COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.134   0.593   0.348  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.321   1.706   0.282  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.986   1.572  -0.072  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.463   0.318  -0.360  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.269  -0.799  -0.295  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.611  -0.668   0.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.480  -1.866   0.135  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.238  -2.857   1.073  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.079  -3.975   1.112  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.113  -4.078   0.242  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.354  -3.109  -0.678  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.576  -2.012  -0.750  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.812  -1.149  -1.579  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.014   0.178  -0.749  1.00  0.00           C  
HETATM   15  C   UNL     1       0.857   0.209   0.509  1.00  0.00           C  
HETATM   16  C   UNL     1       2.293  -0.047   0.132  1.00  0.00           C  
HETATM   17  C   UNL     1       3.122   1.012  -0.189  1.00  0.00           C  
HETATM   18  C   UNL     1       4.439   0.780  -0.535  1.00  0.00           C  
HETATM   19  C   UNL     1       4.931  -0.519  -0.560  1.00  0.00           C  
HETATM   20  C   UNL     1       4.095  -1.581  -0.237  1.00  0.00           C  
HETATM   21  C   UNL     1       2.781  -1.341   0.113  1.00  0.00           C  
HETATM   22  N   UNL     1       6.262  -0.757  -0.910  1.00  0.00           N  
HETATM   23  S   UNL     1       7.472  -0.436   0.173  1.00  0.00           S  
HETATM   24  O   UNL     1       8.661  -0.812  -0.509  1.00  0.00           O  
HETATM   25  O   UNL     1       7.247   0.912   0.562  1.00  0.00           O  
HETATM   26  C   UNL     1       7.150  -1.561   1.559  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.188   2.670  -0.137  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.893   3.181  -1.438  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.884   3.068   0.594  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.315   2.922   1.116  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.020   3.746   1.659  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.889   3.921  -0.677  1.00  0.00           C  
HETATM   33  H   UNL     1      -5.173   0.698   0.624  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.862  -1.773  -0.519  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.412  -2.769   1.763  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.904  -4.757   1.836  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.755  -4.945   0.281  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.101  -3.206  -1.289  1.00  0.00           H  
HETATM   39  H   UNL     1       0.133  -0.768  -1.269  1.00  0.00           H  
HETATM   40  H   UNL     1       0.267   1.001  -1.406  1.00  0.00           H  
HETATM   41  H   UNL     1       0.775   1.188   0.983  1.00  0.00           H  
HETATM   42  H   UNL     1       0.520  -0.560   1.203  1.00  0.00           H  
HETATM   43  H   UNL     1       2.740   2.022  -0.169  1.00  0.00           H  
HETATM   44  H   UNL     1       5.086   1.608  -0.785  1.00  0.00           H  
HETATM   45  H   UNL     1       4.474  -2.592  -0.256  1.00  0.00           H  
HETATM   46  H   UNL     1       2.131  -2.166   0.364  1.00  0.00           H  
HETATM   47  H   UNL     1       6.477  -1.111  -1.787  1.00  0.00           H  
HETATM   48  H   UNL     1       6.134  -1.407   1.923  1.00  0.00           H  
HETATM   49  H   UNL     1       7.265  -2.592   1.225  1.00  0.00           H  
HETATM   50  H   UNL     1       7.858  -1.359   2.363  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.240   2.484  -1.963  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.820   3.304  -1.999  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.394   4.146  -1.345  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.311   2.315   2.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.722   3.908   1.341  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.931   2.439   0.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.032   3.954   1.247  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.489   4.680   1.968  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.922   3.086   2.521  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.505   3.438  -1.435  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.297   4.907  -0.451  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.870   4.025  -1.048  1.00  0.00           H  
CONECT    1    6    6    2   33                                       
CONECT    2    3    3    1   29                                       
CONECT    3    4   27    2    2                                       
CONECT    4   14    5    5    3                                       
CONECT    5    4    4    6   34                                       
CONECT    6    5    7    1    1                                       
CONECT    7    6   12    8    8                                       
CONECT    8    7    7    9   35                                       
CONECT    9    8   10   10   36                                       
CONECT   10   11    9    9   37                                       
CONECT   11   12   10   38                                            
CONECT   12   13   13    7   11                                       
CONECT   13   12   12                                                 
CONECT   14   15    4   39   40                                       
CONECT   15   16   14   41   42                                       
CONECT   16   17   17   21   15                                       
CONECT   17   18   16   16   43                                       
CONECT   18   19   19   17   44                                       
CONECT   19   22   18   18   20                                       
CONECT   20   19   21   21   45                                       
CONECT   21   20   20   16   46                                       
CONECT   22   23   19   47                                            
CONECT   23   24   24   26   25                                       
CONECT   23   25   22                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   48   49   50                                       
CONECT   27   28    3                                                 
CONECT   28   27   51   52   53                                       
CONECT   29    2   32   31   30                                       
CONECT   30   29   54   55   56                                       
CONECT   31   29   57   58   59                                       
CONECT   32   29   60   61   62                                       
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
