HMDB0304775 RDKit 3D Alanyl-Histidine 30 30 0 0 0 0 0 0 0 0999 V2000 -3.6008 0.7872 0.6161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1183 -0.6089 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -1.1331 -0.7459 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 -0.6053 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0927 -1.8162 -0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 0.4485 -0.1241 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4631 0.3800 -0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 -0.1090 0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -0.3002 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -0.5661 1.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -0.7243 1.0238 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 -0.5620 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -0.3000 -0.6475 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 1.8110 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0290 2.1772 -1.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0975 2.8206 -0.6149 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0694 1.2126 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3969 0.6952 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 1.4179 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 -1.2244 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -0.9022 -1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -2.1395 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 -2.2258 -1.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5772 -0.2010 -1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.0925 0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 0.5435 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 -0.6448 2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 -0.6292 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -0.1537 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 3.6443 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 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