HMDB0000796 RDKit 3D N-Acetyl-4-O-acetylneuraminic acid 45 45 0 0 0 0 0 0 0 0999 V2000 -1.8260 3.7978 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 2.4451 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3704 2.1952 -1.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 1.4812 0.3481 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7091 0.1382 -0.1106 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1844 -0.9015 0.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4555 -0.6474 1.3848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.4986 2.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9537 -0.2276 3.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6443 -0.6010 3.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 -2.2177 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 -2.4540 -0.5493 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0348 -3.0062 0.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.5169 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -3.2760 -2.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 -4.7665 -1.5061 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7035 -1.3694 -1.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -0.2016 -0.4319 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3949 0.8560 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 2.0864 -0.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 0.4334 -1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4061 0.3145 -0.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6122 1.5439 -2.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9461 1.2438 -2.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 3.8050 1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 4.4621 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8342 4.3245 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3962 1.7330 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -0.0033 -1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -0.9659 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 -1.1771 3.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 0.2793 4.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 0.4511 2.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 -3.0813 0.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9448 -2.1781 -0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -3.7857 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2428 -5.0399 -0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3092 -0.3193 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9747 -2.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8208 1.9510 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9079 -0.5277 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7096 1.2165 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 2.4450 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 1.7068 -3.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 0.8782 -1.4746 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 7 8 1 0 8 9 1 0 8 10 2 0 6 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 18 5 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 6 6 30 1 1 9 31 1 0 9 32 1 0 9 33 1 0 11 34 1 0 11 35 1 0 13 36 1 0 16 37 1 0 18 38 1 1 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 M END