HMDB0040001 RDKit 3D Trimethylpropylpyrazine 28 28 0 0 0 0 0 0 0 0999 V2000 -4.0733 0.3615 0.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 0.2707 0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8349 0.0800 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 -0.0267 -0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4355 1.0527 -0.6316 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7656 1.0110 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 2.2076 -0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -0.1468 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -0.2471 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -1.2001 0.2164 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 -1.1889 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 -2.4334 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 -0.3008 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4943 1.3804 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 0.1056 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 1.2633 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3841 -0.5292 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 0.9550 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2099 -0.8076 -1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 2.0235 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 3.0868 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 2.4669 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 0.7344 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -0.9256 1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 -0.7843 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 -3.2492 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -2.7982 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5961 -2.3613 0.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 11 4 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 7 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 M END