HMDB0040052
     RDKit          3D
2-Isopropyl-5-methoxypyrazine
 23 23  0  0  0  0  0  0  0  0999 V2000
    4.3455    0.1580   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739   -0.7765   -0.4311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407   -0.4802   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0646   -1.3723   -0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2229   -1.0360   -0.4579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172    0.1146    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493    0.4537    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7933    0.4518   -1.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6742   -0.5627    1.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    1.0029    0.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    0.6892    0.2901 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9752    0.5150   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9564   -0.3318    0.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8527    1.0508    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3411   -2.3369   -1.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609    1.4368    0.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7118    1.0791   -0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889    0.9091   -1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942   -0.5482   -1.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1420   -0.5904    2.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7071   -0.1873    1.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -1.5769    0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0525    1.9381    0.9094 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  1  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
  4 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
M  END