   0.256  -0.018  1.00  0.00           H  
HETATM   65  H   UNL     1      11.704  -3.560  -2.437  1.00  0.00           H  
HETATM   66  H   UNL     1      12.437  -3.126  -0.989  1.00  0.00           H  
HETATM   67  H   UNL     1       9.542  -2.846  -2.925  1.00  0.00           H  
HETATM   68  H   UNL     1       7.579   0.254   3.481  1.00  0.00           H  
HETATM   69  H   UNL     1       9.169   1.027   3.696  1.00  0.00           H  
HETATM   70  H   UNL     1       7.764   2.002   3.202  1.00  0.00           H  
HETATM   71  H   UNL     1       8.680   2.848   1.121  1.00  0.00           H  
HETATM   72  H   UNL     1      10.236   2.135   1.607  1.00  0.00           H  
HETATM   73  H   UNL     1       9.552   1.769   0.005  1.00  0.00           H  
HETATM   74  H   UNL     1       9.937  -0.761   2.297  1.00  0.00           H  
CONECT    1   18    3    2   45                                       
CONECT    2    1    7                                                 
CONECT    3    1    4    5   46                                       
CONECT    4    3   47                                                 
CONECT    5    3    7    6   48                                       
CONECT    6    5   49                                                 
CONECT    7    8    2    5   50                                       
CONECT    8    9   17    7                                            
CONECT    9   10   10    8   51                                       
CONECT   10   11    9    9                                            
CONECT   11   12   10   17   17                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12   52   53                                            
CONECT   14   12   12   15                                            
CONECT   15   14   16   16   54                                       
CONECT   16   15   15   17                                            
CONECT   17   11   11   16    8                                       
CONECT   18   19    1   55   56                                       
CONECT   19   20   43   43   18                                       
CONECT   19   44   44                                                 
CONECT   20   22   19   57   58                                       
CONECT   21   23   22   59                                            
CONECT   22   20   21   60   61                                       
CONECT   23   42   42   24   21                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24   64                                            
CONECT   26   35   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   29   29   40                                            
CONECT   29   30   31   28   28                                       
CONECT   30   29   65   66                                            
CONECT   31   29   32   67                                            
CONECT   32   31   33   33   41                                       
CONECT   33   32   32                                                 
CONECT   34   41   35   35                                            
CONECT   35   34   34   36   26                                       
CONECT   36   39   38   35   37                                       
CONECT   37   36   68   69   70                                       
CONECT   38   36   71   72   73                                       
CONECT   39   40   36   74                                            
CONECT   40   28   39   41   41                                       
CONECT   41   32   40   40   34                                       
CONECT   42   23   23                                                 
CONECT   43   19   19                                                 
CONECT   44   19   19                                                 
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   39                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
