COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.970  -4.009  -0.961  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.187  -3.060  -0.091  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.687  -2.016   0.269  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.931  -3.372   0.286  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.170  -2.449   1.132  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.807  -3.029   1.408  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.501  -4.107   0.943  1.00  0.00           O  
HETATM    8  N   UNL     1       0.073  -2.350   2.170  1.00  0.00           N  
HETATM    9  C   UNL     1       1.410  -2.899   2.452  1.00  0.00           C  
HETATM   10  N   UNL     1       2.403  -1.852   2.161  1.00  0.00           N  
HETATM   11  C   UNL     1       3.477  -2.114   1.390  1.00  0.00           C  
HETATM   12  O   UNL     1       3.635  -3.224   0.926  1.00  0.00           O  
HETATM   13  C   UNL     1       4.482  -1.029   1.105  1.00  0.00           C  
HETATM   14  N   UNL     1       5.547  -1.561   0.251  1.00  0.00           N  
HETATM   15  C   UNL     1       6.563  -0.764  -0.136  1.00  0.00           C  
HETATM   16  C   UNL     1       7.658  -1.312  -1.014  1.00  0.00           C  
HETATM   17  O   UNL     1       6.595   0.394   0.223  1.00  0.00           O  
HETATM   18  C   UNL     1       2.193  -0.513   2.733  1.00  0.00           C  
HETATM   19  N   UNL     1       0.812  -0.101   2.436  1.00  0.00           N  
HETATM   20  C   UNL     1       0.552   1.107   1.896  1.00  0.00           C  
HETATM   21  O   UNL     1       1.462   1.869   1.648  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.870   1.509   1.599  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.886   2.855   1.021  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.057   3.425   0.674  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.073   4.810   0.079  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.097   2.825   0.840  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.276  -1.038   2.738  1.00  0.00           C  
HETATM   28  H   UNL     1      -4.441  -4.159  -1.903  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.078  -4.966  -0.450  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.531  -4.207  -0.002  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.061  -1.493   0.620  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.698  -2.300   2.073  1.00  0.00           H  
HETATM   33  H   UNL     1       1.475  -3.188   3.501  1.00  0.00           H  
HETATM   34  H   UNL     1       1.592  -3.766   1.818  1.00  0.00           H  
HETATM   35  H   UNL     1       3.989  -0.201   0.596  1.00  0.00           H  
HETATM   36  H   UNL     1       4.911  -0.675   2.042  1.00  0.00           H  
HETATM   37  H   UNL     1       5.521  -2.487  -0.036  1.00  0.00           H  
HETATM   38  H   UNL     1       8.152  -2.140  -0.505  1.00  0.00           H  
HETATM   39  H   UNL     1       7.229  -1.666  -1.952  1.00  0.00           H  
HETATM   40  H   UNL     1       2.343  -0.546   3.812  1.00  0.00           H  
HETATM   41  H   UNL     1       2.893   0.192   2.286  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.307   0.804   0.891  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.449   1.503   2.522  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.054   3.335   0.888  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.636   5.515   0.787  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.494   4.816  -0.844  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.204  -0.679   2.293  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.394  -1.124   3.818  1.00  0.00           H  
HETATM   49  I   UNL     1      -6.926  -3.177  -1.357  1.00  0.00           I  
HETATM   50  I   UNL     1      -4.113   5.387  -0.347  1.00  0.00           I  
HETATM   51  I   UNL     1       9.101   0.246  -1.424  1.00  0.00           I  
CONECT    1    2   28   29   49                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   30                                            
CONECT    5    4    6   31   32                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   27                                            
CONECT    9    8   10   33   34                                       
CONECT   10    9   11   18                                            
CONECT   11   13   10   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   35   36                                       
CONECT   14   13   15   37                                            
CONECT   15   17   17   14   16                                       
CONECT   16   15   38   39   51                                       
CONECT   17   15   15                                                 
CONECT   18   10   19   40   41                                       
CONECT   19   27   20   18                                            
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   42   43                                       
CONECT   23   22   24   44                                            
CONECT   24   23   25   26   26                                       
CONECT   25   24   45   46   50                                       
CONECT   26   24   24                                                 
CONECT   27    8   19   47   48                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49    1                                                      
CONECT   50   25                                                      
CONECT   51   16                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
