COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.131  -1.633   2.239  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.298  -2.873   1.907  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.696  -2.698   1.989  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.668  -2.094   1.065  1.00  0.00           C  
HETATM    5  C   UNL     1       0.689  -2.006   1.113  1.00  0.00           C  
HETATM    6  C   UNL     1       1.383  -1.368   0.077  1.00  0.00           C  
HETATM    7  C   UNL     1       0.679  -0.826  -1.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.683  -0.916  -1.049  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.378  -1.552  -0.014  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.813  -1.799   0.207  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.971   2.131  -1.285  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.885   2.046  -0.423  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.839   4.434  -0.251  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.789   5.960   1.640  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.207   6.331   1.541  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.487   3.374  -1.627  1.00  0.00           C  
HETATM   17  C   UNL     1       2.854  -1.270   0.124  1.00  0.00           C  
HETATM   18  C   UNL     1       5.294  -1.234  -0.207  1.00  0.00           C  
HETATM   19  C   UNL     1       7.599  -0.957   0.262  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.038  -3.722   0.872  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.412  -4.271   1.260  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.302  -3.130   0.245  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.002  -2.459   1.364  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.701  -1.453  -0.548  1.00  0.00           O  
HETATM   25  S   UNL     1      -1.565  -0.230  -2.411  1.00  0.00           S  
HETATM   26  O   UNL     1      -0.599   0.410  -3.233  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.432  -1.253  -2.883  1.00  0.00           O  
HETATM   28  N   UNL     1      -2.538   0.968  -1.812  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.322   3.198   0.091  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.222   5.689   0.312  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.021   6.999   2.338  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.920   4.522  -1.109  1.00  0.00           C  
HETATM   33  S   UNL     1       3.959  -1.620  -1.203  1.00  0.00           S  
HETATM   34  N   UNL     1       6.621  -1.285  -0.606  1.00  0.00           N  
HETATM   35  O   UNL     1       7.319  -0.618   1.392  1.00  0.00           O  
HETATM   36  C   UNL     1       9.041  -1.013  -0.172  1.00  0.00           C  
HETATM   37  N   UNL     1       4.888  -0.885   0.976  1.00  0.00           N  
HETATM   38  C   UNL     1       3.592  -0.891   1.191  1.00  0.00           C  
HETATM   39  C   UNL     1       2.980  -0.506   2.513  1.00  0.00           C  
HETATM   40  H   UNL     1      -6.095  -1.941   2.644  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.604  -1.028   2.977  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.287  -1.047   1.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.142  -3.459   2.813  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.522  -3.769   2.095  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.653  -2.213   2.965  1.00  0.00           H  
HETATM   46  H   UNL     1       1.230  -2.426   1.948  1.00  0.00           H  
HETATM   47  H   UNL     1       1.213  -0.334  -1.802  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.481   1.081  -0.155  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.765   5.514   1.083  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.602   6.526   2.538  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.307   7.227   0.929  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.331   3.443  -2.297  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.407  -4.346   0.238  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.686  -5.256   0.882  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.790  -4.027   2.253  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.606  -2.135   0.571  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.503  -3.364  -0.800  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.502   0.863  -1.826  1.00  0.00           H  
HETATM   59  H   UNL     1       0.522   3.133   0.761  1.00  0.00           H  
HETATM   60  H   UNL     1       0.856   5.557   0.397  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.435   6.527  -0.352  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.113   7.943   1.800  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.407   7.119   3.350  1.00  0.00           H  
HETATM   64  H   UNL     1       1.029   6.707   2.382  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.322   5.489  -1.374  1.00  0.00           H  
HETATM   66  H   UNL     1       6.846  -1.556  -1.510  1.00  0.00           H  
HETATM   67  H   UNL     1       9.334  -0.047  -0.584  1.00  0.00           H  
HETATM   68  H   UNL     1       9.670  -1.247   0.686  1.00  0.00           H  
HETATM   69  H   UNL     1       9.163  -1.784  -0.933  1.00  0.00           H  
HETATM   70  H   UNL     1       2.955  -1.376   3.169  1.00  0.00           H  
HETATM   71  H   UNL     1       3.577   0.280   2.975  1.00  0.00           H  
HETATM   72  H   UNL     1       1.965  -0.143   2.352  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2   23   20    1   43                                       
CONECT    3   23    4   44   45                                       
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6   46                                       
CONECT    6    7    7   17    5                                       
CONECT    7    8    6    6   47                                       
CONECT    8   25    9    9    7                                       
CONECT    9    8    8   10    4                                       
CONECT   10   24   24    9   23                                       
CONECT   11   12   28   16   16                                       
CONECT   12   29   29   11   48                                       
CONECT   13   29   30   32   32                                       
CONECT   14   31   30   15                                            
CONECT   15   14   49   50   51                                       
CONECT   16   11   11   32   52                                       
CONECT   17    6   33   38   38                                       
CONECT   18   33   34   37   37                                       
CONECT   19   35   35   36   34                                       
CONECT   20   21   22    2   53                                       
CONECT   21   22   20   54   55                                       
CONECT   22   21   20   56   57                                       
CONECT   23   10    2    3                                            
CONECT   24   10   10                                                 
CONECT   25   26   26   28   27                                       
CONECT   25   27    8                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   11   58                                            
CONECT   29   12   12   13   59                                       
CONECT   30   13   14   60   61                                       
CONECT   31   14   62   63   64                                       
CONECT   32   13   13   16   65                                       
CONECT   33   17   18                                                 
CONECT   34   19   18   66                                            
CONECT   35   19   19                                                 
CONECT   36   19   67   68   69                                       
CONECT   37   18   18   38                                            
CONECT   38   17   17   37   39                                       
CONECT   39   38   70   71   72                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
