COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.144   1.722  -0.548  1.00  0.00           O  
HETATM    2  C   UNL     1       4.664   0.602  -0.513  1.00  0.00           C  
HETATM    3  N   UNL     1       5.273  -0.391   0.171  1.00  0.00           N  
HETATM    4  C   UNL     1       4.724  -1.638   0.208  1.00  0.00           C  
HETATM    5  N   UNL     1       5.365  -2.628   0.911  1.00  0.00           N  
HETATM    6  N   UNL     1       3.599  -1.921  -0.409  1.00  0.00           N  
HETATM    7  C   UNL     1       2.940  -0.988  -1.106  1.00  0.00           C  
HETATM    8  C   UNL     1       3.452   0.312  -1.182  1.00  0.00           C  
HETATM    9  N   UNL     1       2.593   1.040  -1.936  1.00  0.00           N  
HETATM   10  C   UNL     1       1.610   0.280  -2.323  1.00  0.00           C  
HETATM   11  N   UNL     1       1.780  -0.982  -1.833  1.00  0.00           N  
HETATM   12  C   UNL     1       0.885  -2.122  -2.045  1.00  0.00           C  
HETATM   13  O   UNL     1       0.121  -1.925  -3.238  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.279  -2.067  -3.010  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.974  -0.713  -3.185  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.145  -0.104  -1.907  1.00  0.00           O  
HETATM   17  P   UNL     1      -3.353   0.891  -1.545  1.00  0.00           P  
HETATM   18  O   UNL     1      -3.276   1.272   0.021  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.758   0.168  -1.854  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.241   2.122  -2.360  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.466  -2.546  -1.556  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.733  -3.949  -1.522  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.111  -2.231  -0.875  1.00  0.00           C  
HETATM   24  O   UNL     1       0.252  -3.285   0.015  1.00  0.00           O  
HETATM   25  P   UNL     1      -0.051  -3.203   1.599  1.00  0.00           P  
HETATM   26  O   UNL     1       1.333  -3.286   2.417  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.928  -4.327   1.994  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.783  -1.808   1.920  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.212  -1.409   3.219  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.363  -0.409   3.077  1.00  0.00           C  
HETATM   31  O   UNL     1      -1.872   0.919   3.241  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.942  -0.516   1.651  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.366  -0.407   1.679  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.320   0.688   0.900  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.921   1.667   2.021  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.604   2.242   1.735  1.00  0.00           N  
HETATM   37  C   UNL     1       0.594   1.779   2.189  1.00  0.00           C  
HETATM   38  N   UNL     1       1.559   2.529   1.742  1.00  0.00           N  
HETATM   39  C   UNL     1       1.042   3.519   0.975  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.351   3.343   0.957  1.00  0.00           C  
HETATM   41  N   UNL     1      -1.100   4.192   0.260  1.00  0.00           N  
HETATM   42  C   UNL     1      -0.547   5.182  -0.408  1.00  0.00           C  
HETATM   43  N   UNL     1       0.758   5.385  -0.423  1.00  0.00           N  
HETATM   44  C   UNL     1       1.586   4.594   0.251  1.00  0.00           C  
HETATM   45  N   UNL     1       2.952   4.813   0.228  1.00  0.00           N  
HETATM   46  H   UNL     1       6.106  -0.216   0.638  1.00  0.00           H  
HETATM   47  H   UNL     1       4.987  -3.520   0.947  1.00  0.00           H  
HETATM   48  H   UNL     1       6.196  -2.434   1.372  1.00  0.00           H  
HETATM   49  H   UNL     1       0.781   0.602  -2.936  1.00  0.00           H  
HETATM   50  H   UNL     1       1.467  -3.040  -2.125  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.701  -2.798  -3.696  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.362  -0.069  -3.816  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.948  -0.862  -3.652  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.871  -0.093  -2.779  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.272  -1.993  -1.073  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.542  -4.207  -1.984  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.175  -1.284  -0.346  1.00  0.00           H  
HETATM   58  H   UNL     1       1.226  -3.234   3.377  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.554  -2.283   3.774  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.383  -0.939   3.749  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.142  -0.620   3.807  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.641  -1.456   1.187  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.804  -1.103   2.188  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.440   0.363   0.351  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.664   2.460   2.103  1.00  0.00           H  
HETATM   66  H   UNL     1       0.724   0.916   2.827  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.184   5.854  -0.965  1.00  0.00           H  
HETATM   68  H   UNL     1       3.546   4.222   0.715  1.00  0.00           H  
HETATM   69  H   UNL     1       3.315   5.558  -0.276  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    8    1    1                                       
CONECT    3    4    2   46                                            
CONECT    4    5    6    6    3                                       
CONECT    5    4   47   48                                            
CONECT    6    4    4    7                                            
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    2    9                                       
CONECT    9    8   10   10                                            
CONECT   10   11    9    9   49                                       
CONECT   11    7   12   10                                            
CONECT   12   23   11   13   50                                       
CONECT   13   12   14                                                 
CONECT   14   21   13   15   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   20   20                                       
CONECT   17   19                                                      
CONECT   18   34   17                                                 
CONECT   19   17   54                                                 
CONECT   20   17   17                                                 
CONECT   21   22   23   14   55                                       
CONECT   22   21   56                                                 
CONECT   23   24   21   12   57                                       
CONECT   24   25   23                                                 
CONECT   25   27   27   26   28                                       
CONECT   25   24                                                      
CONECT   26   25   58                                                 
CONECT   27   25   25                                                 
CONECT   28   29   25                                                 
CONECT   29   30   28   59   60                                       
CONECT   30   29   31   32   61                                       
CONECT   31   30   35                                                 
CONECT   32   30   33   34   62                                       
CONECT   33   32   63                                                 
CONECT   34   35   32   18   64                                       
CONECT   35   31   36   34   65                                       
CONECT   36   37   35   40                                            
CONECT   37   38   38   36   66                                       
CONECT   38   37   37   39                                            
CONECT   39   38   40   40   44                                       
CONECT   40   36   39   39   41                                       
CONECT   41   40   42   42                                            
CONECT   42   41   41   43   67                                       
CONECT   43   44   44   42                                            
CONECT   44   39   45   43   43                                       
CONECT   45   44   68   69                                            
CONECT   46    3                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   37                                                      
CONECT   67   42                                                      
CONECT   68   45                                                      
CONECT   69   45                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
