COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.086   0.749  -0.502  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.325   0.695  -1.125  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.170   1.656  -1.637  1.00  0.00           N  
HETATM    4  C   UNL     1      -5.907   3.098  -1.630  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.290   1.064  -2.152  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.216  -0.269  -1.998  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.945  -0.553  -1.329  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.314  -1.727  -0.907  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.097  -1.663  -0.295  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.469  -0.428  -0.094  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.148  -0.375   0.572  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.111   0.338   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.941  -1.049   1.802  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.925  -1.740   2.379  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.707  -2.358   3.519  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.457  -2.297   4.135  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.472  -1.622   3.586  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.669  -0.987   2.425  1.00  0.00           C  
HETATM   19  C   UNL     1       0.366  -0.259   1.816  1.00  0.00           C  
HETATM   20  C   UNL     1       0.140   0.394   0.623  1.00  0.00           C  
HETATM   21  N   UNL     1       1.175   1.115   0.025  1.00  0.00           N  
HETATM   22  C   UNL     1       1.969   1.966   0.797  1.00  0.00           C  
HETATM   23  C   UNL     1       1.534   2.380   2.049  1.00  0.00           C  
HETATM   24  C   UNL     1       2.325   3.217   2.812  1.00  0.00           C  
HETATM   25  C   UNL     1       3.549   3.643   2.330  1.00  0.00           C  
HETATM   26  C   UNL     1       3.985   3.234   1.083  1.00  0.00           C  
HETATM   27  C   UNL     1       3.200   2.396   0.315  1.00  0.00           C  
HETATM   28  S   UNL     1       3.760   1.869  -1.270  1.00  0.00           S  
HETATM   29  O   UNL     1       2.656   2.010  -2.153  1.00  0.00           O  
HETATM   30  O   UNL     1       5.013   2.503  -1.484  1.00  0.00           O  
HETATM   31  N   UNL     1       4.070   0.245  -1.165  1.00  0.00           N  
HETATM   32  C   UNL     1       2.968  -0.699  -0.966  1.00  0.00           C  
HETATM   33  C   UNL     1       3.464  -2.104  -1.191  1.00  0.00           C  
HETATM   34  C   UNL     1       3.979  -2.851  -0.143  1.00  0.00           C  
HETATM   35  N   UNL     1       4.406  -4.082  -0.378  1.00  0.00           N  
HETATM   36  C   UNL     1       4.345  -4.597  -1.590  1.00  0.00           C  
HETATM   37  N   UNL     1       3.862  -3.917  -2.610  1.00  0.00           N  
HETATM   38  C   UNL     1       3.412  -2.683  -2.449  1.00  0.00           C  
HETATM   39  H   UNL     1      -3.601   1.700  -0.340  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.379   3.375  -2.543  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.852   3.639  -1.578  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.295   3.352  -0.765  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.113   1.589  -2.614  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.954  -0.993  -2.309  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.791  -2.683  -1.064  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.610  -2.572   0.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.268   0.855  -0.933  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.506  -2.917   3.985  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.297  -2.810   5.072  1.00  0.00           H  
HETATM   50  H   UNL     1       1.338  -0.207   2.285  1.00  0.00           H  
HETATM   51  H   UNL     1       1.342   1.025  -0.926  1.00  0.00           H  
HETATM   52  H   UNL     1       0.578   2.047   2.426  1.00  0.00           H  
HETATM   53  H   UNL     1       1.987   3.539   3.786  1.00  0.00           H  
HETATM   54  H   UNL     1       4.165   4.298   2.928  1.00  0.00           H  
HETATM   55  H   UNL     1       4.942   3.569   0.709  1.00  0.00           H  
HETATM   56  H   UNL     1       4.981  -0.080  -1.235  1.00  0.00           H  
HETATM   57  H   UNL     1       2.589  -0.606   0.052  1.00  0.00           H  
HETATM   58  H   UNL     1       2.169  -0.479  -1.673  1.00  0.00           H  
HETATM   59  H   UNL     1       4.032  -2.435   0.852  1.00  0.00           H  
HETATM   60  H   UNL     1       4.701  -5.604  -1.751  1.00  0.00           H  
HETATM   61  H   UNL     1       3.013  -2.132  -3.288  1.00  0.00           H  
CONECT    1   10    2    2   39                                       
CONECT    2    1    1    7    3                                       
CONECT    3    2    5    4                                            
CONECT    4    3   40   41   42                                       
CONECT    5    6    6    3   43                                       
CONECT    6    7    5    5   44                                       
CONECT    7    8    8    2    6                                       
CONECT    8    9    7    7   45                                       
CONECT    9   10   10    8   46                                       
CONECT   10   11    9    9    1                                       
CONECT   11   12   12   13   10                                       
CONECT   12   20   11   11   47                                       
CONECT   13   18   11   14   14                                       
CONECT   14   13   13   15                                            
CONECT   15   16   16   14   48                                       
CONECT   16   17   15   15   49                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   13                                       
CONECT   19   20   20   18   50                                       
CONECT   20   21   19   19   12                                       
CONECT   21   22   20   51                                            
CONECT   22   23   23   27   21                                       
CONECT   23   24   22   22   52                                       
CONECT   24   25   25   23   53                                       
CONECT   25   24   24   26   54                                       
CONECT   26   25   27   27   55                                       
CONECT   27   26   26   22   28                                       
CONECT   28   27   29   29   30                                       
CONECT   28   30   31                                                 
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32   56                                            
CONECT   32   31   33   57   58                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   59                                       
CONECT   35   34   36   36                                            
CONECT   36   35   35   37   60                                       
CONECT   37   38   38   36                                            
CONECT   38   33   37   37   61                                       
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   36                                                      
CONECT   61   38                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
