COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.056  -0.190 -10.213  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.416  -1.001  -8.722  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.404  -0.001  -7.563  1.00  0.00           C  
HETATM    4  C   UNL     1       0.134  -0.685  -6.305  1.00  0.00           C  
HETATM    5  N   UNL     1       0.145   0.271  -5.196  1.00  0.00           N  
HETATM    6  C   UNL     1       0.584  -0.111  -3.981  1.00  0.00           C  
HETATM    7  O   UNL     1       0.969  -1.247  -3.805  1.00  0.00           O  
HETATM    8  C   UNL     1       0.595   0.873  -2.839  1.00  0.00           C  
HETATM    9  C   UNL     1       1.491   2.060  -3.199  1.00  0.00           C  
HETATM   10  N   UNL     1       1.112   0.218  -1.635  1.00  0.00           N  
HETATM   11  C   UNL     1       0.689   0.616  -0.418  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.117   1.515  -0.321  1.00  0.00           O  
HETATM   13  C   UNL     1       1.221  -0.057   0.820  1.00  0.00           C  
HETATM   14  N   UNL     1       0.612   0.551   2.005  1.00  0.00           N  
HETATM   15  C   UNL     1       0.940   0.106   3.235  1.00  0.00           C  
HETATM   16  O   UNL     1       1.739  -0.797   3.359  1.00  0.00           O  
HETATM   17  C   UNL     1       0.314   0.732   4.454  1.00  0.00           C  
HETATM   18  N   UNL     1       1.249   0.651   5.579  1.00  0.00           N  
HETATM   19  C   UNL     1       1.687  -0.573   6.022  1.00  0.00           C  
HETATM   20  N   UNL     1       2.565  -0.649   7.078  1.00  0.00           N  
HETATM   21  N   UNL     1       1.271  -1.663   5.442  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.973  -0.015   4.807  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.608   0.620   6.045  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.896  -0.127   6.398  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.872  -0.043   5.223  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.237  -0.678   3.985  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.949   0.068   3.632  1.00  0.00           C  
HETATM   28  H   UNL     1      -0.983  -1.213 -11.084  1.00  0.00           H  
HETATM   29  H   UNL     1       0.598  -1.354  -8.907  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.054  -1.846  -8.466  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.419   0.351  -7.378  1.00  0.00           H  
HETATM   32  H   UNL     1       0.233   0.844  -7.819  1.00  0.00           H  
HETATM   33  H   UNL     1       1.149  -1.038  -6.491  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.503  -1.531  -6.049  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.162   1.180  -5.337  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.419   1.226  -2.654  1.00  0.00           H  
HETATM   37  H   UNL     1       2.505   1.707  -3.384  1.00  0.00           H  
HETATM   38  H   UNL     1       1.106   2.547  -4.095  1.00  0.00           H  
HETATM   39  H   UNL     1       1.499   2.772  -2.373  1.00  0.00           H  
HETATM   40  H   UNL     1       1.757  -0.500  -1.713  1.00  0.00           H  
HETATM   41  H   UNL     1       0.976  -1.119   0.790  1.00  0.00           H  
HETATM   42  H   UNL     1       2.303   0.064   0.864  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.026   1.273   1.906  1.00  0.00           H  
HETATM   44  H   UNL     1       0.083   1.777   4.248  1.00  0.00           H  
HETATM   45  H   UNL     1       1.559   1.462   6.011  1.00  0.00           H  
HETATM   46  H   UNL     1       2.874  -1.513   7.391  1.00  0.00           H  
HETATM   47  H   UNL     1       2.875   0.161   7.510  1.00  0.00           H  
HETATM   48  H   UNL     1       1.580  -2.528   5.755  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.741  -1.060   5.013  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.912   0.560   6.882  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.840   1.665   5.839  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.664  -1.172   6.604  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.349   0.325   7.280  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.790  -0.575   5.475  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.104   1.001   5.017  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.006  -1.723   4.191  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.933  -0.618   3.148  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.181   1.113   3.426  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.496  -0.383   2.750  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    1    3   29   30                                       
CONECT    3    2    4   31   32                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4    6   35                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   10   36                                       
CONECT    9    8   37   38   39                                       
CONECT   10    8   11   40                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   41   42                                       
CONECT   14   13   15   43                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   22   44                                       
CONECT   18   17   19   45                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19   46   47                                            
CONECT   21   19   19   48                                            
CONECT   22   17   23   27   49                                       
CONECT   23   22   24   50   51                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   22   26   58   59                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
