COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.877   3.680   1.206  1.00  0.00           O  
HETATM    2  C   UNL     1       8.715   3.177   0.762  1.00  0.00           C  
HETATM    3  O   UNL     1       7.945   3.882   0.154  1.00  0.00           O  
HETATM    4  C   UNL     1       8.370   1.733   1.022  1.00  0.00           C  
HETATM    5  C   UNL     1       7.001   1.418   0.414  1.00  0.00           C  
HETATM    6  C   UNL     1       6.656  -0.025   0.674  1.00  0.00           C  
HETATM    7  O   UNL     1       7.429  -0.734   1.285  1.00  0.00           O  
HETATM    8  C   UNL     1       5.428  -0.556   0.205  1.00  0.00           C  
HETATM    9  S   UNL     1       4.223   0.354  -0.689  1.00  0.00           S  
HETATM   10  C   UNL     1       5.029  -1.826   0.378  1.00  0.00           C  
HETATM   11  C   UNL     1       3.777  -2.145  -0.167  1.00  0.00           C  
HETATM   12  C   UNL     1       3.171  -1.053  -0.804  1.00  0.00           C  
HETATM   13  C   UNL     1       1.916  -1.201  -1.402  1.00  0.00           C  
HETATM   14  C   UNL     1       3.093  -3.385  -0.149  1.00  0.00           C  
HETATM   15  C   UNL     1       1.861  -3.506  -0.743  1.00  0.00           C  
HETATM   16  O   UNL     1       1.214  -4.702  -0.718  1.00  0.00           O  
HETATM   17  C   UNL     1       1.875  -5.784  -0.059  1.00  0.00           C  
HETATM   18  C   UNL     1       1.268  -2.411  -1.370  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.085  -2.557  -2.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.178  -2.357  -0.966  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.551  -2.506  -1.623  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.628  -2.309  -0.587  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.068  -0.999  -0.272  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.071  -0.841   0.695  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.614  -1.964   1.325  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.165  -3.227   0.998  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.695  -4.315   1.613  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.714  -4.079   2.587  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.172  -3.387   0.032  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.635   0.224  -0.804  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.240   1.316  -0.310  1.00  0.00           C  
HETATM   32  S   UNL     1      -5.433   0.870   0.897  1.00  0.00           S  
HETATM   33  C   UNL     1      -3.953   2.645  -0.707  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.107   2.856  -1.551  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.697   3.795  -0.081  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.200   5.112  -0.682  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.945   6.263  -0.056  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.787   6.052   0.785  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.673   7.522  -0.432  1.00  0.00           O  
HETATM   40  H   UNL     1      10.054   4.611   1.016  1.00  0.00           H  
HETATM   41  H   UNL     1       9.125   1.092   0.567  1.00  0.00           H  
HETATM   42  H   UNL     1       8.340   1.554   2.096  1.00  0.00           H  
HETATM   43  H   UNL     1       6.246   2.060   0.869  1.00  0.00           H  
HETATM   44  H   UNL     1       7.030   1.597  -0.660  1.00  0.00           H  
HETATM   45  H   UNL     1       5.632  -2.553   0.901  1.00  0.00           H  
HETATM   46  H   UNL     1       1.452  -0.357  -1.891  1.00  0.00           H  
HETATM   47  H   UNL     1       3.543  -4.240   0.335  1.00  0.00           H  
HETATM   48  H   UNL     1       1.252  -6.677  -0.112  1.00  0.00           H  
HETATM   49  H   UNL     1       2.830  -5.978  -0.547  1.00  0.00           H  
HETATM   50  H   UNL     1       2.047  -5.523   0.985  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.194  -1.809  -2.803  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.175  -3.554  -2.450  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.068  -3.106  -0.181  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.088  -1.361  -0.533  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.661  -1.757  -2.408  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.641  -3.502  -2.056  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.383  -1.842   2.074  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.555  -3.569   2.117  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.050  -5.030   3.000  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.313  -3.456   3.388  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.825  -4.379  -0.219  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.867   0.283  -1.560  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.764   3.687  -0.276  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.523   3.799   0.995  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.134   5.220  -0.487  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.375   5.109  -1.758  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.177   8.227  -0.002  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   10   10    9                                       
CONECT    9    8   12                                                 
CONECT   10    8    8   11   45                                       
CONECT   11   10   14   14   12                                       
CONECT   12   11    9   13   13                                       
CONECT   13   12   12   18   46                                       
CONECT   14   11   11   15   47                                       
CONECT   15   14   16   18   18                                       
CONECT   16   17   15                                                 
CONECT   17   16   48   49   50                                       
CONECT   18   15   15   13   19                                       
CONECT   19   20   18   51   52                                       
CONECT   20   21   19   53   54                                       
CONECT   21   22   20   55   56                                       
CONECT   22   29   29   23   21                                       
CONECT   23   24   24   22   30                                       
CONECT   24   25   32   23   23                                       
CONECT   25   26   26   24   57                                       
CONECT   26   27   25   25   29                                       
CONECT   27   28   26                                                 
CONECT   28   27   58   59   60                                       
CONECT   29   26   22   22   61                                       
CONECT   30   23   31   31   62                                       
CONECT   31   32   33   30   30                                       
CONECT   32   24   31                                                 
CONECT   33   31   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   63   64                                       
CONECT   36   35   37   65   66                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   67                                                 
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
