COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.813  -1.553  -0.735  1.00  0.00           O  
HETATM    2  C   UNL     1       6.002  -0.830  -0.191  1.00  0.00           C  
HETATM    3  O   UNL     1       6.357   0.412   0.190  1.00  0.00           O  
HETATM    4  C   UNL     1       7.725   0.819  -0.081  1.00  0.00           C  
HETATM    5  C   UNL     1       7.936   2.227   0.411  1.00  0.00           C  
HETATM    6  S   UNL     1       7.680   3.701  -0.520  1.00  0.00           S  
HETATM    7  C   UNL     1       8.157   4.644   0.824  1.00  0.00           C  
HETATM    8  N   UNL     1       8.459   3.880   1.819  1.00  0.00           N  
HETATM    9  C   UNL     1       8.347   2.580   1.633  1.00  0.00           C  
HETATM   10  N   UNL     1       4.746  -1.268   0.026  1.00  0.00           N  
HETATM   11  C   UNL     1       4.358  -2.617  -0.394  1.00  0.00           C  
HETATM   12  C   UNL     1       4.740  -3.620   0.697  1.00  0.00           C  
HETATM   13  C   UNL     1       6.262  -3.663   0.840  1.00  0.00           C  
HETATM   14  C   UNL     1       2.846  -2.664  -0.624  1.00  0.00           C  
HETATM   15  C   UNL     1       2.480  -1.754  -1.798  1.00  0.00           C  
HETATM   16  C   UNL     1       0.969  -1.801  -2.028  1.00  0.00           C  
HETATM   17  C   UNL     1       0.617  -0.990  -3.277  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.875  -1.140  -3.579  1.00  0.00           C  
HETATM   19  N   UNL     1       0.280  -1.232  -0.867  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.988  -1.597  -0.590  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.558  -2.396  -1.301  1.00  0.00           O  
HETATM   22  CA  UNL     1      -1.696  -1.011   0.604  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.924  -1.362   1.878  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.751  -2.778   1.956  1.00  0.00           O  
HETATM   25  N   UNL     1      -3.051  -1.563   0.688  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.023  -0.871   1.313  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.776   0.212   1.809  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.269  -1.379   1.390  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.567  -2.683   0.793  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.326  -0.626   2.070  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.024   0.269   1.078  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.574   1.465   0.758  1.00  0.00           N  
HETATM   33  C   UNL     1      -7.256   2.139  -0.104  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.904   3.520  -0.595  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.693   3.485  -2.110  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.042   4.486  -0.260  1.00  0.00           C  
HETATM   37  S   UNL     1      -8.619   1.239  -0.611  1.00  0.00           S  
HETATM   38  C   UNL     1      -8.146  -0.089   0.446  1.00  0.00           C  
HETATM   39  H   UNL     1       8.412   0.147   0.433  1.00  0.00           H  
HETATM   40  H   UNL     1       7.910   0.778  -1.154  1.00  0.00           H  
HETATM   41  H   UNL     1       8.204   5.723   0.837  1.00  0.00           H  
HETATM   42  H   UNL     1       8.575   1.858   2.404  1.00  0.00           H  
HETATM   43  H   UNL     1       4.099  -0.690   0.460  1.00  0.00           H  
HETATM   44  H   UNL     1       4.875  -2.872  -1.319  1.00  0.00           H  
HETATM   45  H   UNL     1       4.294  -3.314   1.643  1.00  0.00           H  
HETATM   46  H   UNL     1       4.372  -4.609   0.425  1.00  0.00           H  
HETATM   47  H   UNL     1       6.534  -4.377   1.617  1.00  0.00           H  
HETATM   48  H   UNL     1       6.708  -3.968  -0.107  1.00  0.00           H  
HETATM   49  H   UNL     1       6.630  -2.673   1.112  1.00  0.00           H  
HETATM   50  H   UNL     1       2.545  -3.687  -0.850  1.00  0.00           H  
HETATM   51  H   UNL     1       2.331  -2.323   0.274  1.00  0.00           H  
HETATM   52  H   UNL     1       2.782  -0.731  -1.572  1.00  0.00           H  
HETATM   53  H   UNL     1       2.996  -2.094  -2.696  1.00  0.00           H  
HETATM   54  H   UNL     1       0.654  -2.836  -2.166  1.00  0.00           H  
HETATM   55  H   UNL     1       0.850   0.060  -3.106  1.00  0.00           H  
HETATM   56  H   UNL     1       1.197  -1.358  -4.124  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.108  -2.191  -3.750  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.456  -0.772  -2.733  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.126  -0.562  -4.469  1.00  0.00           H  
HETATM   60  H   UNL     1       0.736  -0.592  -0.298  1.00  0.00           H  
HETATM   61  HA  UNL     1      -1.751   0.072   0.499  1.00  0.00           H  
HETATM   62  H1  UNL     1       0.052  -0.877   1.855  1.00  0.00           H  
HETATM   63  H2  UNL     1      -1.481  -1.015   2.748  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.268  -3.072   2.740  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.247  -2.427   0.292  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.398  -3.467   1.531  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.607  -2.706   0.470  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.916  -2.847  -0.066  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.047  -1.321   2.502  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.888  -0.019   2.862  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.988   3.855  -0.108  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.438   4.484  -2.464  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.882   2.797  -2.348  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.609   3.149  -2.596  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.787   5.485  -0.615  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.958   4.150  -0.747  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.193   4.511   0.819  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.671  -1.025   0.564  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   10    3    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    5    3   39   40                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    5                                                 
CONECT    7    8    8    6   41                                       
CONECT    8    7    7    9                                            
CONECT    9    8    5    5   42                                       
CONECT   10   11    2   43                                            
CONECT   11   14   10   12   44                                       
CONECT   12   11   13   45   46                                       
CONECT   13   12   47   48   49                                       
CONECT   14   15   11   50   51                                       
CONECT   15   16   14   52   53                                       
CONECT   16   19   17   15   54                                       
CONECT   17   18   16   55   56                                       
CONECT   18   17   57   58   59                                       
CONECT   19   20   16   60                                            
CONECT   20   21   21   22   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   25   61                                       
CONECT   23   24   22   62   63                                       
CONECT   24   23   64                                                 
CONECT   25   26   22   65                                            
CONECT   26   27   27   25   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   30   29                                            
CONECT   29   28   66   67   68                                       
CONECT   30   31   28   69   70                                       
CONECT   31   32   30   38   38                                       
CONECT   32   33   33   31                                            
CONECT   33   34   32   32   37                                       
CONECT   34   35   36   33   71                                       
CONECT   35   34   72   73   74                                       
CONECT   36   34   75   76   77                                       
CONECT   37   33   38                                                 
CONECT   38   31   31   37   78                                       
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
