HMDB0303026
     RDKit          3D
2-Methylthio-3-isopropylpyrazine
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.6927   -1.8267    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064   -0.8915    1.5799 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9736    0.5894    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5751    1.7845    0.8439 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0896    2.8495    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090    2.7437   -0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6028    1.5452   -0.7725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302    0.4834   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8599   -0.8096   -0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -0.6841   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955   -0.8693    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -2.5465    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -1.1902   -0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223   -2.4376   -0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5740    3.8302    0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3946    3.6112   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -1.6858   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7176   -1.2933   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094   -1.0730   -2.3433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0443    0.4028   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4439    0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819    0.1610    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2804   -1.2496    1.8747 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  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END