COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.451   2.738   2.351  1.00  0.00           O  
HETATM    2  C   UNL     1       1.233   2.553   1.172  1.00  0.00           C  
HETATM    3  C   UNL     1       1.992   2.768  -0.119  1.00  0.00           C  
HETATM    4  C   UNL     1       0.722   2.469  -0.897  1.00  0.00           C  
HETATM    5  N   UNL     1       0.219   2.067   0.451  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.937   1.273   0.656  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.316   0.588  -0.438  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.599   0.680  -1.750  1.00  0.00           C  
HETATM    9  O   UNL     1       0.699   1.260  -1.671  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.654   1.204   1.943  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.677   0.555   2.034  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.174   1.861   3.017  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.519  -0.314  -0.340  1.00  0.00           C  
HETATM   14  O   UNL     1       2.452   4.111  -0.285  1.00  0.00           O  
HETATM   15  C   UNL     1       3.698   4.383   0.360  1.00  0.00           C  
HETATM   16  N   UNL     1       3.050   1.779  -0.338  1.00  0.00           N  
HETATM   17  C   UNL     1       2.835   0.483  -0.036  1.00  0.00           C  
HETATM   18  O   UNL     1       1.764   0.136   0.417  1.00  0.00           O  
HETATM   19  C   UNL     1       3.923  -0.535  -0.261  1.00  0.00           C  
HETATM   20  C   UNL     1       4.294  -0.558  -1.721  1.00  0.00           C  
HETATM   21  O   UNL     1       5.248  -1.395  -2.158  1.00  0.00           O  
HETATM   22  O   UNL     1       3.732   0.176  -2.499  1.00  0.00           O  
HETATM   23  C   UNL     1       3.430  -1.897   0.154  1.00  0.00           C  
HETATM   24  C   UNL     1       4.086  -2.593   1.153  1.00  0.00           C  
HETATM   25  C   UNL     1       3.637  -3.842   1.535  1.00  0.00           C  
HETATM   26  C   UNL     1       2.526  -4.398   0.916  1.00  0.00           C  
HETATM   27  C   UNL     1       1.870  -3.697  -0.085  1.00  0.00           C  
HETATM   28  C   UNL     1       2.320  -2.446  -0.460  1.00  0.00           C  
HETATM   29  O   UNL     1       2.082  -5.627   1.291  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.018   0.640  -0.683  1.00  0.00           S  
HETATM   31  C   UNL     1      -5.232  -0.624  -0.504  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.010  -1.885  -0.202  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.115  -2.537  -0.151  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.108  -1.758  -0.412  1.00  0.00           N  
HETATM   35  N   UNL     1      -6.571  -0.479  -0.647  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.303   0.746  -0.978  1.00  0.00           C  
HETATM   37  H   UNL     1       0.241   3.328  -1.365  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.506  -0.324  -2.164  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.203   1.277  -2.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.679   1.786   3.839  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.427  -1.122  -1.066  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.577  -0.733   0.665  1.00  0.00           H  
HETATM   43  H   UNL     1       3.599   4.207   1.431  1.00  0.00           H  
HETATM   44  H   UNL     1       4.468   3.726  -0.046  1.00  0.00           H  
HETATM   45  H   UNL     1       3.978   5.422   0.186  1.00  0.00           H  
HETATM   46  H   UNL     1       3.906   2.056  -0.700  1.00  0.00           H  
HETATM   47  H   UNL     1       4.798  -0.268   0.332  1.00  0.00           H  
HETATM   48  H   UNL     1       5.452  -1.374  -3.103  1.00  0.00           H  
HETATM   49  H   UNL     1       4.951  -2.161   1.633  1.00  0.00           H  
HETATM   50  H   UNL     1       4.150  -4.386   2.315  1.00  0.00           H  
HETATM   51  H   UNL     1       1.005  -4.128  -0.568  1.00  0.00           H  
HETATM   52  H   UNL     1       1.806  -1.898  -1.236  1.00  0.00           H  
HETATM   53  H   UNL     1       1.430  -5.609   2.004  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.402   0.829  -2.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.294   0.711  -0.524  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.759   1.609  -0.595  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   14   16                                       
CONECT    4    3    5    9   37                                       
CONECT    5    2    4    6                                            
CONECT    6    5    7    7   10                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9   38   39                                       
CONECT    9    4    8                                                 
CONECT   10    6   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   40                                                 
CONECT   13    7   30   41   42                                       
CONECT   14    3   15                                                 
CONECT   15   14   43   44   45                                       
CONECT   16    3   17   46                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   23   47                                       
CONECT   20   19   21   22   22                                       
CONECT   21   20   48                                                 
CONECT   22   20   20                                                 
CONECT   23   19   24   24   28                                       
CONECT   24   23   23   25   49                                       
CONECT   25   24   26   26   50                                       
CONECT   26   25   25   27   29                                       
CONECT   27   26   28   28   51                                       
CONECT   28   23   27   27   52                                       
CONECT   29   26   53                                                 
CONECT   30   13   31                                                 
CONECT   31   30   32   32   35                                       
CONECT   32   31   31   33                                            
CONECT   33   32   34   34                                            
CONECT   34   33   33   35                                            
CONECT   35   31   34   36                                            
CONECT   36   35   54   55   56                                       
CONECT   37    4                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   36                                                      
CONECT   55   36                                                      
CONECT   56   36                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
