HMDB0004998 RDKit 3D Guaifenesin 28 28 0 0 0 0 0 0 0 0999 V2000 -2.9972 -2.3090 1.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8072 -1.6278 1.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -0.4568 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 0.0113 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 1.1522 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1944 1.8467 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 1.4036 -0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 0.2602 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 -0.1945 0.3183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5633 0.5336 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 -0.2206 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 -1.4900 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 0.5519 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0517 0.6654 -1.1846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8011 -3.2421 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5456 -2.5155 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -1.5908 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0403 -0.5548 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3212 1.4942 -1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2862 2.7456 -1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 1.9929 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 0.6295 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5619 1.5582 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -0.2652 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -1.9020 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8568 1.5821 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9052 0.1324 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2158 -0.1909 -1.6289 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 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 8 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 M END