COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.522   1.984  -0.454  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.222  -1.583  -0.100  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.901   0.711  -0.697  1.00  0.00           O  
HETATM    4  S   UNL     1      -2.280   3.325  -1.265  1.00  0.00           S  
HETATM    5  C   UNL     1      -5.608   1.768   0.618  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.686  -3.026   0.467  1.00  0.00           N  
HETATM    7  O   UNL     1      -6.891   2.143   0.113  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.562   0.246   0.902  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.166  -6.062   0.495  1.00  0.00           N  
HETATM   10  O   UNL     1      -6.880  -0.286   1.044  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.878  -0.303  -0.376  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.336  -5.474  -0.221  1.00  0.00           N  
HETATM   13  O   UNL     1       4.145  -3.114   0.672  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.936  -1.758   0.314  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.991  -3.283  -0.555  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.793  -3.744   0.161  1.00  0.00           C  
HETATM   17  N   UNL     1       1.549   5.246   0.246  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.110  -5.113   0.143  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.242  -4.575  -0.558  1.00  0.00           C  
HETATM   20  N   UNL     1       7.804  -2.345  -0.697  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.793  -2.827  -0.206  1.00  0.00           C  
HETATM   22  N   UNL     1       8.051  -4.567  -1.251  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.479   2.983   0.053  1.00  0.00           C  
HETATM   24  N   UNL     1       6.044  -3.843  -0.267  1.00  0.00           N  
HETATM   25  C   UNL     1      -1.145   4.508  -0.487  1.00  0.00           C  
HETATM   26  N   UNL     1       5.121  -0.489   0.798  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.401   3.822   0.663  1.00  0.00           C  
HETATM   28  N   UNL     1       7.644  -0.073  -0.170  1.00  0.00           N  
HETATM   29  C   UNL     1       0.598   4.806   1.276  1.00  0.00           C  
HETATM   30  C   UNL     1       0.862   5.949  -0.845  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.129   4.998  -1.522  1.00  0.00           C  
HETATM   32  C   UNL     1       2.330   4.113  -0.267  1.00  0.00           C  
HETATM   33  C   UNL     1       4.873   1.873   1.380  1.00  0.00           C  
HETATM   34  C   UNL     1       7.293  -3.551  -0.729  1.00  0.00           C  
HETATM   35  C   UNL     1       5.262  -2.871   0.256  1.00  0.00           C  
HETATM   36  C   UNL     1       5.657   0.715   0.818  1.00  0.00           C  
HETATM   37  C   UNL     1       6.941   0.926   0.326  1.00  0.00           C  
HETATM   38  C   UNL     1       7.119  -1.299  -0.199  1.00  0.00           C  
HETATM   39  C   UNL     1       5.814  -1.506   0.303  1.00  0.00           C  
HETATM   40  C   UNL     1       3.222   3.562   0.848  1.00  0.00           C  
HETATM   41  N   UNL     1       4.003   2.429   0.335  1.00  0.00           N  
HETATM   42  H   UNL     1      -4.976   2.356  -1.372  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.372   2.332   1.520  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.612   2.027   0.746  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.961   0.034   1.787  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.397  -7.004   0.478  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.275  -5.786   0.758  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.381   0.095   1.779  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.603  -0.407  -1.184  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.228  -0.961   0.489  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.227  -4.913  -0.848  1.00  0.00           H  
HETATM   52  H   UNL     1       8.943  -4.385  -1.586  1.00  0.00           H  
HETATM   53  H   UNL     1       7.695  -5.469  -1.286  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.974   3.909   0.343  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.961   2.562   0.915  1.00  0.00           H  
HETATM   56  H   UNL     1       5.714  -4.754  -0.314  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.711   5.356  -0.101  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.116   3.508   1.423  1.00  0.00           H  
HETATM   59  H   UNL     1       0.133   2.951   0.282  1.00  0.00           H  
HETATM   60  H   UNL     1       1.140   4.317   2.085  1.00  0.00           H  
HETATM   61  H   UNL     1       0.062   5.671   1.668  1.00  0.00           H  
HETATM   62  H   UNL     1       0.325   6.807  -0.443  1.00  0.00           H  
HETATM   63  H   UNL     1       1.595   6.288  -1.577  1.00  0.00           H  
HETATM   64  H   UNL     1       0.409   4.146  -1.936  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.650   5.525  -2.322  1.00  0.00           H  
HETATM   66  H   UNL     1       1.653   3.331  -0.611  1.00  0.00           H  
HETATM   67  H   UNL     1       2.952   4.447  -1.098  1.00  0.00           H  
HETATM   68  H   UNL     1       4.263   1.527   2.215  1.00  0.00           H  
HETATM   69  H   UNL     1       5.561   2.643   1.728  1.00  0.00           H  
HETATM   70  H   UNL     1       7.366   1.918   0.349  1.00  0.00           H  
HETATM   71  H   UNL     1       3.898   4.344   1.192  1.00  0.00           H  
HETATM   72  H   UNL     1       2.600   3.228   1.679  1.00  0.00           H  
HETATM   73  H   UNL     1       4.540   2.697  -0.477  1.00  0.00           H  
CONECT    1    5   23    3   42                                       
CONECT    2   11   21   14                                            
CONECT    3    1   11                                                 
CONECT    4   23   25                                                 
CONECT    5    1    7    8   43                                       
CONECT    6   14   14   16                                            
CONECT    7    5   44                                                 
CONECT    8    5   10   11   45                                       
CONECT    9   18   46   47                                            
CONECT   10    8   48                                                 
CONECT   11    2    3    8   49                                       
CONECT   12   19   19   18                                            
CONECT   13   35   35                                                 
CONECT   14    2    6    6   50                                       
CONECT   15   21   21   19                                            
CONECT   16    6   21   18   18                                       
CONECT   17   29   30   32                                            
CONECT   18    9   12   16   16                                       
CONECT   19   12   12   15   51                                       
CONECT   20   38   34   34                                            
CONECT   21    2   15   15   16                                       
CONECT   22   34   52   53                                            
CONECT   23    1    4   54   55                                       
CONECT   24   35   34   56                                            
CONECT   25    4   27   31   57                                       
CONECT   26   36   36   39                                            
CONECT   27   25   29   58   59                                       
CONECT   28   37   37   38                                            
CONECT   29   17   27   60   61                                       
CONECT   30   17   31   62   63                                       
CONECT   31   25   30   64   65                                       
CONECT   32   17   40   66   67                                       
CONECT   33   41   36   68   69                                       
CONECT   34   20   20   22   24                                       
CONECT   35   13   13   24   39                                       
CONECT   36   26   26   33   37                                       
CONECT   37   28   28   36   70                                       
CONECT   38   20   28   39   39                                       
CONECT   39   26   35   38   38                                       
CONECT   40   32   41   71   72                                       
CONECT   41   33   40   73                                            
CONECT   42    1                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   14                                                      
CONECT   51   19                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
