HMDB0028790 RDKit 3D Glutaminylalanine 30 29 0 0 0 0 0 0 0 0999 V2000 -3.7700 1.1204 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 0.2547 0.1386 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5203 0.2520 -0.2711 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4866 0.7387 0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8048 1.1788 1.6864 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 0.7391 0.1449 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7232 1.2931 1.2124 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 -0.6031 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8093 -0.6304 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7358 -0.3881 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 0.0819 0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 -0.5867 1.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -1.1219 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7259 -2.1114 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7553 -1.3900 0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9798 2.1105 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 0.6508 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 1.2753 -1.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 0.6844 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 -0.1147 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 1.4439 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 2.3357 1.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 1.1196 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 -1.4080 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.8916 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -1.5929 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 0.1621 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 0.6069 0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 -0.1353 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5329 -1.5699 -0.0194 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 1 3 20 1 0 6 21 1 6 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 15 30 1 0 M END