COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.631   0.795   1.883  1.00  0.00           O  
HETATM    2  C   UNL     1       6.726   0.463   0.718  1.00  0.00           C  
HETATM    3  O   UNL     1       7.911   0.558   0.086  1.00  0.00           O  
HETATM    4  C   UNL     1       9.031   1.065   0.858  1.00  0.00           C  
HETATM    5  C   UNL     1      10.264   1.100  -0.009  1.00  0.00           C  
HETATM    6  S   UNL     1      11.434  -0.204  -0.200  1.00  0.00           S  
HETATM    7  C   UNL     1      12.342   0.759  -1.282  1.00  0.00           C  
HETATM    8  N   UNL     1      11.778   1.909  -1.436  1.00  0.00           N  
HETATM    9  C   UNL     1      10.660   2.123  -0.773  1.00  0.00           C  
HETATM   10  N   UNL     1       5.647  -0.006   0.060  1.00  0.00           N  
HETATM   11  C   UNL     1       4.359  -0.115   0.750  1.00  0.00           C  
HETATM   12  C   UNL     1       3.310  -0.670  -0.214  1.00  0.00           C  
HETATM   13  C   UNL     1       1.964  -0.783   0.506  1.00  0.00           C  
HETATM   14  C   UNL     1       0.915  -1.339  -0.459  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.373  -1.448   0.231  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.452  -1.916  -0.427  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.379  -2.166  -1.611  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.749  -2.130   0.310  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.768  -3.537   0.912  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.628  -3.674   1.922  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.106  -3.772   1.617  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.870  -1.983  -0.622  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.087  -1.629  -0.162  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.254  -1.433   1.026  1.00  0.00           O  
HETATM   25  N   UNL     1      -6.118  -1.494  -1.019  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.916  -1.730  -2.451  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.440  -1.110  -0.519  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.564   0.392  -0.527  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.133   1.148   0.462  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.115   1.066  -1.541  1.00  0.00           C  
HETATM   31  S   UNL     1      -8.050   2.783  -1.149  1.00  0.00           S  
HETATM   32  C   UNL     1      -7.294   2.423   0.341  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.870   3.446   1.363  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.854   4.403   0.735  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.093   4.237   1.831  1.00  0.00           C  
HETATM   36  H   UNL     1       8.805   2.072   1.207  1.00  0.00           H  
HETATM   37  H   UNL     1       9.208   0.414   1.714  1.00  0.00           H  
HETATM   38  H   UNL     1      13.257   0.450  -1.766  1.00  0.00           H  
HETATM   39  H   UNL     1      10.109   3.050  -0.839  1.00  0.00           H  
HETATM   40  H   UNL     1       5.723  -0.271  -0.869  1.00  0.00           H  
HETATM   41  H   UNL     1       4.460  -0.785   1.603  1.00  0.00           H  
HETATM   42  H   UNL     1       4.049   0.871   1.097  1.00  0.00           H  
HETATM   43  H   UNL     1       3.209   0.001  -1.068  1.00  0.00           H  
HETATM   44  H   UNL     1       3.620  -1.655  -0.562  1.00  0.00           H  
HETATM   45  H   UNL     1       2.065  -1.454   1.359  1.00  0.00           H  
HETATM   46  H   UNL     1       1.654   0.202   0.853  1.00  0.00           H  
HETATM   47  H   UNL     1       0.814  -0.668  -1.312  1.00  0.00           H  
HETATM   48  H   UNL     1       1.225  -2.324  -0.806  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.449  -1.182   1.161  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.840  -1.393   1.107  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.642  -4.273   0.118  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.692  -2.871   2.655  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.706  -4.636   2.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.672  -3.615   1.401  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.918  -3.673   0.898  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.119  -4.774   2.046  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.232  -3.035   2.411  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.737  -2.139  -1.570  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.628  -0.798  -2.936  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.129  -2.471  -2.589  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.843  -2.098  -2.892  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.210  -1.541  -1.159  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.565  -1.479   0.499  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.527   0.636  -2.442  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.415   2.942   2.215  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.309   4.908  -0.117  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.548   5.144   1.474  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.983   3.840   0.402  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.787   4.977   2.570  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.548   4.741   0.979  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.817   3.555   2.278  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   36   37                                       
CONECT    5    4    9    9    6                                       
CONECT    6    5    7                                                 
CONECT    7    8    8    6   38                                       
CONECT    8    9    7    7                                            
CONECT    9    5    5    8   39                                       
CONECT   10    2   11   40                                            
CONECT   11   12   10   41   42                                       
CONECT   12   13   11   43   44                                       
CONECT   13   14   12   45   46                                       
CONECT   14   15   13   47   48                                       
CONECT   15   14   16   49                                            
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   22   16   19   50                                       
CONECT   19   18   21   20   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21   19   55   56   57                                       
CONECT   22   23   18   58                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   27   23                                            
CONECT   26   25   59   60   61                                       
CONECT   27   28   25   62   63                                       
CONECT   28   30   30   29   27                                       
CONECT   29   32   32   28                                            
CONECT   30   31   28   28   64                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   29   29                                       
CONECT   33   32   34   35   65                                       
CONECT   34   33   66   67   68                                       
CONECT   35   33   69   70   71                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   30                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
