HMDB0000230 RDKit 3D N-Acetylneuraminic acid 40 40 0 0 0 0 0 0 0 0999 V2000 -1.0141 4.2332 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 2.9295 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7935 2.9435 -1.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9739 1.6907 0.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2534 0.4325 -0.0597 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2482 -0.3255 0.7808 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5349 0.0538 0.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 -1.8044 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7513 -2.3136 0.4313 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0298 -2.1603 1.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 -3.7574 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -4.1284 -0.8619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -4.7091 0.9209 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 -1.6126 -0.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0549 -0.3202 -0.1435 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0730 0.4816 -0.9127 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7635 0.5770 -2.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -0.0537 -0.7042 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7570 -0.1366 0.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 0.9931 -1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7516 0.6110 -1.0656 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8911 4.8974 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0007 4.1050 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 4.7041 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 1.7439 1.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 0.6178 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1661 -0.0009 1.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -0.1146 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 -2.2560 1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -2.2165 -0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4906 -2.1925 2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7703 -5.4132 1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 -0.3723 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 1.5185 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -0.2874 -2.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6177 -1.0332 -1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7347 -0.0119 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2257 1.9388 -0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1826 1.1162 -2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8606 -0.3671 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 1 9 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 15 5 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 6 6 27 1 1 7 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 13 32 1 0 15 33 1 1 16 34 1 1 17 35 1 0 18 36 1 6 19 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 M END