HMDB0029410
     RDKit          3D
2-Acetyl-3-ethylpyrazine
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.2643   -1.1566    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7667   -0.1736   -0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6886    0.6940   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742    1.9889    0.1436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1076    2.8021    0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887    2.3076    0.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059    1.0257    0.3315 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5985    0.2277   -0.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9146   -1.1486   -0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3301   -1.6456   -0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -2.0034   -0.8219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5241   -2.1503   -0.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2173   -0.8126    0.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5420   -1.2154    1.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6497    0.5104   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122   -0.6838   -1.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    3.8401    0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    2.9310    0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755   -2.2170   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.8022   -0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458   -2.3185    0.6020 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
  8  9  1  0
  9 10  1  0
  9 11  2  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  5 17  1  0
  6 18  1  0
 10 19  1  0
 10 20  1  0
 10 21  1  0
M  END