HMDB0000833 RDKit 3D N-Glycolylneuraminic acid 41 41 0 0 0 0 0 0 0 0999 V2000 -2.6577 0.4759 -1.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0769 1.4567 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 2.8005 -1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 3.7971 -1.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 1.1748 -0.2904 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -0.1244 0.1913 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3709 -0.3305 1.6317 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6058 0.2572 1.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 -1.8312 1.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.3181 1.6203 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8096 -1.8308 2.6364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0222 -3.8030 1.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6118 -4.4078 2.5527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7428 -4.5571 0.7544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 -1.9710 0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5515 -0.5591 0.2074 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3561 -0.3338 -1.0183 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6235 -0.9175 -0.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 1.0886 -1.3773 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4903 1.0380 -2.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4065 1.8370 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 3.1226 -0.8457 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4505 3.0745 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 2.8670 -2.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 4.6129 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6911 2.0014 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4486 -0.8894 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 0.0691 2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -0.0911 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 -2.1177 2.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0819 -2.2380 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -2.3505 2.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 -4.8362 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0443 -0.1937 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9346 -0.8665 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4593 -1.9060 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 1.6734 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 0.6772 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 1.3981 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 1.9860 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 3.0656 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 1 10 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 16 6 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 6 7 28 1 1 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 14 33 1 0 16 34 1 1 17 35 1 6 18 36 1 0 19 37 1 6 20 38 1 0 21 39 1 0 21 40 1 0 22 41 1 0 M END