COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.801   2.725   2.283  1.00  0.00           N  
HETATM    2  C   UNL     1       1.112  -0.763  -0.219  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.190  -0.107  -0.423  1.00  0.00           C  
HETATM    4  N   UNL     1       4.605  -1.274   0.366  1.00  0.00           N  
HETATM    5  C   UNL     1       0.110  -0.016  -2.823  1.00  0.00           C  
HETATM    6  O   UNL     1       0.855   4.966   2.221  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.879   2.992   1.758  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.810  -0.193  -0.945  1.00  0.00           O  
HETATM    9  C   UNL     1       3.417  -1.925   0.142  1.00  0.00           C  
HETATM   10  C   UNL     1       2.151  -1.286  -0.056  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.119   0.766  -1.602  1.00  0.00           N  
HETATM   12  C   UNL     1       4.799   0.176   0.444  1.00  0.00           C  
HETATM   13  O   UNL     1       0.761   2.070  -3.704  1.00  0.00           O  
HETATM   14  C   UNL     1       3.700   2.175   0.842  1.00  0.00           C  
HETATM   15  O   UNL     1       0.708   0.424  -5.178  1.00  0.00           O  
HETATM   16  C   UNL     1       2.257   2.682   0.891  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.745  -1.092   0.129  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.233   3.335   1.174  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.107   3.887   1.939  1.00  0.00           C  
HETATM   20  O   UNL     1       0.336   3.433   4.092  1.00  0.00           O  
HETATM   21  C   UNL     1       0.550   0.903  -3.934  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.330   1.588  -1.722  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.525   0.690  -2.051  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.180  -0.610  -1.133  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.321  -0.760   1.382  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.982  -2.128   1.651  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.014  -2.978   2.084  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.559  -3.385  -0.121  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.801  -1.957   0.268  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.918   0.664  -1.601  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.805   1.539  -2.219  1.00  0.00           C  
HETATM   32  C   UNL     1       4.929  -3.473   0.358  1.00  0.00           C  
HETATM   33  C   UNL     1       5.705  -4.642   0.456  1.00  0.00           C  
HETATM   34  C   UNL     1       7.570  -3.332   0.822  1.00  0.00           C  
HETATM   35  C   UNL     1       5.576  -2.233   0.509  1.00  0.00           C  
HETATM   36  C   UNL     1       4.641   0.824  -0.955  1.00  0.00           C  
HETATM   37  C   UNL     1       4.242   2.276  -0.597  1.00  0.00           C  
HETATM   38  N   UNL     1       5.126  -5.891   0.315  1.00  0.00           N  
HETATM   39  N   UNL     1       7.008  -4.520   0.686  1.00  0.00           N  
HETATM   40  N   UNL     1       6.885  -2.212   0.738  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.050  -1.366   2.273  1.00  0.00           N  
HETATM   42  N   UNL     1      -7.240  -3.185   3.434  1.00  0.00           N  
HETATM   43  N   UNL     1      -7.767  -3.577   1.168  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.605  -2.598  -0.573  1.00  0.00           N  
HETATM   45  N   UNL     1       3.620  -3.221   0.137  1.00  0.00           N  
HETATM   46  O   UNL     1       3.747   0.789   1.220  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.903   0.339  -2.585  1.00  0.00           O  
HETATM   48  O   UNL     1      -4.067   1.781  -3.603  1.00  0.00           O  
HETATM   49  O   UNL     1       5.876   0.797  -1.673  1.00  0.00           O  
HETATM   50  O   UNL     1       5.384   3.134  -0.642  1.00  0.00           O  
HETATM   51  S   UNL     1       0.511   3.674   2.703  1.00  0.00           S  
HETATM   52  H   UNL     1       2.253   2.194   2.957  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.958  -0.865  -0.577  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.438   0.488   0.456  1.00  0.00           H  
HETATM   55  H   UNL     1       0.885  -0.760  -2.639  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.813  -0.518  -3.112  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.106   1.988   2.119  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.614   2.947   0.702  1.00  0.00           H  
HETATM   59  H   UNL     1       5.776   0.410   0.866  1.00  0.00           H  
HETATM   60  H   UNL     1       4.322   2.765   1.515  1.00  0.00           H  
HETATM   61  H   UNL     1       0.991   1.052  -5.857  1.00  0.00           H  
HETATM   62  H   UNL     1       1.616   2.011   0.319  1.00  0.00           H  
HETATM   63  H   UNL     1       2.209   3.683   0.462  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.421   2.381   1.445  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.056   3.909   1.277  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.372   3.932   2.995  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.881   4.891   1.579  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.513   2.106  -0.780  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.195   2.320  -2.518  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.328   0.115  -2.955  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.238  -1.386  -1.896  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.501  -0.093   1.602  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.195  -3.892  -0.832  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.378   1.172  -0.753  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.713   2.480  -1.676  1.00  0.00           H  
HETATM   76  H   UNL     1       8.633  -3.279   1.008  1.00  0.00           H  
HETATM   77  H   UNL     1       3.851   0.333  -1.524  1.00  0.00           H  
HETATM   78  H   UNL     1       3.466   2.637  -1.273  1.00  0.00           H  
HETATM   79  H   UNL     1       5.671  -6.690   0.384  1.00  0.00           H  
HETATM   80  H   UNL     1       4.173  -5.967   0.147  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.683  -2.741   4.093  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.956  -3.774   3.721  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.356   1.108  -2.957  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.892   2.258  -3.769  1.00  0.00           H  
HETATM   85  H   UNL     1       5.828   1.191  -2.555  1.00  0.00           H  
HETATM   86  H   UNL     1       5.766   3.234  -1.525  1.00  0.00           H  
CONECT    1   51   16   52                                            
CONECT    2   10   10   10    3                                       
CONECT    3   11    2   53   54                                       
CONECT    4    9   35   12                                            
CONECT    5   11   21   55   56                                       
CONECT    6   51   51                                                 
CONECT    7   19   51   57   58                                       
CONECT    8   24   23                                                 
CONECT    9   45   45   10    4                                       
CONECT   10    9    2    2    2                                       
CONECT   11   22    5    3                                            
CONECT   12   46    4   36   59                                       
CONECT   13   21   21                                                 
CONECT   14   46   16   37   60                                       
CONECT   15   21   61                                                 
CONECT   16    1   14   62   63                                       
CONECT   17   25   29   24                                            
CONECT   18   19   64   65                                            
CONECT   19   18    7   66   67                                       
CONECT   20   51   51                                                 
CONECT   21   13   13    5   15                                       
CONECT   22   23   11   68   69                                       
CONECT   23   31    8   22   70                                       
CONECT   24   30   17    8   71                                       
CONECT   25   41   41   17   72                                       
CONECT   26   41   27   27   29                                       
CONECT   27   42   26   26   43                                       
CONECT   28   43   43   44   73                                       
CONECT   29   26   17   44   44                                       
CONECT   30   47   31   24   74                                       
CONECT   31   30   48   23   75                                       
CONECT   32   33   45   35   35                                       
CONECT   33   38   39   39   32                                       
CONECT   34   39   40   40   76                                       
CONECT   35   32   32   40    4                                       
CONECT   36   12   37   49   77                                       
CONECT   37   14   36   50   78                                       
CONECT   38   33   79   80                                            
CONECT   39   33   33   34                                            
CONECT   40   34   34   35                                            
CONECT   41   26   25   25                                            
CONECT   42   27   81   82                                            
CONECT   43   27   28   28                                            
CONECT   44   29   29   28                                            
CONECT   45   32    9    9                                            
CONECT   46   14   12                                                 
CONECT   47   30   83                                                 
CONECT   48   31   84                                                 
CONECT   49   36   85                                                 
CONECT   50   37   86                                                 
CONECT   51    6    6    7   20                                       
CONECT   51   20    1                                                 
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59   12                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   34                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
CONECT   85   49                                                      
CONECT   86   50                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
