HMDB0013267 RDKit 3D N-Decanoylglycine 39 38 0 0 0 0 0 0 0 0999 V2000 -6.5054 -0.4861 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4077 -1.3032 -0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0524 -0.9822 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7720 0.4806 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 0.9321 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 0.2011 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0434 0.7638 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2065 0.0800 -0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 0.6388 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -0.0173 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 -0.9139 -0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.3652 0.4427 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 -0.2794 -0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3465 0.2440 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2874 1.1535 1.4458 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5779 -0.2611 0.2364 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3836 -1.1401 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8684 0.3009 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2318 -0.0345 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3643 -1.0701 -1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6289 -2.3719 -0.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2966 -1.6571 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1756 -1.1838 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5739 1.0430 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8484 0.7728 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3418 2.0076 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 0.9303 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -0.8784 -0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 0.3786 -1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 0.7075 1.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 1.8640 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 0.1999 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 -0.9967 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 1.7462 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 0.4247 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 1.1094 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -0.1750 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0128 -1.3723 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6776 -1.2206 -0.0966 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 16 39 1 0 M END