COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.840  -0.082   3.277  1.00  0.00           C  
HETATM    2  C   UNL     1       3.661   0.751   2.034  1.00  0.00           C  
HETATM    3  C   UNL     1       2.464   0.722   1.353  1.00  0.00           C  
HETATM    4  C   UNL     1       4.702   1.550   1.579  1.00  0.00           C  
HETATM    5  O   UNL     1       5.879   1.579   2.257  1.00  0.00           O  
HETATM    6  C   UNL     1       4.543   2.320   0.434  1.00  0.00           C  
HETATM    7  C   UNL     1       3.351   2.294  -0.256  1.00  0.00           C  
HETATM    8  C   UNL     1       2.299   1.495   0.200  1.00  0.00           C  
HETATM    9  C   UNL     1       1.022   1.464  -0.535  1.00  0.00           C  
HETATM   10  C   UNL     1       0.543   0.373  -1.153  1.00  0.00           C  
HETATM   11  C   UNL     1       1.235  -0.928  -1.172  1.00  0.00           C  
HETATM   12  C   UNL     1       0.558  -2.088  -0.784  1.00  0.00           C  
HETATM   13  C   UNL     1       1.209  -3.302  -0.804  1.00  0.00           C  
HETATM   14  C   UNL     1       0.481  -4.553  -0.386  1.00  0.00           C  
HETATM   15  C   UNL     1       2.536  -3.375  -1.208  1.00  0.00           C  
HETATM   16  O   UNL     1       3.174  -4.574  -1.227  1.00  0.00           O  
HETATM   17  C   UNL     1       3.213  -2.225  -1.594  1.00  0.00           C  
HETATM   18  C   UNL     1       2.569  -1.007  -1.583  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.814   0.633  -1.840  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.504   2.375  -2.417  1.00  0.00           S  
HETATM   21  O   UNL     1      -1.747   3.034  -2.619  1.00  0.00           O  
HETATM   22  C   UNL     1       0.082   2.680  -0.675  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.178   2.179   0.112  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.724   0.932  -0.600  1.00  0.00           C  
HETATM   25  S   UNL     1      -1.692  -0.483   0.535  1.00  0.00           S  
HETATM   26  O   UNL     1      -2.339  -1.605  -0.050  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.412  -0.608   1.139  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.609  -0.074   1.678  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.932  -0.128   1.372  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.649  -1.295   1.591  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.994  -1.347   1.278  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.625  -0.237   0.749  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.912   0.928   0.530  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.569   0.987   0.846  1.00  0.00           C  
HETATM   35  H   UNL     1       4.227  -1.064   3.004  1.00  0.00           H  
HETATM   36  H   UNL     1       4.543   0.412   3.948  1.00  0.00           H  
HETATM   37  H   UNL     1       2.879  -0.197   3.779  1.00  0.00           H  
HETATM   38  H   UNL     1       1.653   0.103   1.709  1.00  0.00           H  
HETATM   39  H   UNL     1       6.520   0.918   1.961  1.00  0.00           H  
HETATM   40  H   UNL     1       5.356   2.940   0.085  1.00  0.00           H  
HETATM   41  H   UNL     1       3.228   2.893  -1.146  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.474  -2.033  -0.469  1.00  0.00           H  
HETATM   43  H   UNL     1       0.002  -5.002  -1.256  1.00  0.00           H  
HETATM   44  H   UNL     1       1.190  -5.261   0.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.276  -4.302   0.357  1.00  0.00           H  
HETATM   46  H   UNL     1       3.097  -5.047  -2.066  1.00  0.00           H  
HETATM   47  H   UNL     1       4.245  -2.286  -1.908  1.00  0.00           H  
HETATM   48  H   UNL     1       3.094  -0.114  -1.888  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.158  -0.095  -2.575  1.00  0.00           H  
HETATM   50  H   UNL     1       0.488   3.664  -0.437  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.896   1.927   1.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.939   2.959   0.122  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.747   1.115  -0.929  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.156  -2.163   2.004  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.552  -2.256   1.448  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.676  -0.279   0.506  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.407   1.793   0.115  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.013   1.896   0.675  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    3    3    4    1                                       
CONECT    3    8    2    2   38                                       
CONECT    4    6    6    2    5                                       
CONECT    5    4   39                                                 
CONECT    6    7    4    4   40                                       
CONECT    7    8    8    6   41                                       
CONECT    8    9    7    7    3                                       
CONECT    9   10   10   22    8                                       
CONECT   10   19   11    9    9                                       
CONECT   11   10   18   18   12                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   15   14                                       
CONECT   14   13   43   44   45                                       
CONECT   15   17   17   13   16                                       
CONECT   16   15   46                                                 
CONECT   17   18   15   15   47                                       
CONECT   18   11   11   17   48                                       
CONECT   19   24   20   10   49                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   23   20    9   50                                       
CONECT   23   24   22   51   52                                       
CONECT   24   25   23   19   53                                       
CONECT   25   26   26   28   27                                       
CONECT   25   27   24                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   25                                                 
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29   54                                       
CONECT   31   32   30   30   55                                       
CONECT   32   33   33   31   56                                       
CONECT   33   32   32   34   57                                       
CONECT   34   33   29   29   58                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
