COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       4.055   1.145   5.302  1.00  0.00           P  
HETATM    2  O   UNL     1       3.214   1.493   6.495  1.00  0.00           O  
HETATM    3  O   UNL     1       4.751   2.400   4.556  1.00  0.00           O  
HETATM    4  O   UNL     1       3.269   0.379   4.111  1.00  0.00           O  
HETATM    5  N   UNL     1       1.818   1.923  -0.049  1.00  0.00           N  
HETATM    6  C   UNL     1       1.203   2.456  -1.146  1.00  0.00           C  
HETATM    7  N   UNL     1       0.738   1.764  -2.210  1.00  0.00           N  
HETATM    8  C   UNL     1       0.190   2.534  -3.125  1.00  0.00           C  
HETATM    9  N   UNL     1       0.107   3.940  -2.989  1.00  0.00           N  
HETATM   10  C   UNL     1       0.583   4.677  -1.895  1.00  0.00           C  
HETATM   11  O   UNL     1       0.512   5.893  -1.774  1.00  0.00           O  
HETATM   12  C   UNL     1       1.175   3.810  -0.914  1.00  0.00           C  
HETATM   13  N   UNL     1       1.746   4.138   0.279  1.00  0.00           N  
HETATM   14  C   UNL     1       2.125   2.978   0.779  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.342   2.024  -4.280  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.317   0.613  -4.531  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.879   0.244  -5.902  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.344   0.648  -6.059  1.00  0.00           C  
HETATM   19  S   UNL     1      -2.962   0.187  -7.705  1.00  0.00           S  
HETATM   20  C   UNL     1       3.487   0.064  -0.229  1.00  0.00           C  
HETATM   21  C   UNL     1       3.992   0.014   2.949  1.00  0.00           C  
HETATM   22  C   UNL     1       3.045  -0.686   1.985  1.00  0.00           C  
HETATM   23  O   UNL     1       2.007   0.248   1.620  1.00  0.00           O  
HETATM   24  C   UNL     1       2.101   0.516   0.211  1.00  0.00           C  
HETATM   25  C   UNL     1       3.731  -1.110   0.690  1.00  0.00           C  
HETATM   26  O   UNL     1       3.068  -2.251   0.150  1.00  0.00           O  
HETATM   27  O   UNL     1       5.299   0.157   5.608  1.00  0.00           O  
HETATM   28  H   UNL     1       5.237   3.061   5.094  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.333   4.457  -3.744  1.00  0.00           H  
HETATM   30  H   UNL     1       2.623   2.834   1.729  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.735   2.677  -4.912  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.872   0.120  -3.727  1.00  0.00           H  
HETATM   33  H   UNL     1       0.730   0.299  -4.466  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.270   0.715  -6.685  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.786  -0.843  -6.025  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.471   1.728  -5.941  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.964   0.149  -5.308  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.192  -0.900  -7.844  1.00  0.00           H  
HETATM   39  H   UNL     1       4.226   0.851  -0.038  1.00  0.00           H  
HETATM   40  H   UNL     1       3.511  -0.188  -1.294  1.00  0.00           H  
HETATM   41  H   UNL     1       4.402   0.913   2.485  1.00  0.00           H  
HETATM   42  H   UNL     1       4.806  -0.656   3.229  1.00  0.00           H  
HETATM   43  H   UNL     1       2.570  -1.532   2.493  1.00  0.00           H  
HETATM   44  H   UNL     1       1.311  -0.048  -0.296  1.00  0.00           H  
HETATM   45  H   UNL     1       4.787  -1.363   0.810  1.00  0.00           H  
HETATM   46  H   UNL     1       2.118  -2.059   0.184  1.00  0.00           H  
HETATM   47  H   UNL     1       5.887   0.356   6.367  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   27                                                      
CONECT    2    1    1                                                 
CONECT    3    1   28                                                 
CONECT    4    1   21                                                 
CONECT    5    6   14   24                                            
CONECT    6    5    7   12   12                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7    9   15                                       
CONECT    9    8   10   29                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    6    6   10   13                                       
CONECT   13   12   14   14                                            
CONECT   14    5   13   13   30                                       
CONECT   15    8   16   31                                            
CONECT   16   15   17   32   33                                       
CONECT   17   16   18   34   35                                       
CONECT   18   17   19   36   37                                       
CONECT   19   18   38                                                 
CONECT   20   24   25   39   40                                       
CONECT   21    4   22   41   42                                       
CONECT   22   21   23   25   43                                       
CONECT   23   22   24                                                 
CONECT   24    5   20   23   44                                       
CONECT   25   20   22   26   45                                       
CONECT   26   25   46                                                 
CONECT   27    1   47                                                 
CONECT   28    3                                                      
CONECT   29    9                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
