COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.253  -0.464   0.124  1.00  0.00           C  
HETATM    2  C   UNL     1       4.176  -1.596   0.579  1.00  0.00           C  
HETATM    3  C   UNL     1       3.984  -2.809  -0.334  1.00  0.00           C  
HETATM    4  C   UNL     1       2.530  -3.277  -0.262  1.00  0.00           C  
HETATM    5  C   UNL     1       1.606  -2.145  -0.717  1.00  0.00           C  
HETATM    6  C   UNL     1       1.798  -0.932   0.196  1.00  0.00           C  
HETATM    7  C   UNL     1       0.507   0.986   0.829  1.00  0.00           C  
HETATM    8  C   UNL     1       2.216   2.575   0.274  1.00  0.00           C  
HETATM    9  C   UNL     1       3.401   3.339   0.869  1.00  0.00           C  
HETATM   10  C   UNL     1       1.184   3.570  -0.263  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.025   2.799  -0.802  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.594   1.917   0.314  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.660   0.664   0.624  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.803  -0.156   0.085  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.473  -1.626   1.080  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.394  -2.007   2.209  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.576   0.664  -0.950  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.705   1.120  -0.210  1.00  0.00           N  
HETATM   19  N   UNL     1      -4.699  -0.527   1.183  1.00  0.00           N  
HETATM   20  O   UNL     1       3.570  -0.102  -1.221  1.00  0.00           O  
HETATM   21  O   UNL     1       5.535  -1.159   0.512  1.00  0.00           O  
HETATM   22  O   UNL     1       4.847  -3.866   0.090  1.00  0.00           O  
HETATM   23  O   UNL     1       2.351  -4.409  -1.115  1.00  0.00           O  
HETATM   24  O   UNL     1       0.248  -2.582  -0.649  1.00  0.00           O  
HETATM   25  O   UNL     1       0.935   0.125  -0.228  1.00  0.00           O  
HETATM   26  O   UNL     1       1.614   1.765   1.286  1.00  0.00           O  
HETATM   27  O   UNL     1       4.415   2.413   1.264  1.00  0.00           O  
HETATM   28  O   UNL     1       1.767   4.341  -1.315  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.025   3.722  -1.238  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.427  -2.308   0.078  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.600   0.915   1.809  1.00  0.00           O  
HETATM   32  S   UNL     1      -5.952  -0.324  -1.599  1.00  0.00           S  
HETATM   33  H   UNL     1       3.389   0.400   0.775  1.00  0.00           H  
HETATM   34  H   UNL     1       3.934  -1.872   1.605  1.00  0.00           H  
HETATM   35  H   UNL     1       4.227  -2.532  -1.361  1.00  0.00           H  
HETATM   36  H   UNL     1       2.287  -3.553   0.764  1.00  0.00           H  
HETATM   37  H   UNL     1       1.849  -1.868  -1.743  1.00  0.00           H  
HETATM   38  H   UNL     1       1.556  -1.209   1.223  1.00  0.00           H  
HETATM   39  H   UNL     1       0.120   0.386   1.652  1.00  0.00           H  
HETATM   40  H   UNL     1       2.565   1.939  -0.540  1.00  0.00           H  
HETATM   41  H   UNL     1       3.804   4.022   0.122  1.00  0.00           H  
HETATM   42  H   UNL     1       3.068   3.906   1.738  1.00  0.00           H  
HETATM   43  H   UNL     1       0.865   4.233   0.541  1.00  0.00           H  
HETATM   44  H   UNL     1       0.285   2.174  -1.640  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.950   2.546   1.130  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.412  -1.059  -0.386  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.935  -2.916   1.946  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.810  -2.180   3.113  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.106  -1.200   2.386  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.967   1.566  -0.480  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.909   0.939  -1.767  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.753   0.919  -1.158  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.736   0.019   1.984  1.00  0.00           H  
HETATM   54  H   UNL     1       4.479   0.205  -1.342  1.00  0.00           H  
HETATM   55  H   UNL     1       6.177  -1.827   0.786  1.00  0.00           H  
HETATM   56  H   UNL     1       4.778  -4.668  -0.445  1.00  0.00           H  
HETATM   57  H   UNL     1       2.906  -5.167  -0.885  1.00  0.00           H  
HETATM   58  H   UNL     1       0.053  -3.349  -1.205  1.00  0.00           H  
HETATM   59  H   UNL     1       5.198   2.828   1.650  1.00  0.00           H  
HETATM   60  H   UNL     1       2.542   4.852  -1.046  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.730   4.318  -1.941  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.532   0.509  -2.482  1.00  0.00           H  
CONECT    1    6    2   20   33                                       
CONECT    2    3    1   21   34                                       
CONECT    3    4   22    2   35                                       
CONECT    4   23    5    3   36                                       
CONECT    5    4   24    6   37                                       
CONECT    6    5   25    1   38                                       
CONECT    7   26   25   12   39                                       
CONECT    8   26    9   10   40                                       
CONECT    9   27    8   41   42                                       
CONECT   10    8   11   28   43                                       
CONECT   11   12   10   29   44                                       
CONECT   12    7   18   11   45                                       
CONECT   13   31   31   14   18                                       
CONECT   14   19   13   17   46                                       
CONECT   15   16   30   30   19                                       
CONECT   16   15   47   48   49                                       
CONECT   17   14   32   50   51                                       
CONECT   18   13   12   52                                            
CONECT   19   15   14   53                                            
CONECT   20    1   54                                                 
CONECT   21    2   55                                                 
CONECT   22    3   56                                                 
CONECT   23    4   57                                                 
CONECT   24    5   58                                                 
CONECT   25    6    7                                                 
CONECT   26    7    8                                                 
CONECT   27    9   59                                                 
CONECT   28   10   60                                                 
CONECT   29   11   61                                                 
CONECT   30   15   15                                                 
CONECT   31   13   13                                                 
CONECT   32   17   62                                                 
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
