COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.615  -4.611   1.163  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.912  -2.224   2.178  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.766  -3.081   2.889  1.00  0.00           C  
HETATM    4  O   UNL     1      -9.253  -2.722   4.102  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.641  -0.646   1.404  1.00  0.00           C  
HETATM    6  O   UNL     1       8.897  -4.797  -3.401  1.00  0.00           O  
HETATM    7  C   UNL     1       8.545  -4.649  -2.243  1.00  0.00           C  
HETATM    8  N   UNL     1       8.646  -5.661  -1.354  1.00  0.00           N  
HETATM    9  C   UNL     1       8.254  -5.483  -0.060  1.00  0.00           C  
HETATM   10  N   UNL     1       8.369  -6.529   0.821  1.00  0.00           N  
HETATM   11  N   UNL     1       7.770  -4.338   0.367  1.00  0.00           N  
HETATM   12  C   UNL     1       7.640  -3.292  -0.456  1.00  0.00           C  
HETATM   13  C   UNL     1       8.025  -3.412  -1.796  1.00  0.00           C  
HETATM   14  N   UNL     1       7.791  -2.216  -2.391  1.00  0.00           N  
HETATM   15  C   UNL     1       7.293  -1.391  -1.517  1.00  0.00           C  
HETATM   16  N   UNL     1       7.183  -2.010  -0.306  1.00  0.00           N  
HETATM   17  C   UNL     1       6.669  -1.413   0.929  1.00  0.00           C  
HETATM   18  O   UNL     1       5.798  -0.302   0.626  1.00  0.00           O  
HETATM   19  C   UNL     1       7.823  -0.797   1.750  1.00  0.00           C  
HETATM   20  O   UNL     1       8.239  -1.695   2.781  1.00  0.00           O  
HETATM   21  C   UNL     1       7.210   0.484   2.358  1.00  0.00           C  
HETATM   22  O   UNL     1       7.226   0.418   3.785  1.00  0.00           O  
HETATM   23  C   UNL     1       5.758   0.491   1.833  1.00  0.00           C  
HETATM   24  C   UNL     1       5.312   1.920   1.517  1.00  0.00           C  
HETATM   25  O   UNL     1       3.932   1.917   1.145  1.00  0.00           O  
HETATM   26  P   UNL     1       3.129   3.254   0.745  1.00  0.00           P  
HETATM   27  O   UNL     1       3.841   3.948  -0.352  1.00  0.00           O  
HETATM   28  O   UNL     1       3.037   4.227   2.024  1.00  0.00           O  
HETATM   29  O   UNL     1       1.645   2.864   0.259  1.00  0.00           O  
HETATM   30  P   UNL     1       0.523   3.612  -0.622  1.00  0.00           P  
HETATM   31  O   UNL     1       1.063   3.895  -1.970  1.00  0.00           O  
HETATM   32 SE   UNL     1      -0.055   5.561   0.387  1.00  0.00          Se  
HETATM   33  O   UNL     1      -0.775   2.668  -0.750  1.00  0.00           O  
HETATM   34  P   UNL     1      -2.202   2.823  -1.479  1.00  0.00           P  
HETATM   35  O   UNL     1      -3.130   3.831  -0.632  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.004   3.363  -2.842  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.918   1.384  -1.570  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.153   1.171  -2.256  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.548  -0.303  -2.148  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.856  -0.629  -0.782  1.00  0.00           O  
HETATM   41  C   UNL     1      -5.817  -0.568  -2.982  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.555  -1.539  -3.997  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.838  -1.118  -1.957  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.587  -2.201  -2.511  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.863  -1.820  -3.029  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.912  -1.613  -0.811  1.00  0.00           C  
HETATM   47  N   UNL     1      -6.634  -1.634   0.463  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.386  -0.996   2.411  1.00  0.00           N1+
HETATM   49  C   UNL     1      -7.629  -0.185   3.606  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.432  -2.649   0.927  1.00  0.00           C  
HETATM   51  N   UNL     1      -7.804  -3.837   0.461  1.00  0.00           N  
HETATM   52  N   UNL     1      -8.979  -5.843   0.645  1.00  0.00           N  
HETATM   53  N   UNL     1      -9.086  -4.250   2.350  1.00  0.00           N  
HETATM   54  H   UNL     1      -8.695  -2.990   4.845  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.106   0.289   1.324  1.00  0.00           H  
HETATM   56  H   UNL     1       9.000  -6.519  -1.637  1.00  0.00           H  
HETATM   57  H   UNL     1       8.095  -6.417   1.745  1.00  0.00           H  
HETATM   58  H   UNL     1       8.724  -7.380   0.520  1.00  0.00           H  
HETATM   59  H   UNL     1       7.013  -0.368  -1.719  1.00  0.00           H  
HETATM   60  H   UNL     1       6.138  -2.161   1.519  1.00  0.00           H  
HETATM   61  H   UNL     1       8.663  -0.548   1.101  1.00  0.00           H  
HETATM   62  H   UNL     1       8.962  -1.358   3.328  1.00  0.00           H  
HETATM   63  H   UNL     1       7.746   1.367   2.009  1.00  0.00           H  
HETATM   64  H   UNL     1       8.113   0.351   4.166  1.00  0.00           H  
HETATM   65  H   UNL     1       5.088   0.038   2.564  1.00  0.00           H  
HETATM   66  H   UNL     1       5.449   2.546   2.398  1.00  0.00           H  
HETATM   67  H   UNL     1       5.909   2.313   0.695  1.00  0.00           H  
HETATM   68  H   UNL     1       2.581   3.837   2.783  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.585   5.041   1.759  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.302   3.540   0.274  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.930   1.789  -1.805  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.037   1.441  -3.305  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.733  -0.932  -2.505  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.181   0.358  -3.427  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.879  -1.270  -4.634  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.501  -0.327  -1.607  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.369  -2.698  -3.431  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.465  -1.388  -2.230  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.729  -1.083  -3.821  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.509  -2.600  -1.042  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.878  -0.418   4.362  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.567   0.872   3.347  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.621  -0.405   4.000  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.641  -6.124  -0.220  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.573  -6.423   1.146  1.00  0.00           H  
CONECT    1   53   52   51   51                                       
CONECT    2    3   48   50   50                                       
CONECT    3    4   53   53    2                                       
CONECT    4    3   54                                                 
CONECT    5   48   48   47   55                                       
CONECT    6    7    7                                                 
CONECT    7    8   13    6    6                                       
CONECT    8    9    7   56                                            
CONECT    9   10   11   11    8                                       
CONECT   10    9   57   58                                            
CONECT   11    9    9   12                                            
CONECT   12   11   16   13   13                                       
CONECT   13   12   12    7   14                                       
CONECT   14   13   15   15                                            
CONECT   15   16   14   14   59                                       
CONECT   16   17   12   15                                            
CONECT   17   19   18   16   60                                       
CONECT   18   23   17                                                 
CONECT   19   20   21   17   61                                       
CONECT   20   19   62                                                 
CONECT   21   22   19   23   63                                       
CONECT   22   21   64                                                 
CONECT   23   21   24   18   65                                       
CONECT   24   25   23   66   67                                       
CONECT   25   26   24                                                 
CONECT   26   29   25   27   27                                       
CONECT   26   28                                                      
CONECT   27   26   26                                                 
CONECT   28   26   68                                                 
CONECT   29   30   26                                                 
CONECT   30   32   33   31   31                                       
CONECT   30   29                                                      
CONECT   31   30   30                                                 
CONECT   32   30   69                                                 
CONECT   33   30   34                                                 
CONECT   34   36   36   33   37                                       
CONECT   34   35                                                      
CONECT   35   34   70                                                 
CONECT   36   34   34                                                 
CONECT   37   38   34                                                 
CONECT   38   39   37   71   72                                       
CONECT   39   41   40   38   73                                       
CONECT   40   46   39                                                 
CONECT   41   43   39   42   74                                       
CONECT   42   41   75                                                 
CONECT   43   44   46   41   76                                       
CONECT   44   45   43                                                 
CONECT   45   44   77   78   79                                       
CONECT   46   47   43   40   80                                       
CONECT   47   50    5   46                                            
CONECT   48   49    2    5    5                                       
CONECT   49   48   81   82   83                                       
CONECT   50    2    2   51   47                                       
CONECT   51    1    1   50                                            
CONECT   52    1   84   85                                            
CONECT   53    3    3    1                                            
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    8                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   15                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   28                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   39                                                      
CONECT   74   41                                                      
CONECT   75   42                                                      
CONECT   76   43                                                      
CONECT   77   45                                                      
CONECT   78   45                                                      
CONECT   79   45                                                      
CONECT   80   46                                                      
CONECT   81   49                                                      
CONECT   82   49                                                      
CONECT   83   49                                                      
CONECT   84   52                                                      
CONECT   85   52                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
