COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.029   1.196   0.489  1.00  0.00           C  
HETATM    2  C   UNL     1       3.288   1.233  -0.343  1.00  0.00           C  
HETATM    3  C   UNL     1       4.098   2.494  -0.172  1.00  0.00           C  
HETATM    4  C   UNL     1       2.253   3.460   0.907  1.00  0.00           C  
HETATM    5  C   UNL     1       2.051  -1.189   0.382  1.00  0.00           C  
HETATM    6  C   UNL     1       3.311  -1.219  -0.196  1.00  0.00           C  
HETATM    7  C   UNL     1       1.422  -2.385   0.720  1.00  0.00           C  
HETATM    8  C   UNL     1       2.061  -3.589   0.505  1.00  0.00           C  
HETATM    9  C   UNL     1       3.329  -3.611  -0.045  1.00  0.00           C  
HETATM   10  C   UNL     1       3.953  -2.428  -0.395  1.00  0.00           C  
HETATM   11  C   UNL     1       4.033  -4.926  -0.264  1.00  0.00           C  
HETATM   12  C   UNL     1       1.376  -4.880   0.871  1.00  0.00           C  
HETATM   13  C   UNL     1       0.085  -0.009   1.312  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.970   0.037   0.205  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.366   0.013   0.830  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.421   0.058  -0.277  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.818   0.034   0.348  1.00  0.00           C  
HETATM   18  C   UNL     1       5.336  -0.068  -0.673  1.00  0.00           C  
HETATM   19  C   UNL     1       6.051   0.150  -1.981  1.00  0.00           C  
HETATM   20  N   UNL     1       3.506   3.546   0.436  1.00  0.00           N  
HETATM   21  N   UNL     1       1.571   2.313   0.993  1.00  0.00           N  
HETATM   22  N   UNL     1       1.422   0.015   0.713  1.00  0.00           N  
HETATM   23  N   UNL     1       3.940  -0.040  -0.626  1.00  0.00           N1+
HETATM   24  O   UNL     1       5.243   2.562  -0.567  1.00  0.00           O  
HETATM   25  O   UNL     1       1.707   4.483   1.277  1.00  0.00           O  
HETATM   26  O   UNL     1       3.224   0.706  -1.672  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.801  -0.041  -0.686  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.810   1.236  -0.557  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.262   1.257  -1.038  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.526  -1.186   1.591  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.841   1.303   0.286  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.182  -0.299  -1.770  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.682  -1.204   0.532  1.00  0.00           O  
HETATM   34  O   UNL     1       5.970  -0.267   0.336  1.00  0.00           O  
HETATM   35  P   UNL     1      -7.383  -0.085  -0.389  1.00  0.00           P  
HETATM   36  H   UNL     1       0.431  -2.370   1.151  1.00  0.00           H  
HETATM   37  H   UNL     1       4.944  -2.447  -0.825  1.00  0.00           H  
HETATM   38  H   UNL     1       3.794  -5.305  -1.257  1.00  0.00           H  
HETATM   39  H   UNL     1       5.110  -4.780  -0.180  1.00  0.00           H  
HETATM   40  H   UNL     1       3.704  -5.643   0.488  1.00  0.00           H  
HETATM   41  H   UNL     1       0.802  -5.242   0.018  1.00  0.00           H  
HETATM   42  H   UNL     1       2.125  -5.623   1.146  1.00  0.00           H  
HETATM   43  H   UNL     1       0.707  -4.710   1.715  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.036   0.856   1.965  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.037  -0.923   1.892  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.849  -0.827  -0.448  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.487   0.877   1.483  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.301  -0.806  -0.930  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.909  -0.835   1.000  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.971   0.942   0.931  1.00  0.00           H  
HETATM   51  H   UNL     1       5.499   0.873  -2.582  1.00  0.00           H  
HETATM   52  H   UNL     1       7.055   0.529  -1.788  1.00  0.00           H  
HETATM   53  H   UNL     1       6.118  -0.795  -2.521  1.00  0.00           H  
HETATM   54  H   UNL     1       3.996   4.377   0.534  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.905   2.047  -0.038  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.356   2.068  -0.520  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.431  -1.997   1.073  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.676   2.082  -0.263  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.143  -0.335  -1.668  1.00  0.00           H  
CONECT    1   21   21   22    2                                       
CONECT    2    1    3   23   26                                       
CONECT    3   20    2   24   24                                       
CONECT    4   25   25   21   20                                       
CONECT    5   22    7    6    6                                       
CONECT    6    5    5   23   10                                       
CONECT    7    5    8    8   36                                       
CONECT    8    7    7   12    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    6    9    9   37                                       
CONECT   11    9   38   39   40                                       
CONECT   12    8   41   42   43                                       
CONECT   13   14   22   44   45                                       
CONECT   14   28   15   13   46                                       
CONECT   15   30   14   16   47                                       
CONECT   16   15   17   29   48                                       
CONECT   17   16   27   49   50                                       
CONECT   18   34   34   23   19                                       
CONECT   19   18   51   52   53                                       
CONECT   20    4    3   54                                            
CONECT   21    4    1    1                                            
CONECT   22   13    1    5                                            
CONECT   23    2   18   26    6                                       
CONECT   24    3    3                                                 
CONECT   25    4    4                                                 
CONECT   26    2   23                                                 
CONECT   27   17   35                                                 
CONECT   28   14   55                                                 
CONECT   29   16   56                                                 
CONECT   30   15   57                                                 
CONECT   31   35   58                                                 
CONECT   32   35   59                                                 
CONECT   33   35   35                                                 
CONECT   34   18   18                                                 
CONECT   35   27   33   33   31                                       
CONECT   35   32                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
