HMDB0001081 RDKit 3D (N-acetylneuraminosyl(a2-6)lactosamine) 88 90 0 0 0 0 0 0 0 0999 V2000 6.1608 -1.2045 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 -0.3564 2.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4058 0.2643 3.6681 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -0.1897 1.4359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 0.6453 1.0735 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2871 -0.2779 0.9868 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3134 0.2106 1.8745 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 -0.4866 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 0.4355 -1.4439 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9781 0.7611 -2.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -0.0389 -2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -1.1666 -2.4820 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5867 -0.7374 -1.6777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 -1.3347 -1.8860 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6672 -0.8812 -0.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1559 -1.9113 -0.0648 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6521 -1.7766 0.0699 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2773 -2.7507 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6756 -2.5752 0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9465 -0.4649 0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 0.0465 1.4961 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4583 0.0223 2.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1389 -0.4328 1.9755 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1307 0.6077 1.9066 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5274 1.1152 3.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 2.1994 2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8322 0.6896 4.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -1.6685 1.3482 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7509 -2.8197 2.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.8067 -3.2208 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5735 -1.2591 -3.5448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 -1.2662 -4.2633 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0091 -0.1824 -5.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1166 -1.9254 -3.7068 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1585 -1.9665 -4.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -0.0351 -2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 0.1533 -3.5646 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 -0.6406 -1.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 1.6248 -0.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6686 1.4916 -0.1295 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9807 2.9665 0.2944 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0056 3.6707 -0.9544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3290 3.1562 0.8597 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6007 2.6284 2.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 4.6795 1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 4.9843 1.3908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -1.8327 4.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 -0.5285 3.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 -1.8731 2.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1096 -0.7055 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 1.3306 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -1.2971 1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 -0.4264 2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -1.5645 -0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5732 -0.4268 -0.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8605 -0.4171 -3.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4868 0.6329 -3.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -1.9349 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -2.4217 -1.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 -2.9010 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -2.0057 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0448 -3.7746 0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 -2.5684 2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1484 -3.4447 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 1.1608 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2114 0.5705 2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -0.6673 3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 0.9570 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 2.2983 3.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 1.8997 2.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 3.1016 2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4959 -1.5805 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5997 -2.5602 3.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3533 0.3018 -3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -1.4398 -4.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 -2.0258 -4.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4757 -0.2066 -5.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3192 -2.9875 -3.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -2.8266 -4.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -1.1042 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5522 1.2188 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1994 3.3941 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8127 3.2654 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1567 2.8503 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 2.6588 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8451 5.0044 1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 5.2223 0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 4.4568 0.8696 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 23 28 1 0 28 29 1 0 14 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 9 36 1 0 36 37 2 0 36 38 1 0 9 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 40 5 1 0 34 12 1 0 28 16 1 0 1 47 1 0 1 48 1 0 1 49 1 0 4 50 1 0 5 51 1 1 6 52 1 1 7 53 1 0 8 54 1 0 8 55 1 0 11 56 1 0 11 57 1 0 12 58 1 1 14 59 1 6 16 60 1 6 17 61 1 6 18 62 1 0 18 63 1 0 19 64 1 0 21 65 1 6 22 66 1 0 23 67 1 1 24 68 1 0 26 69 1 0 26 70 1 0 26 71 1 0 28 72 1 6 29 73 1 0 30 74 1 1 31 75 1 0 32 76 1 6 33 77 1 0 34 78 1 1 35 79 1 0 38 80 1 0 40 81 1 6 41 82 1 1 42 83 1 0 43 84 1 6 44 85 1 0 45 86 1 0 45 87 1 0 46 88 1 0 M END