COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.298   0.604   3.227  1.00  0.00           C  
HETATM    2  C   UNL     1       0.874   0.707   3.952  1.00  0.00           C  
HETATM    3  C   UNL     1       0.850   0.584   5.328  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.351   0.356   5.982  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.525   0.246   5.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.497   0.377   3.877  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.377   0.234   7.335  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.739   0.008   7.704  1.00  0.00           C  
HETATM    9  N   UNL     1       0.104  -0.726   0.849  1.00  0.00           N  
HETATM   10  S   UNL     1      -0.264   0.762   1.473  1.00  0.00           S  
HETATM   11  O   UNL     1      -1.605   1.023   1.083  1.00  0.00           O  
HETATM   12  O   UNL     1       0.853   1.590   1.181  1.00  0.00           O  
HETATM   13  C   UNL     1       1.335  -0.933   0.070  1.00  0.00           C  
HETATM   14  N   UNL     1       0.984  -1.653  -1.158  1.00  0.00           N  
HETATM   15  C   UNL     1       0.129  -2.844  -1.053  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.155  -2.469  -0.309  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.794  -1.871   1.054  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.013  -3.720  -0.108  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.938  -1.439  -1.127  1.00  0.00           C  
HETATM   20  S   UNL     1       1.534  -1.131  -2.630  1.00  0.00           S  
HETATM   21  O   UNL     1       2.664  -0.315  -2.353  1.00  0.00           O  
HETATM   22  O   UNL     1       1.534  -2.277  -3.470  1.00  0.00           O  
HETATM   23  C   UNL     1       1.952   0.396  -0.276  1.00  0.00           C  
HETATM   24  N   UNL     1       3.184   0.706   0.174  1.00  0.00           N  
HETATM   25  C   UNL     1       0.314  -0.049  -3.296  1.00  0.00           C  
HETATM   26  C   UNL     1       0.526   1.316  -3.291  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.429   2.167  -3.812  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.602   1.649  -4.342  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.812   0.278  -4.346  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.852  -0.568  -3.828  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.543   2.483  -4.856  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.618   1.661  -5.316  1.00  0.00           C  
HETATM   33  O   UNL     1       1.340   1.189  -0.960  1.00  0.00           O  
HETATM   34  O   UNL     1       3.722   1.995  -0.061  1.00  0.00           O  
HETATM   35  H   UNL     1       1.810   0.885   3.443  1.00  0.00           H  
HETATM   36  H   UNL     1       1.767   0.666   5.894  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.462   0.069   5.759  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.412   0.297   3.308  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.810  -0.095   8.786  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.348   0.852   7.379  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.098  -0.903   7.226  1.00  0.00           H  
HETATM   42  H   UNL     1       2.039  -1.525   0.656  1.00  0.00           H  
HETATM   43  H   UNL     1       0.655  -3.624  -0.503  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.118  -3.204  -2.052  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.293  -2.625   1.661  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.701  -1.538   1.558  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.270  -4.145  -1.078  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.454  -4.454   0.473  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.926  -3.453   0.424  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.195  -1.865  -2.097  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.851  -1.171  -0.595  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.326  -0.549  -1.271  1.00  0.00           H  
HETATM   53  H   UNL     1       3.703   0.046   0.659  1.00  0.00           H  
HETATM   54  H   UNL     1       1.439   1.719  -2.878  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.263   3.234  -3.807  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.725  -0.127  -4.758  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.015  -1.636  -3.831  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.401   2.290  -5.739  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.249   0.976  -6.080  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.022   1.090  -4.480  1.00  0.00           H  
HETATM   61  H   UNL     1       4.602   2.008   0.337  1.00  0.00           H  
CONECT    1    2    2    6   10                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4   36                                       
CONECT    4    3    3    5    7                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5   38                                       
CONECT    7    4    8                                                 
CONECT    8    7   39   40   41                                       
CONECT    9   10   13   17                                            
CONECT   10    1    9   11   11                                       
CONECT   10   12   12                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13    9   14   23   42                                       
CONECT   14   13   15   20                                            
CONECT   15   14   16   43   44                                       
CONECT   16   15   17   18   19                                       
CONECT   17    9   16   45   46                                       
CONECT   18   16   47   48   49                                       
CONECT   19   16   50   51   52                                       
CONECT   20   14   21   21   22                                       
CONECT   20   22   25                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   13   24   33   33                                       
CONECT   24   23   34   53                                            
CONECT   25   20   26   26   30                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   56                                       
CONECT   30   25   29   29   57                                       
CONECT   31   28   32                                                 
CONECT   32   31   58   59   60                                       
CONECT   33   23   23                                                 
CONECT   34   24   61                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
