COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.366   2.238   2.601  1.00  0.00           O  
HETATM    2  C   UNL     1      11.444   1.039   2.420  1.00  0.00           C  
HETATM    3  N   UNL     1      12.490   0.349   2.917  1.00  0.00           N  
HETATM    4  C   UNL     1      10.392   0.337   1.654  1.00  0.00           C  
HETATM    5  C   UNL     1      10.471  -1.044   1.437  1.00  0.00           C  
HETATM    6  C   UNL     1       9.460  -1.653   0.714  1.00  0.00           C  
HETATM    7  C   UNL     1       8.415  -0.885   0.232  1.00  0.00           C  
HETATM    8  C   UNL     1       9.302   1.039   1.139  1.00  0.00           C  
HETATM    9  N   UNL     1       8.368   0.415   0.451  1.00  0.00           N1+
HETATM   10  C   UNL     1       7.241   1.186  -0.081  1.00  0.00           C  
HETATM   11  C   UNL     1       7.438   1.455  -1.589  1.00  0.00           C  
HETATM   12  O   UNL     1       7.965   2.765  -1.806  1.00  0.00           O  
HETATM   13  C   UNL     1       6.012   1.340  -2.178  1.00  0.00           C  
HETATM   14  O   UNL     1       5.615   2.577  -2.774  1.00  0.00           O  
HETATM   15  O   UNL     1       6.022   0.417   0.004  1.00  0.00           O  
HETATM   16  C   UNL     1       5.125   1.019  -0.955  1.00  0.00           C  
HETATM   17  C   UNL     1       4.018   0.036  -1.340  1.00  0.00           C  
HETATM   18  O   UNL     1       3.185  -0.212  -0.205  1.00  0.00           O  
HETATM   19  P   UNL     1       2.049  -1.249  -0.680  1.00  0.00           P  
HETATM   20  O   UNL     1       2.732  -2.655  -1.064  1.00  0.00           O  
HETATM   21  O   UNL     1       1.346  -0.703  -1.863  1.00  0.00           O  
HETATM   22  O   UNL     1       0.994  -1.473   0.515  1.00  0.00           O  
HETATM   23  P   UNL     1      -0.300  -2.179  -0.133  1.00  0.00           P  
HETATM   24  O   UNL     1      -0.020  -3.754  -0.312  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.582  -1.574  -1.454  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.569  -1.966   0.836  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.703  -2.507   0.156  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.949  -2.336   1.027  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.265  -0.940   1.159  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.704  -0.837   1.222  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.186  -1.874   0.176  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.508  -2.327   0.478  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.156  -3.020   0.355  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.689  -4.046   1.195  1.00  0.00           O  
HETATM   35  N   UNL     1      -6.142   0.512   0.856  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.671   1.258  -0.184  1.00  0.00           C  
HETATM   37  I   UNL     1      -4.186   0.645  -1.529  1.00  0.00           I  
HETATM   38  N   UNL     1      -6.281   2.408  -0.218  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.179   2.472   0.795  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.097   3.437   1.242  1.00  0.00           C  
HETATM   41  N   UNL     1      -8.219   4.653   0.592  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.105   1.254   1.492  1.00  0.00           C  
HETATM   43  N   UNL     1      -7.890   1.065   2.547  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.736   1.998   2.930  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.845   3.156   2.304  1.00  0.00           N  
HETATM   46  H   UNL     1      13.180   0.809   3.419  1.00  0.00           H  
HETATM   47  H   UNL     1      12.550  -0.609   2.775  1.00  0.00           H  
HETATM   48  H   UNL     1      11.298  -1.619   1.825  1.00  0.00           H  
HETATM   49  H   UNL     1       9.488  -2.716   0.527  1.00  0.00           H  
HETATM   50  H   UNL     1       7.625  -1.357  -0.333  1.00  0.00           H  
HETATM   51  H   UNL     1       9.229   2.105   1.297  1.00  0.00           H  
HETATM   52  H   UNL     1       7.136   2.125   0.462  1.00  0.00           H  
HETATM   53  H   UNL     1       8.094   0.703  -2.027  1.00  0.00           H  
HETATM   54  H   UNL     1       8.007   2.895  -2.763  1.00  0.00           H  
HETATM   55  H   UNL     1       5.963   0.532  -2.908  1.00  0.00           H  
HETATM   56  H   UNL     1       6.201   2.724  -3.529  1.00  0.00           H  
HETATM   57  H   UNL     1       4.694   1.934  -0.548  1.00  0.00           H  
HETATM   58  H   UNL     1       3.419   0.461  -2.145  1.00  0.00           H  
HETATM   59  H   UNL     1       4.464  -0.901  -1.674  1.00  0.00           H  
HETATM   60  H   UNL     1       3.178  -2.976  -0.268  1.00  0.00           H  
HETATM   61  H   UNL     1       0.158  -4.108   0.570  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.845  -1.982  -0.789  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.539  -3.567  -0.039  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.776  -2.772   2.011  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.064  -1.100   2.217  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.140  -1.461  -0.831  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.748  -2.966  -0.206  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.871  -3.431  -0.613  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.474  -4.393   0.749  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.667   4.846  -0.182  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.856   5.311   0.910  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.363   1.811   3.789  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   46   47                                            
CONECT    4    2    5    5    8                                       
CONECT    5    4    4    6   48                                       
CONECT    6    5    7    7   49                                       
CONECT    7    6    6    9   50                                       
CONECT    8    4    9    9   51                                       
CONECT    9    7    8    8   10                                       
CONECT   10    9   11   15   52                                       
CONECT   11   10   12   13   53                                       
CONECT   12   11   54                                                 
CONECT   13   11   14   16   55                                       
CONECT   14   13   56                                                 
CONECT   15   10   16                                                 
CONECT   16   13   15   17   57                                       
CONECT   17   16   18   58   59                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   21   21                                       
CONECT   19   22                                                      
CONECT   20   19   60                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   25   25                                       
CONECT   23   26                                                      
CONECT   24   23   61                                                 
CONECT   25   23   23                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   62   63                                       
CONECT   28   27   29   33   64                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   35   65                                       
CONECT   31   30   32   33   66                                       
CONECT   32   31   67                                                 
CONECT   33   28   31   34   68                                       
CONECT   34   33   69                                                 
CONECT   35   30   36   42                                            
CONECT   36   35   37   38   38                                       
CONECT   37   36                                                      
CONECT   38   36   36   39                                            
CONECT   39   38   40   40   42                                       
CONECT   40   39   39   41   45                                       
CONECT   41   40   70   71                                            
CONECT   42   35   39   43   43                                       
CONECT   43   42   42   44                                            
CONECT   44   43   45   45   72                                       
CONECT   45   40   44   44                                            
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   41                                                      
CONECT   71   41                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
