HMDB0255167 RDKit 3D n-methacryloyl-l-histidine methyl ester 32 32 0 0 0 0 0 0 0 0999 V2000 4.8059 0.8980 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 0.1018 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 -1.3740 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 0.6711 -0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 1.9020 -0.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3067 -0.1809 -0.0801 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0563 0.3010 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6302 -0.4323 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -0.0490 -1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3888 0.9838 -2.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 1.0628 -2.6381 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 0.0992 -1.8377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1869 -0.5628 -1.3009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 0.0772 0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2649 -0.4632 1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 0.4461 1.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 0.2211 2.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7806 0.4394 0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 1.9552 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9349 -1.5180 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7433 -1.8933 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2168 -1.7177 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -1.2048 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0212 1.3926 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 -0.2934 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 -1.5131 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 1.6262 -3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -0.1039 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2304 -1.3753 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 0.8702 3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 0.4620 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -0.8282 2.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 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 16 17 1 0 13 9 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 6 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 17 30 1 0 17 31 1 0 17 32 1 0 M END