HMDB0028881 RDKit 3D Histidylaspartic acid 33 33 0 0 0 0 0 0 0 0999 V2000 2.1484 1.3334 -2.1501 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 0.3250 -1.6857 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8861 -0.7932 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6224 -0.4039 0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 0.8172 0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5863 0.6489 1.9346 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.6734 2.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.3262 1.0074 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 0.9150 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 2.1646 -0.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9275 0.0520 -0.4637 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 0.5109 0.2550 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3140 0.1483 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4206 -1.3008 -0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 -1.8328 -1.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 -2.0696 -0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -0.1554 1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 -0.9815 1.8986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 0.0861 2.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.2863 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 1.0556 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 -0.1267 -2.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 -1.3038 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 -1.5237 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 1.7295 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 1.4194 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -1.1354 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 -0.9660 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 1.6035 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2517 0.4993 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1778 0.6776 -1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0459 -2.3931 0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 0.7128 2.2111 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 7 8 2 0 2 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 2 0 17 19 1 0 8 4 1 0 1 20 1 0 1 21 1 0 2 22 1 6 3 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 11 28 1 0 12 29 1 1 13 30 1 0 13 31 1 0 16 32 1 0 19 33 1 0 M END