HMDB0258278 RDKit 3D sialosyl-Tn saccharide 67 68 0 0 0 0 0 0 0 0999 V2000 7.7310 1.3393 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8910 0.1316 0.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -0.9943 1.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 0.2439 0.6918 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6692 -0.9163 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 -0.8339 1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1134 0.4815 1.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 -1.5793 1.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7279 -0.7678 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 -1.6658 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 -1.1605 -1.6164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0316 -0.2766 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -0.1260 -2.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5646 0.6794 -2.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 -0.8899 -3.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6594 1.0921 -0.9531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 1.4141 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 2.6672 0.8554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 1.3273 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3099 2.4518 -0.2623 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1793 3.3321 0.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8413 4.5006 -0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3765 3.0939 1.6891 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0243 -0.0102 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8845 -0.7257 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1747 -1.0168 1.9739 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -1.9492 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2897 -1.6959 -0.8651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 -3.1056 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4086 -4.2383 -0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9881 -0.8070 -0.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -0.2182 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4154 -0.1945 -2.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0757 -1.0606 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8363 -2.3940 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3817 1.2234 1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 2.2360 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 1.4678 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0845 1.1764 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2788 -1.8340 0.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -1.3297 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7526 0.8848 2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -0.0015 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -2.3473 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -2.4096 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -1.8038 -3.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 1.8837 -1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.3484 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 0.7015 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4443 3.0004 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 1.3638 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 2.6988 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 4.4809 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4843 5.4556 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 4.5168 -1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6909 0.1705 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7164 -0.0286 1.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 -0.7988 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 -2.2967 1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6120 -0.7615 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 -2.9265 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -3.2177 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 -5.0430 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0997 0.8109 -0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 -1.1266 -2.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 -0.6236 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 -2.9989 -0.5992 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 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 2 0 19 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 24 31 1 0 9 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 5 1 0 31 12 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 22 53 1 0 22 54 1 0 22 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 29 62 1 0 30 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 35 67 1 0 M END