HMDB0031861
     RDKit          3D
2-Acetylpyrazine
 15 15  0  0  0  0  0  0  0  0999 V2000
    2.4219   -0.2206    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3912    0.0396   -0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9444   -0.0951   -2.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613    0.3840   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803   -0.4565    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -0.5199    1.1049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5964    0.0229    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511    0.7247   -0.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    0.6995   -0.9006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0883    0.3153    1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5461   -1.3007    0.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.1553   -0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6307   -0.9090    0.8590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5034   -0.0588    1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2051    1.2192   -0.9392 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  7 14  1  0
  8 15  1  0
M  END