COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.132  -0.603  -1.182  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.850  -0.144  -0.749  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.755   1.276  -0.615  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.745   1.618   0.482  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.294   1.884  -1.941  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.924   1.315  -2.314  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.914   1.657  -1.217  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.375   1.049   0.109  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.177   1.454   1.410  1.00  0.00           S  
HETATM   10  O   UNL     1      -2.930   2.853   1.441  1.00  0.00           O  
HETATM   11  O   UNL     1      -3.470   0.735   2.600  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.752   0.800   0.878  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.627  -0.537   0.760  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.587  -1.257   0.955  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.327  -1.126   0.394  1.00  0.00           C  
HETATM   16  C   UNL     1       0.778  -0.301   0.175  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.195  -2.518   0.270  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.266  -3.322   0.487  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.061  -4.729   0.345  1.00  0.00           C  
HETATM   20  C   UNL     1       1.027  -3.072  -0.073  1.00  0.00           C  
HETATM   21  C   UNL     1       2.123  -2.256  -0.296  1.00  0.00           C  
HETATM   22  O   UNL     1       3.318  -2.804  -0.632  1.00  0.00           O  
HETATM   23  C   UNL     1       3.372  -4.228  -0.738  1.00  0.00           C  
HETATM   24  C   UNL     1       2.002  -0.862  -0.170  1.00  0.00           C  
HETATM   25  C   UNL     1       3.174   0.006  -0.404  1.00  0.00           C  
HETATM   26  S   UNL     1       4.760  -0.218   0.322  1.00  0.00           S  
HETATM   27  C   UNL     1       3.191   1.096  -1.217  1.00  0.00           C  
HETATM   28  C   UNL     1       4.397   1.750  -1.277  1.00  0.00           C  
HETATM   29  C   UNL     1       5.382   1.199  -0.514  1.00  0.00           C  
HETATM   30  C   UNL     1       6.720   1.696  -0.409  1.00  0.00           C  
HETATM   31  C   UNL     1       7.818   2.104  -0.323  1.00  0.00           C  
HETATM   32  C   UNL     1       9.194   2.615  -0.215  1.00  0.00           C  
HETATM   33  O   UNL     1       9.943   1.784   0.674  1.00  0.00           O  
HETATM   34  H   UNL     1      -8.363  -0.171  -2.156  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.122  -1.690  -1.259  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.890  -0.297  -0.461  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.732   1.681  -0.349  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.673   2.701   0.585  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.074   1.184   1.427  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.014   1.640  -2.722  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.222   2.967  -1.838  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.996   0.232  -2.416  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.596   1.748  -3.258  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.938   1.252  -1.483  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.842   2.740  -1.114  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.447  -0.034   0.006  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.007   1.378   0.651  1.00  0.00           H  
HETATM   48  H   UNL     1       0.681   0.770   0.272  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.732  -4.947  -0.672  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.299  -5.058   1.051  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.995  -5.254   0.545  1.00  0.00           H  
HETATM   52  H   UNL     1       1.126  -4.143  -0.168  1.00  0.00           H  
HETATM   53  H   UNL     1       3.104  -4.674   0.220  1.00  0.00           H  
HETATM   54  H   UNL     1       2.671  -4.562  -1.503  1.00  0.00           H  
HETATM   55  H   UNL     1       4.381  -4.534  -1.011  1.00  0.00           H  
HETATM   56  H   UNL     1       2.324   1.422  -1.773  1.00  0.00           H  
HETATM   57  H   UNL     1       4.554   2.630  -1.883  1.00  0.00           H  
HETATM   58  H   UNL     1       9.662   2.609  -1.199  1.00  0.00           H  
HETATM   59  H   UNL     1       9.174   3.634   0.171  1.00  0.00           H  
HETATM   60  H   UNL     1      10.861   2.062   0.793  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    3    1                                                 
CONECT    3    4    5    2   37                                       
CONECT    4    8    3   38   39                                       
CONECT    5    6    3   40   41                                       
CONECT    6    7    5   42   43                                       
CONECT    7    8    6   44   45                                       
CONECT    8    9    7    4   46                                       
CONECT    9   10   10   12   11                                       
CONECT    9   11    8                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12   13    9   47                                            
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   17   17                                       
CONECT   16   24   24   15   48                                       
CONECT   17   15   15   20   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   49   50   51                                       
CONECT   20   21   21   17   52                                       
CONECT   21   24   22   20   20                                       
CONECT   22   21   23                                                 
CONECT   23   22   53   54   55                                       
CONECT   24   25   16   16   21                                       
CONECT   25   27   27   24   26                                       
CONECT   26   29   25                                                 
CONECT   27   28   25   25   56                                       
CONECT   28   27   29   29   57                                       
CONECT   29   28   28   30   26                                       
CONECT   30   29   31   31   31                                       
CONECT   31   30   30   30   32                                       
CONECT   32   31   33   58   59                                       
CONECT   33   32   60                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
