COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.484  -0.395  -8.507  1.00  0.00           N  
HETATM    2  CA  UNL     1       1.042  -0.227  -8.736  1.00  0.00           C  
HETATM    3  C   UNL     1       0.824   0.718  -9.889  1.00  0.00           C  
HETATM    4  O   UNL     1       1.627   1.592 -10.114  1.00  0.00           O  
HETATM    5  OXT UNL     1      -0.262   0.589 -10.665  1.00  0.00           O  
HETATM    6  C   UNL     1       0.389   0.344  -7.476  1.00  0.00           C  
HETATM    7  C   UNL     1       0.611  -0.615  -6.306  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.031  -0.052  -5.065  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.610   1.012  -5.112  1.00  0.00           O  
HETATM   10  N   UNL     1       0.036  -0.731  -3.903  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.589  -0.184  -2.696  1.00  0.00           C  
HETATM   12  C   UNL     1       0.176  -0.641  -1.482  1.00  0.00           C  
HETATM   13  O   UNL     1       1.148  -1.355  -1.611  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.034  -0.675  -2.603  1.00  0.00           C  
HETATM   15  S   UNL     1      -2.956  -0.124  -4.065  1.00  0.00           S  
HETATM   16  N   UNL     1      -0.219  -0.258  -0.252  1.00  0.00           N  
HETATM   17  C   UNL     1       0.524  -0.703   0.928  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.118  -0.140   2.169  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.101   0.563   2.076  1.00  0.00           O  
HETATM   20  N   UNL     1       0.398  -0.418   3.382  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.226   0.129   4.588  1.00  0.00           C  
HETATM   22  C   UNL     1       0.550  -0.335   5.822  1.00  0.00           C  
HETATM   23  N   UNL     1       0.643  -0.209   8.266  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.102   0.236   7.082  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.031   0.370   9.434  1.00  0.00           C  
HETATM   26  C   UNL     1       0.697  -0.056  10.709  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.005   0.548  11.926  1.00  0.00           C  
HETATM   28  C   UNL     1       0.723   0.121  13.201  1.00  0.00           C  
HETATM   29  N   UNL     1       0.048   0.702  14.369  1.00  0.00           N  
HETATM   30  H1  UNL     1       2.852   0.519  -8.295  1.00  0.00           H  
HETATM   31  H2  UNL     1       2.582  -0.948  -7.669  1.00  0.00           H  
HETATM   32  HA  UNL     1       0.596  -1.194  -8.969  1.00  0.00           H  
HETATM   33  HXT UNL     1      -0.403   1.196 -11.405  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.679   0.469  -7.646  1.00  0.00           H  
HETATM   35  H   UNL     1       0.835   1.311  -7.242  1.00  0.00           H  
HETATM   36  H   UNL     1       1.681  -0.740  -6.136  1.00  0.00           H  
HETATM   37  H   UNL     1       0.165  -1.582  -6.539  1.00  0.00           H  
HETATM   38  H   UNL     1       0.499  -1.583  -3.865  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.577   0.904  -2.744  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.045  -1.764  -2.556  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.500  -0.268  -1.706  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.164  -0.647  -3.791  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.996   0.312  -0.148  1.00  0.00           H  
HETATM   44  H   UNL     1       1.554  -0.353   0.862  1.00  0.00           H  
HETATM   45  H   UNL     1       0.513  -1.792   0.976  1.00  0.00           H  
HETATM   46  H   UNL     1       1.185  -0.981   3.456  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.256  -0.221   4.655  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.215   1.218   4.541  1.00  0.00           H  
HETATM   49  H   UNL     1       1.580   0.014   5.755  1.00  0.00           H  
HETATM   50  H   UNL     1       0.539  -1.424   5.869  1.00  0.00           H  
HETATM   51  H   UNL     1       1.554   0.220   8.214  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.132  -0.114   7.148  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.091   1.325   7.034  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.062   0.018   9.470  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.021   1.458   9.356  1.00  0.00           H  
HETATM   56  H   UNL     1       1.728   0.295  10.673  1.00  0.00           H  
HETATM   57  H   UNL     1       0.687  -1.143  10.787  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.036   0.196  11.962  1.00  0.00           H  
HETATM   59  H   UNL     1       0.004   1.636  11.848  1.00  0.00           H  
HETATM   60  H   UNL     1       1.754   0.473  13.165  1.00  0.00           H  
HETATM   61  H   UNL     1       0.713  -0.965  13.279  1.00  0.00           H  
HETATM   62  H   UNL     1       0.560   0.396  15.183  1.00  0.00           H  
HETATM   63  H   UNL     1       0.171   1.702  14.308  1.00  0.00           H  
CONECT    1    2   30   31                                            
CONECT    2    1    3    6   32                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   33                                                 
CONECT    6    2    7   34   35                                       
CONECT    7    6    8   36   37                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   38                                            
CONECT   11   10   12   14   39                                       
CONECT   12   11   13   13   16                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   40   41                                       
CONECT   15   14   42                                                 
CONECT   16   12   17   43                                            
CONECT   17   16   18   44   45                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   46                                            
CONECT   21   20   22   47   48                                       
CONECT   22   21   24   49   50                                       
CONECT   23   24   25   51                                            
CONECT   24   22   23   52   53                                       
CONECT   25   23   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   27   29   60   61                                       
CONECT   29   28   62   63                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
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                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
