HMDB0002097
     RDKit          3D
4-Ethylbenzoic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
   -3.0951    0.6619    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2674   -0.5900    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475   -0.3832    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0479    0.0672    1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    0.2787    0.7870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8342    0.0367   -0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460    0.2596   -0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.0342   -1.9884 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1396    0.7122    0.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9421   -0.4123   -1.4364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946   -0.6228   -1.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7591    1.2583   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0959    1.3141    1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1312    0.3284    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3320   -0.8357    1.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7211   -1.4735    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2943    0.2640    2.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0988    0.6305    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4632    0.0084    0.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733   -0.6115   -2.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224   -0.9751   -1.8355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  2  0
 11  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
M  END