COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.832  -2.413   0.668  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.172  -1.918  -0.450  1.00  0.00           C  
HETATM    3  C   UNL     1       0.383  -2.825  -1.378  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.908  -0.254   0.773  1.00  0.00           C  
HETATM    5  N   UNL     1       0.262  -4.150  -1.158  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.927  -3.785   0.835  1.00  0.00           N  
HETATM    7  C   UNL     1       8.625   2.937   1.671  1.00  0.00           C  
HETATM    8  N   UNL     1       7.720   2.148   0.832  1.00  0.00           N  
HETATM    9  N   UNL     1       6.321   2.229   0.829  1.00  0.00           N  
HETATM   10  C   UNL     1       8.089   1.220  -0.077  1.00  0.00           C  
HETATM   11  C   UNL     1       6.968   0.718  -0.640  1.00  0.00           C  
HETATM   12  C   UNL     1       5.864   1.368  -0.055  1.00  0.00           C  
HETATM   13  C   UNL     1       4.436   1.124  -0.379  1.00  0.00           C  
HETATM   14  C   UNL     1       3.438   1.840   0.278  1.00  0.00           C  
HETATM   15  C   UNL     1       2.112   1.610  -0.026  1.00  0.00           C  
HETATM   16  C   UNL     1       4.089   0.182  -1.345  1.00  0.00           C  
HETATM   17  C   UNL     1       2.759  -0.041  -1.642  1.00  0.00           C  
HETATM   18  C   UNL     1       1.772   0.669  -0.982  1.00  0.00           C  
HETATM   19  C   UNL     1       0.322   0.421  -1.310  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.236  -0.542  -0.358  1.00  0.00           N  
HETATM   21  O   UNL     1       0.965  -2.415  -2.366  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.379  -4.616  -0.072  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.474  -5.817   0.091  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.617  -4.333   2.006  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.099  -4.526   1.681  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.257  -1.362   1.374  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.212   1.136   1.271  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.597   1.536   0.829  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.048   1.533  -0.433  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.296   1.940  -0.441  1.00  0.00           C  
HETATM   31  S   UNL     1      -5.697   2.276  -1.469  1.00  0.00           S  
HETATM   32  C   UNL     1      -6.735   2.776  -0.122  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.168   3.235  -0.198  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.989   2.661   0.963  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.692   2.221   0.830  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.590   1.950   1.634  1.00  0.00           C  
HETATM   37  H   UNL     1       0.642  -4.777  -1.793  1.00  0.00           H  
HETATM   38  H   UNL     1       8.806   2.408   2.607  1.00  0.00           H  
HETATM   39  H   UNL     1       9.569   3.084   1.148  1.00  0.00           H  
HETATM   40  H   UNL     1       8.172   3.905   1.883  1.00  0.00           H  
HETATM   41  H   UNL     1       9.102   0.928  -0.311  1.00  0.00           H  
HETATM   42  H   UNL     1       6.926  -0.043  -1.405  1.00  0.00           H  
HETATM   43  H   UNL     1       3.701   2.574   1.026  1.00  0.00           H  
HETATM   44  H   UNL     1       1.337   2.164   0.483  1.00  0.00           H  
HETATM   45  H   UNL     1       4.858  -0.372  -1.861  1.00  0.00           H  
HETATM   46  H   UNL     1       2.489  -0.771  -2.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.230   1.359  -1.245  1.00  0.00           H  
HETATM   48  H   UNL     1       0.242   0.022  -2.321  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.175  -5.293   2.271  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.516  -3.643   2.843  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.612  -4.934   2.552  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.541  -3.566   1.415  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.201  -5.217   0.843  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.160   1.151   2.360  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.484   1.836   0.862  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.500   3.221  -1.236  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.795   2.568   0.393  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.246   4.249   0.194  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.390   2.907   1.935  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.541   2.054   2.707  1.00  0.00           H  
CONECT    1    6    2    2   26                                       
CONECT    2    1    1    3   20                                       
CONECT    3    5    2   21   21                                       
CONECT    4   26   26   20   27                                       
CONECT    5   22    3   37                                            
CONECT    6   24   22    1                                            
CONECT    7    8   38   39   40                                       
CONECT    8   10    7    9                                            
CONECT    9    8   12   12                                            
CONECT   10   11   11    8   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11    9    9   13                                       
CONECT   13   12   16   16   14                                       
CONECT   14   13   15   15   43                                       
CONECT   15   14   14   18   44                                       
CONECT   16   13   13   17   45                                       
CONECT   17   16   18   18   46                                       
CONECT   18   17   17   15   19                                       
CONECT   19   18   20   47   48                                       
CONECT   20    2    4   19                                            
CONECT   21    3    3                                                 
CONECT   22   23   23    6    5                                       
CONECT   23   22   22                                                 
CONECT   24    6   25   49   50                                       
CONECT   25   24   51   52   53                                       
CONECT   26    1    4    4                                            
CONECT   27   28    4   54   55                                       
CONECT   28   36   36   29   27                                       
CONECT   29   30   30   28                                            
CONECT   30   35   31   29   29                                       
CONECT   31   32   30                                                 
CONECT   32   33   34   34   31                                       
CONECT   33   32   56   57   58                                       
CONECT   34   32   32   35   59                                       
CONECT   35   34   36   30                                            
CONECT   36   35   28   28   60                                       
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
