HMDB0256117 RDKit 3D beta-Alanyl-L-histidine 30 30 0 0 0 0 0 0 0 0999 V2000 -3.0276 -1.4360 -0.7624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5589 -1.4099 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -0.0223 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 0.6180 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 0.8226 -1.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 0.9729 0.8212 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 1.5971 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 0.7312 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.5592 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 -0.7738 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -2.0489 0.5785 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2866 -2.6523 0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -1.7207 -0.2131 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7839 2.9563 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 3.6295 -0.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 3.5679 -0.1859 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6343 -0.6167 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5183 -2.3376 -0.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -2.0630 0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 -1.7974 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 0.5909 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -0.1373 2.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 0.0695 -1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8543 1.7023 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 0.5231 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 1.2481 -1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -0.0320 0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -3.6948 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 -1.8781 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7196 4.1505 0.6023 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 4 6 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 7 14 1 0 14 15 2 0 14 16 1 0 13 9 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 16 30 1 0 M END