HMDB0000794 RDKit 3D N-Acetyl-9-O-acetylneuraminic acid 45 45 0 0 0 0 0 0 0 0999 V2000 0.1698 4.2433 -0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 2.8626 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 2.6100 -1.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6323 1.8873 -0.4695 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5491 0.5194 -0.9826 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6471 0.4966 -2.0772 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4156 -0.5301 -2.9882 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0269 0.3826 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -0.8615 -0.5779 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4619 -0.4961 0.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -1.8701 -1.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7022 -2.3369 -2.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 -2.3432 -0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -1.4269 -0.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8019 -0.5309 0.0265 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3084 -1.4402 0.3967 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3116 -2.4063 1.2623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4543 -0.8763 1.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0771 -0.2359 2.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -0.1311 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6574 0.0646 1.0512 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4578 -0.9717 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 -0.6322 2.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -2.1760 1.2381 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 4.6900 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 4.2310 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4228 4.9128 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 2.0934 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3688 0.3156 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6492 1.4412 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9634 -0.3199 -3.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7388 0.2560 -2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2614 1.2845 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 -1.1872 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 -3.2216 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2729 -0.1323 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -2.0153 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8385 -1.8509 1.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0004 -1.7988 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 -0.9041 2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.8487 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6689 -0.7588 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 -0.5220 1.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 0.3050 2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -1.4683 2.8941 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 21 22 1 0 22 23 1 0 22 24 2 0 15 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 6 7 31 1 0 8 32 1 0 8 33 1 0 10 34 1 0 13 35 1 0 15 36 1 1 16 37 1 6 17 38 1 0 18 39 1 1 19 40 1 0 20 41 1 0 20 42 1 0 23 43 1 0 23 44 1 0 23 45 1 0 M END