COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.915  -2.481   2.366  1.00  0.00           C  
HETATM    2  N   UNL     1       3.810  -2.188   1.449  1.00  0.00           N  
HETATM    3  C   UNL     1       4.002  -1.243   0.481  1.00  0.00           C  
HETATM    4  C   UNL     1       3.046  -0.901  -0.413  1.00  0.00           C  
HETATM    5  C   UNL     1       3.315   0.132  -1.440  1.00  0.00           C  
HETATM    6  C   UNL     1       1.734  -1.570  -0.352  1.00  0.00           C  
HETATM    7  C   UNL     1       1.536  -2.586   0.695  1.00  0.00           C  
HETATM    8  C   UNL     1       2.656  -2.866   1.597  1.00  0.00           C  
HETATM    9  O   UNL     1       2.543  -3.701   2.476  1.00  0.00           O  
HETATM   10  C   UNL     1       0.253  -3.055   0.546  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.304  -2.404  -0.487  1.00  0.00           N  
HETATM   12  N   UNL     1       0.615  -1.496  -1.027  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.670  -2.612  -0.975  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.414  -1.275  -0.991  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.797  -1.469  -1.617  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.526  -0.123  -1.663  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.552   0.447  -0.310  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.285   0.594   0.419  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.569  -0.761   0.442  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.982   0.916   0.382  1.00  0.00           S  
HETATM   21  C   UNL     1      -6.575  -0.565   1.245  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.607   1.921   1.314  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.822   1.220  -0.724  1.00  0.00           O  
HETATM   24  C   UNL     1       3.346   1.485  -1.086  1.00  0.00           C  
HETATM   25  C   UNL     1       3.599   2.443  -2.053  1.00  0.00           C  
HETATM   26  C   UNL     1       3.819   2.063  -3.364  1.00  0.00           C  
HETATM   27  C   UNL     1       3.789   0.726  -3.718  1.00  0.00           C  
HETATM   28  C   UNL     1       3.544  -0.240  -2.763  1.00  0.00           C  
HETATM   29  O   UNL     1       3.129   1.857   0.203  1.00  0.00           O  
HETATM   30  C   UNL     1       3.175   3.256   0.491  1.00  0.00           C  
HETATM   31  C   UNL     1       2.909   3.479   1.981  1.00  0.00           C  
HETATM   32  C   UNL     1       3.032   4.908   2.514  1.00  0.00           C  
HETATM   33  C   UNL     1       1.653   4.264   2.364  1.00  0.00           C  
HETATM   34  H   UNL     1       4.848  -1.826   3.236  1.00  0.00           H  
HETATM   35  H   UNL     1       4.853  -3.520   2.689  1.00  0.00           H  
HETATM   36  H   UNL     1       5.864  -2.314   1.857  1.00  0.00           H  
HETATM   37  H   UNL     1       4.959  -0.747   0.426  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.222  -3.813   1.151  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.636  -3.021  -1.985  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.189  -3.309  -0.318  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.849  -0.551  -1.577  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.687  -1.858  -2.630  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.372  -2.175  -1.017  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.000   0.555  -2.336  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.547  -0.272  -2.016  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.657   1.330  -0.083  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.486   0.918   1.441  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.156  -1.472   1.023  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.585  -0.645   0.895  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.842  -0.868   1.992  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.524  -0.344   1.734  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.716  -1.372   0.526  1.00  0.00           H  
HETATM   53  H   UNL     1       3.623   3.489  -1.783  1.00  0.00           H  
HETATM   54  H   UNL     1       4.016   2.814  -4.115  1.00  0.00           H  
HETATM   55  H   UNL     1       3.962   0.438  -4.744  1.00  0.00           H  
HETATM   56  H   UNL     1       3.526  -1.283  -3.043  1.00  0.00           H  
HETATM   57  H   UNL     1       4.160   3.647   0.235  1.00  0.00           H  
HETATM   58  H   UNL     1       2.416   3.773  -0.096  1.00  0.00           H  
HETATM   59  H   UNL     1       3.217   2.668   2.640  1.00  0.00           H  
HETATM   60  H   UNL     1       3.420   5.036   3.524  1.00  0.00           H  
HETATM   61  H   UNL     1       3.303   5.689   1.803  1.00  0.00           H  
HETATM   62  H   UNL     1       1.016   4.621   1.554  1.00  0.00           H  
HETATM   63  H   UNL     1       1.133   3.968   3.276  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1    3    8                                            
CONECT    3    2    4    4   37                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   24   28   28                                       
CONECT    6    4    7   12   12                                       
CONECT    7    6    8   10   10                                       
CONECT    8    7    2    9    9                                       
CONECT    9    8    8                                                 
CONECT   10    7    7   11   38                                       
CONECT   11   10   12   13                                            
CONECT   12   11    6    6                                            
CONECT   13   11   14   39   40                                       
CONECT   14   13   15   19   41                                       
CONECT   15   16   14   42   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   16   18   20                                            
CONECT   18   17   19   46   47                                       
CONECT   19   18   14   48   49                                       
CONECT   20   17   21   22   22                                       
CONECT   20   23   23                                                 
CONECT   21   20   50   51   52                                       
CONECT   22   20   20                                                 
CONECT   23   20   20                                                 
CONECT   24   25   25    5   29                                       
CONECT   25   24   24   26   53                                       
CONECT   26   25   27   27   54                                       
CONECT   27   26   26   28   55                                       
CONECT   28   27    5    5   56                                       
CONECT   29   24   30                                                 
CONECT   30   29   31   57   58                                       
CONECT   31   30   32   33   59                                       
CONECT   32   33   31   60   61                                       
CONECT   33   32   31   62   63                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
