COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       6.264   2.410  -0.347  1.00  0.00           P  
HETATM    2  O   UNL     1       4.964   2.938  -1.136  1.00  0.00           O  
HETATM    3  O   UNL     1       6.865   3.601   0.554  1.00  0.00           O  
HETATM    4  O   UNL     1       5.852   1.175   0.600  1.00  0.00           O  
HETATM    5  C   UNL     1       5.384  -0.075   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1       5.084  -1.021   1.255  1.00  0.00           C  
HETATM    7  C   UNL     1       6.359  -1.248   2.069  1.00  0.00           C  
HETATM    8  C   UNL     1       4.010  -0.401   2.151  1.00  0.00           C  
HETATM    9  C   UNL     1       4.583  -2.359   0.709  1.00  0.00           C  
HETATM   10  O   UNL     1       5.630  -2.997  -0.025  1.00  0.00           O  
HETATM   11  C   UNL     1       3.405  -2.121  -0.200  1.00  0.00           C  
HETATM   12  O   UNL     1       3.530  -2.244  -1.400  1.00  0.00           O  
HETATM   13  N   UNL     1       2.211  -1.772   0.320  1.00  0.00           N  
HETATM   14  C   UNL     1       1.041  -1.646  -0.552  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.176  -1.242   0.284  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.380  -1.112  -0.613  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.275  -1.321  -1.803  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.573  -0.762  -0.093  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.743  -0.636  -0.965  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.960  -0.232  -0.129  1.00  0.00           C  
HETATM   21  S   UNL     1      -6.406  -0.075  -1.206  1.00  0.00           S  
HETATM   22  C   UNL     1      -7.590   0.371  -0.052  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.285   0.485   1.116  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.010   0.622  -0.488  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.844   0.996   0.710  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.337   1.054   1.805  1.00  0.00           O  
HETATM   27  O   UNL     1     -11.151   1.266   0.560  1.00  0.00           O  
HETATM   28  H   UNL     1       4.475   0.086  -0.490  1.00  0.00           H  
HETATM   29  H   UNL     1       6.149  -0.516  -0.548  1.00  0.00           H  
HETATM   30  H   UNL     1       6.666  -0.310   2.533  1.00  0.00           H  
HETATM   31  H   UNL     1       6.169  -1.991   2.843  1.00  0.00           H  
HETATM   32  H   UNL     1       7.152  -1.603   1.411  1.00  0.00           H  
HETATM   33  H   UNL     1       4.412   0.486   2.640  1.00  0.00           H  
HETATM   34  H   UNL     1       3.147  -0.123   1.546  1.00  0.00           H  
HETATM   35  H   UNL     1       3.705  -1.125   2.907  1.00  0.00           H  
HETATM   36  H   UNL     1       4.279  -2.999   1.538  1.00  0.00           H  
HETATM   37  H   UNL     1       5.951  -2.483  -0.779  1.00  0.00           H  
HETATM   38  H   UNL     1       2.128  -1.605   1.272  1.00  0.00           H  
HETATM   39  H   UNL     1       1.232  -0.884  -1.308  1.00  0.00           H  
HETATM   40  H   UNL     1       0.846  -2.601  -1.039  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.366  -2.003   1.040  1.00  0.00           H  
HETATM   42  H   UNL     1       0.019  -0.287   0.771  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.657  -0.595   0.859  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.553   0.126  -1.721  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.938  -1.591  -1.452  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.151  -0.993   0.627  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.765   0.723   0.358  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.030   1.435  -1.213  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.415  -0.282  -0.945  1.00  0.00           H  
HETATM   50  H   UNL     1       4.252   3.246  -0.559  1.00  0.00           H  
HETATM   51  H   UNL     1       7.135   4.379   0.047  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.645   1.502   1.357  1.00  0.00           H  
HETATM   53  O   UNL     1       7.285   1.964  -1.322  1.00  0.00           O  
CONECT    1    4    3    2   53                                       
CONECT    1   53                                                      
CONECT    2    1   50                                                 
CONECT    3    1   51                                                 
CONECT    4    1    5                                                 
CONECT    5    4   28    6   29                                       
CONECT    6    5    8    7    9                                       
CONECT    7    6   30   31   32                                       
CONECT    8    6   34   35   33                                       
CONECT    9    6   11   36   10                                       
CONECT   10    9   37                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   38                                            
CONECT   14   13   40   39   15                                       
CONECT   15   14   16   41   42                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   43                                            
CONECT   19   18   44   20   45                                       
CONECT   20   19   46   21   47                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   48   49                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   52                                                 
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52   27                                                      
CONECT   53    1    1                                                 
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
