COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.695   0.844  -0.488  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.061   0.482   0.099  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.488  -1.384   0.581  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.648  -0.761  -0.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.529   0.765  -0.147  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.163   1.180  -0.703  1.00  0.00           C  
HETATM    7  O   UNL     1       0.337   0.289   0.329  1.00  0.00           O  
HETATM    8  O   UNL     1      -2.248  -0.933   0.032  1.00  0.00           O  
HETATM    9  O   UNL     1      -3.574  -0.992   1.952  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.888  -1.165   0.381  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.725  -3.600   0.167  1.00  0.00           O  
HETATM   12  O   UNL     1      -7.816  -2.518   0.277  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.284  -2.243  -1.678  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.564   1.353  -0.936  1.00  0.00           O  
HETATM   15  O   UNL     1      -6.151   2.501   1.038  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.062   3.735  -0.650  1.00  0.00           O  
HETATM   17  O   UNL     1      -7.242   2.995  -1.156  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.012   2.596  -0.590  1.00  0.00           O  
HETATM   19  S   UNL     1      -6.517  -2.381  -0.283  1.00  0.00           S  
HETATM   20  S   UNL     1      -6.104   2.661  -0.373  1.00  0.00           S  
HETATM   21  C   UNL     1       3.255  -0.526  -3.322  1.00  0.00           C  
HETATM   22  C   UNL     1       3.157   0.175  -1.966  1.00  0.00           C  
HETATM   23  C   UNL     1       1.659   0.570  -0.134  1.00  0.00           C  
HETATM   24  C   UNL     1       2.678   0.037   0.877  1.00  0.00           C  
HETATM   25  C   UNL     1       4.093   0.289   0.345  1.00  0.00           C  
HETATM   26  C   UNL     1       4.236  -0.374  -1.028  1.00  0.00           C  
HETATM   27  O   UNL     1       2.328   0.068  -4.234  1.00  0.00           O  
HETATM   28  O   UNL     1       1.867  -0.065  -1.398  1.00  0.00           O  
HETATM   29  O   UNL     1       2.480  -1.366   1.060  1.00  0.00           O  
HETATM   30  O   UNL     1       0.163  -1.401   1.856  1.00  0.00           O  
HETATM   31  O   UNL     1       1.673  -3.126   2.404  1.00  0.00           O  
HETATM   32  O   UNL     1       1.940  -0.803   3.285  1.00  0.00           O  
HETATM   33  O   UNL     1       4.315   1.696   0.225  1.00  0.00           O  
HETATM   34  O   UNL     1       4.963   3.726   1.232  1.00  0.00           O  
HETATM   35  O   UNL     1       4.464   1.679   2.577  1.00  0.00           O  
HETATM   36  O   UNL     1       6.472   1.919   1.366  1.00  0.00           O  
HETATM   37  O   UNL     1       5.527  -0.084  -1.566  1.00  0.00           O  
HETATM   38  O   UNL     1       6.201  -2.334  -2.264  1.00  0.00           O  
HETATM   39  O   UNL     1       7.800  -0.670  -1.788  1.00  0.00           O  
HETATM   40  O   UNL     1       6.345  -1.656  -0.011  1.00  0.00           O  
HETATM   41  S   UNL     1       1.599  -1.716   2.251  1.00  0.00           S  
HETATM   42  S   UNL     1       5.004   2.319   1.429  1.00  0.00           S  
HETATM   43  S   UNL     1       6.555  -1.183  -1.335  1.00  0.00           S  
HETATM   44  H   UNL     1      -0.616   0.442  -1.498  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.590   1.929  -0.520  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.107   0.806   1.138  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.544  -2.470   0.509  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.607  -1.094  -1.239  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.621   1.101   0.885  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.092   0.887  -1.751  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.869  -1.350   2.508  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.165   2.929  -0.920  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.045  -4.435  -0.202  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.308   4.613  -0.330  1.00  0.00           H  
HETATM   55  H   UNL     1       4.267  -0.421  -3.713  1.00  0.00           H  
HETATM   56  H   UNL     1       3.019  -1.584  -3.203  1.00  0.00           H  
HETATM   57  H   UNL     1       3.301   1.247  -2.099  1.00  0.00           H  
HETATM   58  H   UNL     1       1.785   1.647  -0.244  1.00  0.00           H  
HETATM   59  H   UNL     1       2.549   0.551   1.829  1.00  0.00           H  
HETATM   60  H   UNL     1       4.822  -0.138   1.033  1.00  0.00           H  
HETATM   61  H   UNL     1       4.116  -1.452  -0.927  1.00  0.00           H  
HETATM   62  H   UNL     1       2.336  -0.328  -5.116  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.486  -1.589   2.548  1.00  0.00           H  
HETATM   64  H   UNL     1       7.006   2.266   2.093  1.00  0.00           H  
HETATM   65  H   UNL     1       6.797  -3.092  -2.197  1.00  0.00           H  
CONECT    1    7    2   44   45                                       
CONECT    2    8    1    6   46                                       
CONECT    3    8    9    4   47                                       
CONECT    4    3    5   10   48                                       
CONECT    5    6    4   14   49                                       
CONECT    6    2   18    5   50                                       
CONECT    7   23    1                                                 
CONECT    8    2    3                                                 
CONECT    9    3   51                                                 
CONECT   10    4   19                                                 
CONECT   11   19   53                                                 
CONECT   12   19   19                                                 
CONECT   13   19   19                                                 
CONECT   14    5   20                                                 
CONECT   15   20   20                                                 
CONECT   16   20   54                                                 
CONECT   17   20   20                                                 
CONECT   18    6   52                                                 
CONECT   19   13   13   10   12                                       
CONECT   19   12   11                                                 
CONECT   20   17   17   14   15                                       
CONECT   20   15   16                                                 
CONECT   21   27   22   55   56                                       
CONECT   22   21   28   26   57                                       
CONECT   23   28    7   24   58                                       
CONECT   24   23   25   29   59                                       
CONECT   25   26   33   24   60                                       
CONECT   26   22   37   25   61                                       
CONECT   27   21   62                                                 
CONECT   28   22   23                                                 
CONECT   29   24   41                                                 
CONECT   30   41   63                                                 
CONECT   31   41   41                                                 
CONECT   32   41   41                                                 
CONECT   33   25   42                                                 
CONECT   34   42   42                                                 
CONECT   35   42   42                                                 
CONECT   36   42   64                                                 
CONECT   37   26   43                                                 
CONECT   38   43   65                                                 
CONECT   39   43   43                                                 
CONECT   40   43   43                                                 
CONECT   41   29   31   31   32                                       
CONECT   41   32   30                                                 
CONECT   42   33   34   34   35                                       
CONECT   42   35   36                                                 
CONECT   43   37   40   40   39                                       
CONECT   43   39   38                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    9                                                      
CONECT   52   18                                                      
CONECT   53   11                                                      
CONECT   54   16                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   36                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
