HMDB0004110
     RDKit          3D
Phosphonoacetate
 13 12  0  0  0  0  0  0  0  0999 V2000
    1.6175    0.4155   -1.6206 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6641    0.0100   -0.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9001   -0.1905    0.1628 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662   -0.2785    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0754    0.0073   -0.4693 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.9185    0.2949   -1.9300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1255   -1.3382   -0.3399 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9278    1.3210    0.2146 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057    0.0750    1.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5135    0.4201    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -1.3065    0.8335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0629   -1.0333   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3397    1.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
  7 12  1  0
  8 13  1  0
M  END