HMDB0255617
     RDKit          3D
(4-Hydroxy-3-iodo-5-nitrophenyl)acetic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    2.9286   -0.3412   -1.5840 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -0.1221   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550    0.7501    0.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043   -0.8209    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344   -0.3301    0.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3452    1.0003    0.6537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9477    1.4100    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470    3.4363    0.9834 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9543    0.6053   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    1.1155   -0.1594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6539   -0.7055   -0.3331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -1.5485   -0.8235 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.5172   -2.5205   -1.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039   -1.2691   -0.4433 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3437   -1.1626   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.7664   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0113   -1.8933    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3352   -0.9029    1.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1323    1.6306    1.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3731    2.1043    0.0988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -2.2020   -0.4345 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
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 11 15  2  0
 15  5  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  6 19  1  0
 10 20  1  0
 15 21  1  0
M  CHG  2  12   1  14  -1
M  END