HMDB0028755 RDKit 3D Aspartyl-Histidine 33 33 0 0 0 0 0 0 0 0999 V2000 2.6007 -2.0505 -0.6975 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 -1.0186 0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 -0.1344 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1897 0.9917 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4878 2.0242 0.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 0.9393 1.5022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -0.2743 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4392 0.5581 1.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -0.4561 -0.3068 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9062 0.2748 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -0.7011 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3682 -0.1519 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 0.1915 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3534 0.6638 -0.3797 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 0.6146 0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 0.1239 1.2591 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 1.1416 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 1.1299 -2.3071 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 1.9761 -1.3494 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -2.2772 -1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -2.8905 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -1.4422 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6062 0.2327 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -0.7986 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1352 0.3607 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -1.1471 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9244 0.9350 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7968 -1.4357 0.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0443 -1.3425 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 0.1114 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 0.9338 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 -0.0260 2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1219 2.9436 -1.0299 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 2 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 10 17 1 0 17 18 2 0 17 19 1 0 16 12 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 6 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 13 30 1 0 15 31 1 0 16 32 1 0 19 33 1 0 M END