HMDB0001176 RDKit 3D Cytidine 5'-monophosphate-N-acetylneuraminic acid 72 74 0 0 0 0 0 0 0 0999 V2000 -7.9558 1.8617 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9911 1.5620 -0.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5083 1.6806 -1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 1.2142 -0.4525 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4442 0.8668 -0.1461 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2991 1.6939 -0.7201 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2967 2.9823 -0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 1.0058 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 -0.1922 0.1272 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9737 -1.1444 -0.4487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -0.6406 -0.8013 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6472 0.7409 -1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 -1.6958 -2.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.7070 0.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 -0.9427 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -1.0012 1.1480 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1886 -1.2590 0.5867 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 -0.2891 0.9477 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1331 -0.0922 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4289 0.0328 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4614 0.2204 -0.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 0.2861 -1.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2066 0.4841 -2.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 0.1630 -2.2454 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 -0.0185 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7451 -0.1269 -1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2160 0.9667 1.1402 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8498 1.8828 1.9499 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0435 0.2992 1.8826 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4554 0.0898 3.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 0.1623 1.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3204 -0.4174 2.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 1.1621 2.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 -0.9038 0.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 -0.5691 -0.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1881 -1.5219 -0.4516 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1567 -1.0490 -1.3273 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 -1.7087 0.9293 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7329 -2.2091 1.7247 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8450 -2.7627 0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -2.2778 0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8712 1.0474 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9543 1.9666 0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5842 2.8173 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4033 1.1014 -1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.9317 0.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 1.8334 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2128 3.6737 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 1.7880 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 0.7466 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8223 -1.2303 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9557 -1.8132 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -0.0665 -0.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 -1.8337 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5531 -0.5002 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6735 -0.0181 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4961 0.3212 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 0.5414 -3.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1820 0.5699 -2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 1.3565 0.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2813 2.6740 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1254 0.8811 1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -0.8368 3.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 2.1084 2.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7198 -0.5207 -1.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 -2.4850 -0.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 -1.1929 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1676 -0.7564 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -2.8376 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4129 -3.6319 0.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1703 -3.1485 1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9644 -1.3150 0.2261 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 6 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 18 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 9 31 1 0 31 32 2 0 31 33 1 0 9 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 35 5 1 0 29 16 1 0 25 19 1 0 1 42 1 0 1 43 1 0 1 44 1 0 4 45 1 0 5 46 1 1 6 47 1 6 7 48 1 0 8 49 1 0 8 50 1 0 13 51 1 0 15 52 1 0 15 53 1 0 16 54 1 1 18 55 1 1 20 56 1 0 21 57 1 0 23 58 1 0 23 59 1 0 27 60 1 6 28 61 1 0 29 62 1 1 30 63 1 0 33 64 1 0 35 65 1 6 36 66 1 6 37 67 1 0 38 68 1 1 39 69 1 0 40 70 1 0 40 71 1 0 41 72 1 0 M END